USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 17 SER OG : rot 83:sc= -0.0194 USER MOD Single : A 27 SER OG : rot 107:sc= 0.963 USER MOD Single : A 40 TYR OH : rot -176:sc= -0.527! USER MOD Single : A 42 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 46 MET CE :methyl 158:sc= -0.203 (180deg=-0.719) USER MOD Single : A 48 THR OG1 : rot 72:sc= 1.3 USER MOD Single : A 54 SER OG : rot 63:sc= 1.23 USER MOD Single : A 56 TYR OH : rot -159:sc= 1.21 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0936 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.658 USER MOD Single : A 79 ASN : amide:sc= 1.08 K(o=1.1,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 13.679 -4.210 2.151 1.00 0.80 N ATOM 45 CA LEU A 4 12.704 -3.445 1.467 1.00 0.65 C ATOM 46 C LEU A 4 11.323 -3.831 1.960 1.00 0.68 C ATOM 47 O LEU A 4 11.183 -4.703 2.841 1.00 0.86 O ATOM 48 CB LEU A 4 12.795 -3.747 -0.026 1.00 0.70 C ATOM 49 CG LEU A 4 13.862 -3.033 -0.877 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.811 -1.528 -0.714 1.00 0.70 C ATOM 51 CD2 LEU A 4 15.258 -3.567 -0.647 1.00 1.01 C ATOM 0 HA LEU A 4 12.877 -2.384 1.649 1.00 0.65 H new ATOM 0 HB2 LEU A 4 12.954 -4.820 -0.134 1.00 0.70 H new ATOM 0 HB3 LEU A 4 11.823 -3.523 -0.465 1.00 0.70 H new ATOM 0 HG LEU A 4 13.611 -3.259 -1.913 1.00 0.69 H new ATOM 0 HD11 LEU A 4 14.582 -1.069 -1.333 1.00 0.70 H new ATOM 0 HD12 LEU A 4 12.832 -1.162 -1.022 1.00 0.70 H new ATOM 0 HD13 LEU A 4 13.983 -1.269 0.331 1.00 0.70 H new ATOM 0 HD21 LEU A 4 15.964 -3.023 -1.275 1.00 1.01 H new ATOM 0 HD22 LEU A 4 15.529 -3.436 0.401 1.00 1.01 H new ATOM 0 HD23 LEU A 4 15.289 -4.627 -0.900 1.00 1.01 H new ATOM 63 N LEU A 5 10.320 -3.224 1.382 1.00 0.60 N ATOM 64 CA LEU A 5 8.949 -3.535 1.722 1.00 0.64 C ATOM 65 C LEU A 5 8.656 -4.850 1.018 1.00 0.59 C ATOM 66 O LEU A 5 8.946 -4.990 -0.181 1.00 0.61 O ATOM 67 CB LEU A 5 8.006 -2.429 1.197 1.00 0.69 C ATOM 68 CG LEU A 5 6.612 -2.256 1.865 1.00 0.90 C ATOM 69 CD1 LEU A 5 5.823 -1.213 1.131 1.00 1.61 C ATOM 70 CD2 LEU A 5 5.806 -3.535 1.925 1.00 1.54 C ATOM 0 H LEU A 5 10.425 -2.504 0.667 1.00 0.60 H new ATOM 0 HA LEU A 5 8.799 -3.603 2.799 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.533 -1.478 1.281 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.843 -2.611 0.135 1.00 0.69 H new ATOM 0 HG LEU A 5 6.802 -1.950 2.894 1.00 0.90 H new ATOM 0 HD11 LEU A 5 4.847 -1.096 1.603 1.00 1.61 H new ATOM 0 HD12 LEU A 5 6.358 -0.264 1.162 1.00 1.61 H new ATOM 0 HD13 LEU A 5 5.690 -1.521 0.094 1.00 1.61 H new ATOM 0 HD21 LEU A 5 4.846 -3.338 2.403 1.00 1.54 H new ATOM 0 HD22 LEU A 5 5.638 -3.907 0.914 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.352 -4.282 2.501 1.00 1.54 H new ATOM 82 N THR A 6 8.149 -5.805 1.741 1.00 0.61 N ATOM 83 CA THR A 6 7.900 -7.100 1.186 1.00 0.63 C ATOM 84 C THR A 6 6.416 -7.499 1.216 1.00 0.57 C ATOM 85 O THR A 6 5.571 -6.741 1.695 1.00 0.59 O ATOM 86 CB THR A 6 8.824 -8.152 1.828 1.00 0.79 C ATOM 87 OG1 THR A 6 9.019 -7.814 3.218 1.00 0.95 O ATOM 88 CG2 THR A 6 10.171 -8.182 1.125 1.00 0.97 C ATOM 0 H THR A 6 7.898 -5.708 2.725 1.00 0.61 H new ATOM 0 HA THR A 6 8.147 -7.052 0.125 1.00 0.63 H new ATOM 0 HB THR A 6 8.362 -9.135 1.737 1.00 0.79 H new ATOM 0 HG1 THR A 6 9.605 -8.479 3.637 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.809 -8.931 1.593 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.027 -8.433 0.074 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.644 -7.203 1.203 1.00 0.97 H new ATOM 96 N THR A 7 6.123 -8.691 0.752 1.00 0.60 N ATOM 97 CA THR A 7 4.766 -9.176 0.615 1.00 0.59 C ATOM 98 C THR A 7 4.121 -9.376 1.985 1.00 0.53 C ATOM 99 O THR A 7 3.055 -8.817 2.276 1.00 0.56 O ATOM 100 CB THR A 7 4.813 -10.519 -0.104 1.00 0.69 C ATOM 101 OG1 THR A 7 5.734 -10.423 -1.212 1.00 0.90 O ATOM 102 CG2 THR A 7 3.430 -10.861 -0.622 1.00 0.81 C ATOM 0 H THR A 7 6.830 -9.363 0.454 1.00 0.60 H new ATOM 0 HA THR A 7 4.179 -8.448 0.056 1.00 0.59 H new ATOM 0 HB THR A 7 5.142 -11.298 0.584 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.773 -11.283 -1.680 1.00 0.90 H new ATOM 0 HG21 THR A 7 3.461 -11.821 -1.137 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.733 -10.920 0.214 1.00 0.81 H new ATOM 0 HG23 THR A 7 3.100 -10.088 -1.316 1.00 0.81 H new ATOM 110 N ASP A 8 4.791 -10.161 2.819 1.00 0.54 N ATOM 111 CA ASP A 8 4.292 -10.527 4.152 1.00 0.54 C ATOM 112 C ASP A 8 4.130 -9.269 4.980 1.00 0.52 C ATOM 113 O ASP A 8 3.179 -9.110 5.749 1.00 0.54 O ATOM 114 CB ASP A 8 5.307 -11.452 4.830 1.00 0.63 C ATOM 115 CG ASP A 8 4.728 -12.244 5.974 1.00 1.48 C ATOM 116 OD1 ASP A 8 4.691 -11.763 7.111 1.00 1.98 O ATOM 117 OD2 ASP A 8 4.293 -13.398 5.728 1.00 2.26 O ATOM 0 H ASP A 8 5.700 -10.567 2.596 1.00 0.54 H new ATOM 0 HA ASP A 8 3.333 -11.037 4.064 1.00 0.54 H new ATOM 0 HB2 ASP A 8 5.710 -12.142 4.088 1.00 0.63 H new ATOM 0 HB3 ASP A 8 6.142 -10.855 5.197 1.00 0.63 H new ATOM 122 N ASP A 9 5.049 -8.355 4.739 1.00 0.57 N ATOM 123 CA ASP A 9 5.099 -7.071 5.406 1.00 0.64 C ATOM 124 C ASP A 9 3.898 -6.211 5.036 1.00 0.59 C ATOM 125 O ASP A 9 3.213 -5.668 5.922 1.00 0.63 O ATOM 126 CB ASP A 9 6.383 -6.344 5.045 1.00 0.79 C ATOM 127 CG ASP A 9 6.481 -4.993 5.701 1.00 1.60 C ATOM 128 OD1 ASP A 9 6.402 -4.928 6.929 1.00 1.70 O ATOM 129 OD2 ASP A 9 6.687 -3.992 4.994 1.00 2.47 O ATOM 0 H ASP A 9 5.798 -8.488 4.059 1.00 0.57 H new ATOM 0 HA ASP A 9 5.074 -7.250 6.481 1.00 0.64 H new ATOM 0 HB2 ASP A 9 7.237 -6.952 5.342 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.438 -6.224 3.963 1.00 0.79 H new ATOM 134 N LEU A 10 3.614 -6.117 3.729 1.00 0.54 N ATOM 135 CA LEU A 10 2.490 -5.315 3.267 1.00 0.54 C ATOM 136 C LEU A 10 1.188 -5.819 3.846 1.00 0.53 C ATOM 137 O LEU A 10 0.328 -5.026 4.197 1.00 0.59 O ATOM 138 CB LEU A 10 2.349 -5.267 1.744 1.00 0.55 C ATOM 139 CG LEU A 10 1.185 -4.371 1.263 1.00 0.59 C ATOM 140 CD1 LEU A 10 1.483 -2.897 1.498 1.00 0.70 C ATOM 141 CD2 LEU A 10 0.822 -4.635 -0.173 1.00 0.65 C ATOM 0 H LEU A 10 4.142 -6.581 2.990 1.00 0.54 H new ATOM 0 HA LEU A 10 2.705 -4.305 3.616 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.281 -4.903 1.312 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.198 -6.279 1.368 1.00 0.55 H new ATOM 0 HG LEU A 10 0.315 -4.633 1.864 1.00 0.59 H new ATOM 0 HD11 LEU A 10 0.644 -2.296 1.148 1.00 0.70 H new ATOM 0 HD12 LEU A 10 1.636 -2.722 2.563 1.00 0.70 H new ATOM 0 HD13 LEU A 10 2.383 -2.616 0.951 1.00 0.70 H new ATOM 0 HD21 LEU A 10 -0.000 -3.982 -0.466 1.00 0.65 H new ATOM 0 HD22 LEU A 10 1.685 -4.439 -0.809 1.00 0.65 H new ATOM 0 HD23 LEU A 10 0.517 -5.675 -0.286 1.00 0.65 H new ATOM 153 N ARG A 11 1.065 -7.143 3.965 1.00 0.49 N ATOM 154 CA ARG A 11 -0.145 -7.771 4.481 1.00 0.50 C ATOM 155 C ARG A 11 -0.511 -7.166 5.839 1.00 0.54 C ATOM 156 O ARG A 11 -1.654 -6.819 6.079 1.00 0.63 O ATOM 157 CB ARG A 11 0.050 -9.288 4.607 1.00 0.51 C ATOM 158 CG ARG A 11 -1.216 -10.080 4.935 1.00 0.61 C ATOM 159 CD ARG A 11 -0.901 -11.557 5.122 1.00 0.72 C ATOM 160 NE ARG A 11 -0.043 -11.757 6.290 1.00 0.96 N ATOM 161 CZ ARG A 11 1.188 -12.254 6.276 1.00 1.24 C ATOM 162 NH1 ARG A 11 1.648 -12.903 5.212 1.00 1.65 N ATOM 163 NH2 ARG A 11 1.926 -12.183 7.367 1.00 1.80 N ATOM 0 H ARG A 11 1.799 -7.803 3.707 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.961 -7.586 3.782 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.463 -9.664 3.671 1.00 0.51 H new ATOM 0 HB3 ARG A 11 0.791 -9.480 5.383 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.672 -9.684 5.842 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.944 -9.958 4.133 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.827 -12.119 5.244 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -0.407 -11.945 4.231 1.00 0.72 H new ATOM 0 HE ARG A 11 -0.425 -11.490 7.197 1.00 0.96 H new ATOM 0 HH11 ARG A 11 1.053 -13.025 4.392 1.00 1.65 H new ATOM 0 HH12 ARG A 11 2.596 -13.280 5.215 1.00 1.65 H new ATOM 0 HH21 ARG A 11 1.550 -11.750 8.210 1.00 1.80 H new ATOM 0 HH22 ARG A 11 2.873 -12.562 7.368 1.00 1.80 H new ATOM 177 N ARG A 12 0.488 -6.982 6.684 1.00 0.54 N ATOM 178 CA ARG A 12 0.277 -6.411 8.003 1.00 0.60 C ATOM 179 C ARG A 12 -0.095 -4.936 7.906 1.00 0.58 C ATOM 180 O ARG A 12 -1.148 -4.521 8.398 1.00 0.66 O ATOM 181 CB ARG A 12 1.521 -6.562 8.878 1.00 0.68 C ATOM 182 CG ARG A 12 1.913 -8.004 9.148 1.00 0.80 C ATOM 183 CD ARG A 12 3.144 -8.107 10.041 1.00 0.96 C ATOM 184 NE ARG A 12 2.940 -7.488 11.364 1.00 1.50 N ATOM 185 CZ ARG A 12 3.792 -7.583 12.403 1.00 2.02 C ATOM 186 NH1 ARG A 12 4.792 -8.465 12.375 1.00 2.23 N ATOM 187 NH2 ARG A 12 3.574 -6.864 13.496 1.00 2.93 N ATOM 0 H ARG A 12 1.458 -7.221 6.479 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.546 -6.959 8.462 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.356 -6.053 8.396 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.347 -6.059 9.829 1.00 0.68 H new ATOM 0 HG2 ARG A 12 1.079 -8.523 9.620 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.109 -8.509 8.202 1.00 0.80 H new ATOM 0 HD2 ARG A 12 3.406 -9.157 10.172 1.00 0.96 H new ATOM 0 HD3 ARG A 12 3.988 -7.627 9.546 1.00 0.96 H new ATOM 0 HE ARG A 12 2.087 -6.946 11.503 1.00 1.50 H new ATOM 0 HH11 ARG A 12 4.914 -9.072 11.564 1.00 2.23 H new ATOM 0 HH12 ARG A 12 5.434 -8.533 13.164 1.00 2.23 H new ATOM 0 HH21 ARG A 12 2.765 -6.244 13.546 1.00 2.93 H new ATOM 0 HH22 ARG A 12 4.215 -6.931 14.287 1.00 2.93 H new ATOM 201 N ALA A 13 0.740 -4.164 7.223 1.00 0.54 N ATOM 202 CA ALA A 13 0.567 -2.712 7.137 1.00 0.58 C ATOM 203 C ALA A 13 -0.723 -2.303 6.426 1.00 0.56 C ATOM 204 O ALA A 13 -1.312 -1.253 6.738 1.00 0.65 O ATOM 205 CB ALA A 13 1.768 -2.073 6.472 1.00 0.66 C ATOM 0 H ALA A 13 1.551 -4.518 6.716 1.00 0.54 H new ATOM 0 HA ALA A 13 0.485 -2.347 8.161 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.622 -0.994 6.417 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.664 -2.289 7.054 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.884 -2.476 5.466 1.00 0.66 H new ATOM 211 N LEU A 14 -1.151 -3.115 5.479 1.00 0.53 N ATOM 212 CA LEU A 14 -2.368 -2.867 4.729 1.00 0.59 C ATOM 213 C LEU A 14 -3.554 -2.959 5.685 1.00 0.75 C ATOM 214 O LEU A 14 -4.405 -2.057 5.739 1.00 1.02 O ATOM 215 CB LEU A 14 -2.495 -3.900 3.594 1.00 0.54 C ATOM 216 CG LEU A 14 -3.546 -3.622 2.519 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.226 -2.332 1.786 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.630 -4.778 1.537 1.00 1.06 C ATOM 0 H LEU A 14 -0.663 -3.968 5.207 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.345 -1.873 4.281 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.525 -3.987 3.105 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.715 -4.869 4.041 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.514 -3.515 3.008 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -3.984 -2.149 1.024 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.216 -1.504 2.495 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.248 -2.416 1.312 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -4.384 -4.559 0.781 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.662 -4.917 1.055 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.904 -5.689 2.070 1.00 1.06 H new ATOM 230 N VAL A 15 -3.560 -4.026 6.489 1.00 0.71 N ATOM 231 CA VAL A 15 -4.593 -4.261 7.502 1.00 0.83 C ATOM 232 C VAL A 15 -4.645 -3.096 8.495 1.00 0.85 C ATOM 233 O VAL A 15 -5.725 -2.610 8.836 1.00 0.98 O ATOM 234 CB VAL A 15 -4.325 -5.598 8.266 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.291 -5.775 9.429 1.00 1.02 C ATOM 236 CG2 VAL A 15 -4.463 -6.778 7.326 1.00 0.91 C ATOM 0 H VAL A 15 -2.846 -4.754 6.456 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.554 -4.336 6.993 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.309 -5.553 8.657 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -5.078 -6.714 9.939 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.174 -4.947 10.128 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.314 -5.790 9.053 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -4.274 -7.702 7.872 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -5.472 -6.800 6.915 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.742 -6.682 6.514 1.00 0.91 H new ATOM 246 N GLU A 16 -3.474 -2.657 8.946 1.00 0.81 N ATOM 247 CA GLU A 16 -3.358 -1.544 9.888 1.00 0.87 C ATOM 248 C GLU A 16 -3.997 -0.278 9.328 1.00 0.89 C ATOM 249 O GLU A 16 -4.650 0.472 10.054 1.00 1.05 O ATOM 250 CB GLU A 16 -1.892 -1.234 10.186 1.00 0.91 C ATOM 251 CG GLU A 16 -1.087 -2.398 10.700 1.00 1.00 C ATOM 252 CD GLU A 16 0.311 -1.994 11.078 1.00 1.30 C ATOM 253 OE1 GLU A 16 0.537 -1.503 12.196 1.00 1.90 O ATOM 254 OE2 GLU A 16 1.210 -2.150 10.254 1.00 1.91 O ATOM 0 H GLU A 16 -2.579 -3.061 8.670 1.00 0.81 H new ATOM 0 HA GLU A 16 -3.873 -1.848 10.799 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -1.423 -0.861 9.276 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -1.848 -0.429 10.920 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -1.587 -2.829 11.567 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -1.046 -3.175 9.937 1.00 1.00 H new ATOM 261 N SER A 17 -3.835 -0.078 8.043 1.00 0.82 N ATOM 262 CA SER A 17 -4.271 1.131 7.392 1.00 0.93 C ATOM 263 C SER A 17 -5.746 1.108 6.999 1.00 1.03 C ATOM 264 O SER A 17 -6.306 2.144 6.585 1.00 1.22 O ATOM 265 CB SER A 17 -3.390 1.386 6.199 1.00 0.96 C ATOM 266 OG SER A 17 -2.023 1.431 6.617 1.00 1.58 O ATOM 0 H SER A 17 -3.395 -0.753 7.417 1.00 0.82 H new ATOM 0 HA SER A 17 -4.178 1.949 8.107 1.00 0.93 H new ATOM 0 HB2 SER A 17 -3.529 0.600 5.456 1.00 0.96 H new ATOM 0 HB3 SER A 17 -3.667 2.327 5.723 1.00 0.96 H new ATOM 0 HG SER A 17 -1.669 0.519 6.677 1.00 1.58 H new ATOM 351 N ASP A 25 -10.497 -10.717 3.881 1.00 1.06 N ATOM 352 CA ASP A 25 -9.430 -11.648 4.173 1.00 1.14 C ATOM 353 C ASP A 25 -8.290 -11.318 3.259 1.00 0.91 C ATOM 354 O ASP A 25 -8.516 -10.826 2.150 1.00 1.11 O ATOM 355 CB ASP A 25 -9.840 -13.126 4.016 1.00 1.52 C ATOM 356 CG ASP A 25 -8.694 -14.066 4.366 1.00 1.99 C ATOM 357 OD1 ASP A 25 -8.421 -14.294 5.572 1.00 2.49 O ATOM 358 OD2 ASP A 25 -8.017 -14.547 3.466 1.00 2.41 O ATOM 0 HA ASP A 25 -9.151 -11.540 5.221 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -10.694 -13.337 4.659 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -10.161 -13.308 2.990 1.00 1.52 H new ATOM 363 N LEU A 26 -7.092 -11.527 3.716 1.00 0.84 N ATOM 364 CA LEU A 26 -5.927 -11.167 2.956 1.00 0.77 C ATOM 365 C LEU A 26 -4.906 -12.302 3.073 1.00 0.86 C ATOM 366 O LEU A 26 -3.699 -12.100 2.937 1.00 1.05 O ATOM 367 CB LEU A 26 -5.365 -9.864 3.558 1.00 0.94 C ATOM 368 CG LEU A 26 -4.445 -9.032 2.670 1.00 0.85 C ATOM 369 CD1 LEU A 26 -5.220 -8.477 1.479 1.00 1.22 C ATOM 370 CD2 LEU A 26 -3.813 -7.909 3.469 1.00 1.11 C ATOM 0 H LEU A 26 -6.892 -11.950 4.622 1.00 0.84 H new ATOM 0 HA LEU A 26 -6.160 -11.012 1.903 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -6.206 -9.238 3.855 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -4.820 -10.118 4.467 1.00 0.94 H new ATOM 0 HG LEU A 26 -3.648 -9.673 2.293 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -4.551 -7.885 0.854 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -5.629 -9.301 0.895 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -6.035 -7.847 1.837 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -3.159 -7.325 2.821 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -4.594 -7.265 3.872 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -3.230 -8.329 4.289 1.00 1.11 H new ATOM 382 N SER A 27 -5.402 -13.499 3.293 1.00 0.96 N ATOM 383 CA SER A 27 -4.555 -14.638 3.522 1.00 1.13 C ATOM 384 C SER A 27 -4.293 -15.375 2.204 1.00 1.20 C ATOM 385 O SER A 27 -5.225 -15.842 1.546 1.00 1.66 O ATOM 386 CB SER A 27 -5.240 -15.573 4.530 1.00 1.36 C ATOM 387 OG SER A 27 -5.733 -14.836 5.654 1.00 1.89 O ATOM 0 H SER A 27 -6.401 -13.705 3.317 1.00 0.96 H new ATOM 0 HA SER A 27 -3.597 -14.308 3.924 1.00 1.13 H new ATOM 0 HB2 SER A 27 -6.063 -16.098 4.045 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.533 -16.331 4.868 1.00 1.36 H new ATOM 0 HG SER A 27 -6.710 -14.779 5.605 1.00 1.89 H new ATOM 393 N GLY A 28 -3.049 -15.456 1.809 1.00 1.48 N ATOM 394 CA GLY A 28 -2.726 -16.172 0.607 1.00 1.67 C ATOM 395 C GLY A 28 -2.157 -15.267 -0.445 1.00 1.54 C ATOM 396 O GLY A 28 -1.248 -14.466 -0.162 1.00 2.30 O ATOM 0 H GLY A 28 -2.254 -15.041 2.295 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -2.008 -16.960 0.835 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -3.622 -16.659 0.222 1.00 1.67 H new ATOM 400 N ASP A 29 -2.669 -15.362 -1.644 1.00 1.09 N ATOM 401 CA ASP A 29 -2.157 -14.561 -2.730 1.00 1.07 C ATOM 402 C ASP A 29 -3.011 -13.341 -2.912 1.00 0.87 C ATOM 403 O ASP A 29 -4.032 -13.366 -3.591 1.00 1.13 O ATOM 404 CB ASP A 29 -2.053 -15.341 -4.034 1.00 1.48 C ATOM 405 CG ASP A 29 -1.473 -14.500 -5.153 1.00 2.24 C ATOM 406 OD1 ASP A 29 -0.279 -14.152 -5.083 1.00 2.56 O ATOM 407 OD2 ASP A 29 -2.182 -14.218 -6.130 1.00 2.97 O ATOM 0 H ASP A 29 -3.438 -15.983 -1.895 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.144 -14.260 -2.463 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -1.429 -16.221 -3.881 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -3.042 -15.697 -4.323 1.00 1.48 H new ATOM 412 N PHE A 30 -2.629 -12.298 -2.255 1.00 0.67 N ATOM 413 CA PHE A 30 -3.367 -11.064 -2.316 1.00 0.57 C ATOM 414 C PHE A 30 -2.695 -10.085 -3.264 1.00 0.49 C ATOM 415 O PHE A 30 -3.108 -8.949 -3.387 1.00 0.48 O ATOM 416 CB PHE A 30 -3.524 -10.460 -0.908 1.00 0.59 C ATOM 417 CG PHE A 30 -2.224 -10.078 -0.230 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.456 -11.041 0.406 1.00 0.64 C ATOM 419 CD2 PHE A 30 -1.781 -8.766 -0.233 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.275 -10.703 1.028 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.600 -8.422 0.390 1.00 0.65 C ATOM 422 CZ PHE A 30 0.158 -9.370 1.000 1.00 0.73 C ATOM 0 H PHE A 30 -1.801 -12.268 -1.660 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.364 -11.273 -2.705 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.155 -9.574 -0.977 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.049 -11.177 -0.277 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.788 -12.069 0.414 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.366 -8.005 -0.728 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.312 -11.457 1.532 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.275 -7.392 0.393 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.094 -9.097 1.463 1.00 0.73 H new ATOM 432 N LEU A 31 -1.676 -10.556 -3.967 1.00 0.54 N ATOM 433 CA LEU A 31 -0.916 -9.728 -4.884 1.00 0.60 C ATOM 434 C LEU A 31 -1.748 -9.391 -6.100 1.00 0.63 C ATOM 435 O LEU A 31 -1.657 -8.293 -6.652 1.00 0.72 O ATOM 436 CB LEU A 31 0.395 -10.420 -5.313 1.00 0.75 C ATOM 437 CG LEU A 31 1.494 -10.601 -4.247 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.828 -9.278 -3.568 1.00 0.75 C ATOM 439 CD2 LEU A 31 1.145 -11.691 -3.232 1.00 1.43 C ATOM 0 H LEU A 31 -1.355 -11.523 -3.916 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.656 -8.807 -4.363 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.141 -11.406 -5.703 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.820 -9.850 -6.139 1.00 0.75 H new ATOM 0 HG LEU A 31 2.391 -10.940 -4.766 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.606 -9.438 -2.822 1.00 0.75 H new ATOM 0 HD12 LEU A 31 2.181 -8.566 -4.313 1.00 0.75 H new ATOM 0 HD13 LEU A 31 0.936 -8.883 -3.083 1.00 0.75 H new ATOM 0 HD21 LEU A 31 1.950 -11.780 -2.503 1.00 1.43 H new ATOM 0 HD22 LEU A 31 0.219 -11.429 -2.720 1.00 1.43 H new ATOM 0 HD23 LEU A 31 1.017 -12.642 -3.749 1.00 1.43 H new ATOM 451 N ASP A 32 -2.573 -10.333 -6.488 1.00 0.66 N ATOM 452 CA ASP A 32 -3.459 -10.193 -7.624 1.00 0.83 C ATOM 453 C ASP A 32 -4.879 -9.911 -7.156 1.00 0.73 C ATOM 454 O ASP A 32 -5.857 -10.160 -7.875 1.00 0.96 O ATOM 455 CB ASP A 32 -3.408 -11.454 -8.501 1.00 1.10 C ATOM 456 CG ASP A 32 -2.115 -11.572 -9.284 1.00 1.70 C ATOM 457 OD1 ASP A 32 -1.119 -12.070 -8.723 1.00 2.33 O ATOM 458 OD2 ASP A 32 -2.069 -11.204 -10.498 1.00 2.26 O ATOM 0 H ASP A 32 -2.651 -11.234 -6.017 1.00 0.66 H new ATOM 0 HA ASP A 32 -3.126 -9.348 -8.227 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -3.527 -12.335 -7.870 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -4.248 -11.443 -9.195 1.00 1.10 H new ATOM 463 N LEU A 33 -4.984 -9.378 -5.956 1.00 0.50 N ATOM 464 CA LEU A 33 -6.250 -8.979 -5.375 1.00 0.50 C ATOM 465 C LEU A 33 -6.266 -7.454 -5.375 1.00 0.50 C ATOM 466 O LEU A 33 -5.332 -6.832 -4.908 1.00 0.78 O ATOM 467 CB LEU A 33 -6.374 -9.564 -3.954 1.00 0.49 C ATOM 468 CG LEU A 33 -7.689 -9.340 -3.209 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.858 -9.914 -3.999 1.00 0.77 C ATOM 470 CD2 LEU A 33 -7.616 -9.988 -1.831 1.00 0.70 C ATOM 0 H LEU A 33 -4.182 -9.207 -5.349 1.00 0.50 H new ATOM 0 HA LEU A 33 -7.102 -9.355 -5.942 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -6.202 -10.639 -4.017 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.569 -9.148 -3.348 1.00 0.49 H new ATOM 0 HG LEU A 33 -7.848 -8.268 -3.093 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.785 -9.744 -3.452 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.916 -9.424 -4.971 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.711 -10.985 -4.140 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -8.556 -9.826 -1.303 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.441 -11.058 -1.941 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -6.799 -9.543 -1.263 1.00 0.70 H new ATOM 482 N ARG A 34 -7.297 -6.865 -5.906 1.00 0.34 N ATOM 483 CA ARG A 34 -7.298 -5.431 -6.162 1.00 0.37 C ATOM 484 C ARG A 34 -7.945 -4.630 -5.035 1.00 0.35 C ATOM 485 O ARG A 34 -8.846 -5.120 -4.346 1.00 0.40 O ATOM 486 CB ARG A 34 -7.990 -5.148 -7.497 1.00 0.45 C ATOM 487 CG ARG A 34 -7.361 -5.895 -8.675 1.00 0.60 C ATOM 488 CD ARG A 34 -8.111 -5.643 -9.965 1.00 1.01 C ATOM 489 NE ARG A 34 -8.072 -4.235 -10.357 1.00 1.74 N ATOM 490 CZ ARG A 34 -9.132 -3.429 -10.429 1.00 2.51 C ATOM 491 NH1 ARG A 34 -10.347 -3.905 -10.200 1.00 2.74 N ATOM 492 NH2 ARG A 34 -8.967 -2.156 -10.761 1.00 3.50 N ATOM 0 H ARG A 34 -8.156 -7.345 -6.175 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.259 -5.105 -6.211 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.041 -5.425 -7.419 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -7.957 -4.077 -7.696 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -6.323 -5.583 -8.791 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -7.350 -6.964 -8.464 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -7.680 -6.252 -10.759 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -9.148 -5.958 -9.849 1.00 1.01 H new ATOM 0 HE ARG A 34 -7.163 -3.838 -10.594 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -10.473 -4.890 -9.968 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -11.156 -3.286 -10.256 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -8.033 -1.798 -10.960 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -9.774 -1.535 -10.818 1.00 3.50 H new ATOM 506 N PHE A 35 -7.511 -3.372 -4.890 1.00 0.36 N ATOM 507 CA PHE A 35 -7.980 -2.476 -3.821 1.00 0.39 C ATOM 508 C PHE A 35 -9.480 -2.208 -3.865 1.00 0.47 C ATOM 509 O PHE A 35 -10.101 -2.007 -2.826 1.00 0.54 O ATOM 510 CB PHE A 35 -7.209 -1.151 -3.819 1.00 0.41 C ATOM 511 CG PHE A 35 -5.751 -1.293 -3.486 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.343 -1.471 -2.176 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.792 -1.247 -4.479 1.00 0.42 C ATOM 514 CE1 PHE A 35 -4.005 -1.603 -1.864 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.452 -1.378 -4.173 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.059 -1.556 -2.863 1.00 0.47 C ATOM 0 H PHE A 35 -6.824 -2.944 -5.511 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.780 -3.008 -2.891 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.303 -0.686 -4.800 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.671 -0.475 -3.100 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.081 -1.507 -1.388 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.094 -1.107 -5.506 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.701 -1.743 -0.837 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.712 -1.341 -4.959 1.00 0.47 H new ATOM 0 HZ PHE A 35 -2.011 -1.658 -2.621 1.00 0.47 H new ATOM 526 N GLU A 36 -10.055 -2.222 -5.056 1.00 0.57 N ATOM 527 CA GLU A 36 -11.491 -1.972 -5.222 1.00 0.76 C ATOM 528 C GLU A 36 -12.296 -3.076 -4.541 1.00 0.74 C ATOM 529 O GLU A 36 -13.293 -2.817 -3.859 1.00 0.87 O ATOM 530 CB GLU A 36 -11.866 -1.953 -6.701 1.00 0.97 C ATOM 531 CG GLU A 36 -11.079 -0.982 -7.564 1.00 1.31 C ATOM 532 CD GLU A 36 -11.576 -0.971 -8.993 1.00 1.56 C ATOM 533 OE1 GLU A 36 -12.088 -2.018 -9.473 1.00 2.06 O ATOM 534 OE2 GLU A 36 -11.434 0.055 -9.680 1.00 1.81 O ATOM 0 H GLU A 36 -9.556 -2.403 -5.927 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.717 -1.005 -4.772 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -11.735 -2.957 -7.104 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -12.925 -1.711 -6.786 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -11.155 0.021 -7.145 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -10.024 -1.255 -7.548 1.00 1.31 H new ATOM 541 N ASP A 37 -11.800 -4.290 -4.690 1.00 0.66 N ATOM 542 CA ASP A 37 -12.455 -5.494 -4.196 1.00 0.73 C ATOM 543 C ASP A 37 -12.354 -5.537 -2.682 1.00 0.73 C ATOM 544 O ASP A 37 -13.309 -5.877 -1.978 1.00 0.89 O ATOM 545 CB ASP A 37 -11.758 -6.725 -4.809 1.00 0.75 C ATOM 546 CG ASP A 37 -12.494 -8.037 -4.601 1.00 1.29 C ATOM 547 OD1 ASP A 37 -12.450 -8.615 -3.503 1.00 2.20 O ATOM 548 OD2 ASP A 37 -13.096 -8.546 -5.569 1.00 1.28 O ATOM 0 H ASP A 37 -10.916 -4.474 -5.165 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.508 -5.494 -4.479 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -11.632 -6.560 -5.879 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -10.760 -6.812 -4.380 1.00 0.75 H new ATOM 553 N ILE A 38 -11.200 -5.127 -2.178 1.00 0.63 N ATOM 554 CA ILE A 38 -10.945 -5.139 -0.745 1.00 0.68 C ATOM 555 C ILE A 38 -11.375 -3.835 -0.038 1.00 0.68 C ATOM 556 O ILE A 38 -11.055 -3.610 1.123 1.00 0.73 O ATOM 557 CB ILE A 38 -9.480 -5.541 -0.395 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.465 -4.594 -1.060 1.00 0.55 C ATOM 559 CG2 ILE A 38 -9.231 -6.975 -0.834 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.003 -4.919 -0.759 1.00 0.64 C ATOM 0 H ILE A 38 -10.423 -4.781 -2.741 1.00 0.63 H new ATOM 0 HA ILE A 38 -11.587 -5.924 -0.346 1.00 0.68 H new ATOM 0 HB ILE A 38 -9.347 -5.461 0.684 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.615 -4.621 -2.139 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.672 -3.574 -0.735 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -8.207 -7.258 -0.590 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.924 -7.639 -0.317 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.384 -7.058 -1.910 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.359 -4.202 -1.268 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.832 -4.862 0.316 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.774 -5.925 -1.110 1.00 0.64 H new ATOM 572 N GLY A 39 -12.162 -3.029 -0.740 1.00 0.69 N ATOM 573 CA GLY A 39 -12.765 -1.829 -0.166 1.00 0.77 C ATOM 574 C GLY A 39 -11.804 -0.719 0.242 1.00 0.65 C ATOM 575 O GLY A 39 -12.014 -0.066 1.284 1.00 0.74 O ATOM 0 H GLY A 39 -12.400 -3.186 -1.719 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.471 -1.421 -0.890 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.341 -2.122 0.711 1.00 0.77 H new ATOM 579 N TYR A 40 -10.781 -0.472 -0.541 1.00 0.52 N ATOM 580 CA TYR A 40 -9.884 0.628 -0.243 1.00 0.47 C ATOM 581 C TYR A 40 -10.233 1.854 -1.029 1.00 0.49 C ATOM 582 O TYR A 40 -10.290 1.831 -2.261 1.00 0.61 O ATOM 583 CB TYR A 40 -8.402 0.270 -0.410 1.00 0.46 C ATOM 584 CG TYR A 40 -7.845 -0.535 0.735 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.350 -1.790 1.016 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.824 -0.049 1.527 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.855 -2.542 2.054 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.315 -0.787 2.570 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.815 -2.001 2.850 1.00 0.81 C ATOM 590 OH TYR A 40 -6.318 -2.754 3.888 1.00 1.02 O ATOM 0 H TYR A 40 -10.548 -1.006 -1.378 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.029 0.846 0.815 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.274 -0.292 -1.335 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -7.824 1.188 -0.513 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -9.149 -2.188 0.408 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.417 0.930 1.323 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -8.251 -3.526 2.259 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.509 -0.388 3.167 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.654 -2.230 4.383 1.00 1.02 H new ATOM 600 N ASP A 41 -10.499 2.910 -0.313 1.00 0.48 N ATOM 601 CA ASP A 41 -10.808 4.198 -0.902 1.00 0.56 C ATOM 602 C ASP A 41 -9.518 4.933 -1.149 1.00 0.45 C ATOM 603 O ASP A 41 -8.437 4.448 -0.752 1.00 0.39 O ATOM 604 CB ASP A 41 -11.695 5.037 0.038 1.00 0.75 C ATOM 605 CG ASP A 41 -13.003 4.370 0.360 1.00 1.11 C ATOM 606 OD1 ASP A 41 -13.933 4.462 -0.437 1.00 1.20 O ATOM 607 OD2 ASP A 41 -13.120 3.739 1.426 1.00 2.01 O ATOM 0 H ASP A 41 -10.509 2.909 0.707 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.349 4.040 -1.835 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -11.154 5.229 0.964 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -11.891 6.005 -0.424 1.00 0.75 H new ATOM 612 N SER A 42 -9.609 6.109 -1.749 1.00 0.57 N ATOM 613 CA SER A 42 -8.434 6.903 -2.040 1.00 0.62 C ATOM 614 C SER A 42 -7.703 7.262 -0.741 1.00 0.53 C ATOM 615 O SER A 42 -6.494 7.048 -0.608 1.00 0.54 O ATOM 616 CB SER A 42 -8.838 8.152 -2.803 1.00 0.83 C ATOM 617 OG SER A 42 -9.846 8.912 -2.040 1.00 1.24 O ATOM 0 H SER A 42 -10.489 6.533 -2.043 1.00 0.57 H new ATOM 0 HA SER A 42 -7.750 6.325 -2.661 1.00 0.62 H new ATOM 0 HB2 SER A 42 -7.962 8.775 -2.984 1.00 0.83 H new ATOM 0 HB3 SER A 42 -9.241 7.877 -3.778 1.00 0.83 H new ATOM 0 HG SER A 42 -10.098 9.716 -2.541 1.00 1.24 H new ATOM 622 N LEU A 43 -8.468 7.750 0.223 1.00 0.53 N ATOM 623 CA LEU A 43 -7.948 8.114 1.535 1.00 0.54 C ATOM 624 C LEU A 43 -7.321 6.912 2.242 1.00 0.45 C ATOM 625 O LEU A 43 -6.291 7.042 2.903 1.00 0.47 O ATOM 626 CB LEU A 43 -9.054 8.729 2.403 1.00 0.68 C ATOM 627 CG LEU A 43 -9.666 10.028 1.882 1.00 0.83 C ATOM 628 CD1 LEU A 43 -10.789 10.484 2.794 1.00 1.00 C ATOM 629 CD2 LEU A 43 -8.604 11.112 1.781 1.00 0.90 C ATOM 0 H LEU A 43 -9.471 7.906 0.119 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.166 8.858 1.385 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -9.851 7.994 2.516 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -8.648 8.915 3.397 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.073 9.843 0.888 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -11.216 11.411 2.410 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -11.562 9.717 2.831 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -10.397 10.653 3.797 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -9.056 12.031 1.408 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -8.174 11.293 2.766 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -7.820 10.790 1.096 1.00 0.90 H new ATOM 641 N ALA A 44 -7.903 5.736 2.039 1.00 0.44 N ATOM 642 CA ALA A 44 -7.406 4.517 2.665 1.00 0.41 C ATOM 643 C ALA A 44 -6.061 4.120 2.060 1.00 0.35 C ATOM 644 O ALA A 44 -5.184 3.582 2.751 1.00 0.38 O ATOM 645 CB ALA A 44 -8.422 3.388 2.531 1.00 0.43 C ATOM 0 H ALA A 44 -8.721 5.601 1.445 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.259 4.708 3.728 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.030 2.488 3.005 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.354 3.678 3.016 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.609 3.190 1.476 1.00 0.43 H new ATOM 651 N LEU A 45 -5.893 4.406 0.778 1.00 0.34 N ATOM 652 CA LEU A 45 -4.649 4.125 0.087 1.00 0.33 C ATOM 653 C LEU A 45 -3.561 5.050 0.685 1.00 0.32 C ATOM 654 O LEU A 45 -2.459 4.600 1.008 1.00 0.36 O ATOM 655 CB LEU A 45 -4.807 4.436 -1.420 1.00 0.48 C ATOM 656 CG LEU A 45 -3.822 3.789 -2.438 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.392 3.711 -1.965 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.291 2.456 -2.919 1.00 0.37 C ATOM 0 H LEU A 45 -6.610 4.836 0.193 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.377 3.076 0.205 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.817 4.145 -1.711 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -4.740 5.517 -1.540 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.824 4.480 -3.281 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -1.778 3.247 -2.737 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.021 4.715 -1.761 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -2.342 3.114 -1.054 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.568 2.049 -3.626 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.391 1.778 -2.072 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.257 2.566 -3.411 1.00 0.37 H new ATOM 670 N MET A 46 -3.908 6.335 0.862 1.00 0.37 N ATOM 671 CA MET A 46 -2.960 7.347 1.394 1.00 0.46 C ATOM 672 C MET A 46 -2.506 6.913 2.754 1.00 0.48 C ATOM 673 O MET A 46 -1.334 6.932 3.066 1.00 0.54 O ATOM 674 CB MET A 46 -3.614 8.721 1.557 1.00 0.59 C ATOM 675 CG MET A 46 -4.501 9.117 0.427 1.00 0.54 C ATOM 676 SD MET A 46 -5.070 10.830 0.522 1.00 0.89 S ATOM 677 CE MET A 46 -3.516 11.721 0.362 1.00 1.84 C ATOM 0 H MET A 46 -4.834 6.704 0.647 1.00 0.37 H new ATOM 0 HA MET A 46 -2.136 7.426 0.685 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.196 8.726 2.479 1.00 0.59 H new ATOM 0 HB3 MET A 46 -2.832 9.472 1.669 1.00 0.59 H new ATOM 0 HG2 MET A 46 -3.967 8.972 -0.512 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.367 8.456 0.407 1.00 0.54 H new ATOM 0 HE1 MET A 46 -3.712 12.735 0.015 1.00 1.84 H new ATOM 0 HE2 MET A 46 -3.017 11.759 1.330 1.00 1.84 H new ATOM 0 HE3 MET A 46 -2.876 11.209 -0.356 1.00 1.84 H new ATOM 687 N GLU A 47 -3.471 6.508 3.536 1.00 0.49 N ATOM 688 CA GLU A 47 -3.282 5.998 4.862 1.00 0.55 C ATOM 689 C GLU A 47 -2.308 4.809 4.872 1.00 0.54 C ATOM 690 O GLU A 47 -1.427 4.728 5.737 1.00 0.71 O ATOM 691 CB GLU A 47 -4.645 5.618 5.384 1.00 0.58 C ATOM 692 CG GLU A 47 -5.168 6.543 6.470 1.00 0.82 C ATOM 693 CD GLU A 47 -4.329 6.481 7.721 1.00 1.48 C ATOM 694 OE1 GLU A 47 -3.260 7.111 7.766 1.00 2.31 O ATOM 695 OE2 GLU A 47 -4.712 5.771 8.670 1.00 1.84 O ATOM 0 H GLU A 47 -4.450 6.527 3.251 1.00 0.49 H new ATOM 0 HA GLU A 47 -2.830 6.752 5.506 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.352 5.611 4.554 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.603 4.602 5.775 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -5.185 7.567 6.096 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -6.197 6.274 6.710 1.00 0.82 H new ATOM 702 N THR A 48 -2.456 3.932 3.896 1.00 0.42 N ATOM 703 CA THR A 48 -1.580 2.789 3.723 1.00 0.42 C ATOM 704 C THR A 48 -0.151 3.275 3.412 1.00 0.39 C ATOM 705 O THR A 48 0.807 2.930 4.125 1.00 0.41 O ATOM 706 CB THR A 48 -2.111 1.901 2.568 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.459 1.480 2.866 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.231 0.673 2.369 1.00 0.45 C ATOM 0 H THR A 48 -3.194 3.994 3.195 1.00 0.42 H new ATOM 0 HA THR A 48 -1.559 2.201 4.640 1.00 0.42 H new ATOM 0 HB THR A 48 -2.095 2.488 1.650 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.068 2.242 2.773 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.628 0.069 1.553 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.216 0.988 2.127 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.219 0.082 3.285 1.00 0.45 H new ATOM 716 N ALA A 49 -0.026 4.097 2.370 1.00 0.39 N ATOM 717 CA ALA A 49 1.259 4.634 1.949 1.00 0.40 C ATOM 718 C ALA A 49 1.951 5.379 3.088 1.00 0.42 C ATOM 719 O ALA A 49 3.104 5.115 3.377 1.00 0.41 O ATOM 720 CB ALA A 49 1.097 5.536 0.732 1.00 0.43 C ATOM 0 H ALA A 49 -0.812 4.406 1.799 1.00 0.39 H new ATOM 0 HA ALA A 49 1.893 3.793 1.669 1.00 0.40 H new ATOM 0 HB1 ALA A 49 2.071 5.926 0.436 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.670 4.963 -0.091 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.434 6.365 0.979 1.00 0.43 H new ATOM 726 N ALA A 50 1.207 6.248 3.771 1.00 0.46 N ATOM 727 CA ALA A 50 1.733 7.059 4.873 1.00 0.51 C ATOM 728 C ALA A 50 2.257 6.197 6.020 1.00 0.49 C ATOM 729 O ALA A 50 3.239 6.550 6.681 1.00 0.49 O ATOM 730 CB ALA A 50 0.673 8.021 5.387 1.00 0.62 C ATOM 0 H ALA A 50 0.219 6.411 3.577 1.00 0.46 H new ATOM 0 HA ALA A 50 2.572 7.630 4.476 1.00 0.51 H new ATOM 0 HB1 ALA A 50 1.085 8.613 6.204 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.361 8.684 4.580 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.188 7.456 5.746 1.00 0.62 H new ATOM 736 N ARG A 51 1.626 5.048 6.232 1.00 0.51 N ATOM 737 CA ARG A 51 2.037 4.123 7.291 1.00 0.54 C ATOM 738 C ARG A 51 3.411 3.553 6.943 1.00 0.50 C ATOM 739 O ARG A 51 4.284 3.384 7.801 1.00 0.61 O ATOM 740 CB ARG A 51 0.988 2.998 7.444 1.00 0.62 C ATOM 741 CG ARG A 51 1.242 1.922 8.524 1.00 0.87 C ATOM 742 CD ARG A 51 1.284 2.491 9.948 1.00 1.36 C ATOM 743 NE ARG A 51 0.331 3.602 10.135 1.00 2.18 N ATOM 744 CZ ARG A 51 0.196 4.336 11.244 1.00 3.05 C ATOM 745 NH1 ARG A 51 0.739 3.937 12.395 1.00 3.48 N ATOM 746 NH2 ARG A 51 -0.542 5.435 11.201 1.00 3.91 N ATOM 0 H ARG A 51 0.826 4.731 5.685 1.00 0.51 H new ATOM 0 HA ARG A 51 2.104 4.648 8.244 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.025 3.463 7.654 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.895 2.493 6.483 1.00 0.62 H new ATOM 0 HG2 ARG A 51 0.459 1.166 8.465 1.00 0.87 H new ATOM 0 HG3 ARG A 51 2.186 1.420 8.312 1.00 0.87 H new ATOM 0 HD2 ARG A 51 1.058 1.698 10.661 1.00 1.36 H new ATOM 0 HD3 ARG A 51 2.293 2.840 10.168 1.00 1.36 H new ATOM 0 HE ARG A 51 -0.278 3.830 9.349 1.00 2.18 H new ATOM 0 HH11 ARG A 51 1.264 3.063 12.435 1.00 3.48 H new ATOM 0 HH12 ARG A 51 0.629 4.505 13.235 1.00 3.48 H new ATOM 0 HH21 ARG A 51 -0.997 5.710 10.331 1.00 3.91 H new ATOM 0 HH22 ARG A 51 -0.655 6.006 12.038 1.00 3.91 H new ATOM 760 N LEU A 52 3.599 3.313 5.673 1.00 0.41 N ATOM 761 CA LEU A 52 4.836 2.804 5.147 1.00 0.39 C ATOM 762 C LEU A 52 5.887 3.914 5.127 1.00 0.36 C ATOM 763 O LEU A 52 7.053 3.680 5.445 1.00 0.38 O ATOM 764 CB LEU A 52 4.588 2.238 3.757 1.00 0.36 C ATOM 765 CG LEU A 52 3.558 1.110 3.704 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.184 0.797 2.278 1.00 0.41 C ATOM 767 CD2 LEU A 52 4.089 -0.133 4.409 1.00 0.48 C ATOM 0 H LEU A 52 2.884 3.469 4.963 1.00 0.41 H new ATOM 0 HA LEU A 52 5.216 2.003 5.781 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.257 3.045 3.104 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.532 1.870 3.355 1.00 0.36 H new ATOM 0 HG LEU A 52 2.660 1.441 4.225 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.450 -0.009 2.263 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.758 1.685 1.810 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.073 0.488 1.728 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.342 -0.925 4.361 1.00 0.48 H new ATOM 0 HD22 LEU A 52 5.004 -0.466 3.919 1.00 0.48 H new ATOM 0 HD23 LEU A 52 4.301 0.103 5.452 1.00 0.48 H new ATOM 779 N GLU A 53 5.456 5.134 4.788 1.00 0.35 N ATOM 780 CA GLU A 53 6.325 6.317 4.804 1.00 0.37 C ATOM 781 C GLU A 53 6.877 6.541 6.198 1.00 0.41 C ATOM 782 O GLU A 53 8.062 6.814 6.364 1.00 0.45 O ATOM 783 CB GLU A 53 5.576 7.583 4.375 1.00 0.40 C ATOM 784 CG GLU A 53 4.983 7.555 2.980 1.00 0.44 C ATOM 785 CD GLU A 53 4.331 8.873 2.636 1.00 0.56 C ATOM 786 OE1 GLU A 53 3.634 9.445 3.513 1.00 0.91 O ATOM 787 OE2 GLU A 53 4.556 9.385 1.529 1.00 0.65 O ATOM 0 H GLU A 53 4.498 5.329 4.496 1.00 0.35 H new ATOM 0 HA GLU A 53 7.132 6.128 4.096 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.772 7.767 5.088 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.261 8.428 4.442 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.765 7.333 2.254 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.247 6.754 2.911 1.00 0.44 H new ATOM 794 N SER A 54 6.015 6.391 7.188 1.00 0.45 N ATOM 795 CA SER A 54 6.382 6.583 8.576 1.00 0.54 C ATOM 796 C SER A 54 7.423 5.553 9.034 1.00 0.52 C ATOM 797 O SER A 54 8.280 5.850 9.871 1.00 0.62 O ATOM 798 CB SER A 54 5.127 6.515 9.453 1.00 0.69 C ATOM 799 OG SER A 54 4.176 7.514 9.061 1.00 1.38 O ATOM 0 H SER A 54 5.038 6.132 7.049 1.00 0.45 H new ATOM 0 HA SER A 54 6.839 7.567 8.678 1.00 0.54 H new ATOM 0 HB2 SER A 54 4.676 5.526 9.373 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.401 6.657 10.498 1.00 0.69 H new ATOM 0 HG SER A 54 3.880 7.342 8.143 1.00 1.38 H new ATOM 805 N ARG A 55 7.362 4.357 8.481 1.00 0.53 N ATOM 806 CA ARG A 55 8.287 3.322 8.883 1.00 0.62 C ATOM 807 C ARG A 55 9.587 3.373 8.068 1.00 0.57 C ATOM 808 O ARG A 55 10.668 3.363 8.625 1.00 0.68 O ATOM 809 CB ARG A 55 7.667 1.933 8.760 1.00 0.78 C ATOM 810 CG ARG A 55 8.542 0.842 9.370 1.00 0.95 C ATOM 811 CD ARG A 55 8.024 -0.545 9.054 1.00 1.19 C ATOM 812 NE ARG A 55 6.632 -0.772 9.468 1.00 1.42 N ATOM 813 CZ ARG A 55 5.895 -1.790 9.001 1.00 1.79 C ATOM 814 NH1 ARG A 55 6.462 -2.665 8.185 1.00 1.97 N ATOM 815 NH2 ARG A 55 4.621 -1.943 9.371 1.00 2.41 N ATOM 0 H ARG A 55 6.691 4.083 7.763 1.00 0.53 H new ATOM 0 HA ARG A 55 8.522 3.511 9.930 1.00 0.62 H new ATOM 0 HB2 ARG A 55 6.694 1.929 9.251 1.00 0.78 H new ATOM 0 HB3 ARG A 55 7.494 1.709 7.707 1.00 0.78 H new ATOM 0 HG2 ARG A 55 9.561 0.943 8.995 1.00 0.95 H new ATOM 0 HG3 ARG A 55 8.586 0.975 10.451 1.00 0.95 H new ATOM 0 HD2 ARG A 55 8.106 -0.716 7.981 1.00 1.19 H new ATOM 0 HD3 ARG A 55 8.662 -1.280 9.544 1.00 1.19 H new ATOM 0 HE ARG A 55 6.210 -0.129 10.138 1.00 1.42 H new ATOM 0 HH11 ARG A 55 7.442 -2.557 7.923 1.00 1.97 H new ATOM 0 HH12 ARG A 55 5.919 -3.447 7.818 1.00 1.97 H new ATOM 0 HH21 ARG A 55 4.195 -1.280 10.018 1.00 2.41 H new ATOM 0 HH22 ARG A 55 4.074 -2.723 9.006 1.00 2.41 H new ATOM 829 N TYR A 56 9.468 3.428 6.752 1.00 0.49 N ATOM 830 CA TYR A 56 10.636 3.318 5.873 1.00 0.54 C ATOM 831 C TYR A 56 11.285 4.652 5.540 1.00 0.53 C ATOM 832 O TYR A 56 12.460 4.702 5.194 1.00 0.71 O ATOM 833 CB TYR A 56 10.290 2.527 4.601 1.00 0.57 C ATOM 834 CG TYR A 56 9.891 1.089 4.896 1.00 0.68 C ATOM 835 CD1 TYR A 56 10.853 0.099 5.089 1.00 0.94 C ATOM 836 CD2 TYR A 56 8.554 0.719 4.945 1.00 0.66 C ATOM 837 CE1 TYR A 56 10.494 -1.216 5.317 1.00 1.09 C ATOM 838 CE2 TYR A 56 8.188 -0.589 5.182 1.00 0.82 C ATOM 839 CZ TYR A 56 9.168 -1.525 5.505 1.00 1.02 C ATOM 840 OH TYR A 56 8.783 -2.851 5.566 1.00 1.20 O ATOM 0 H TYR A 56 8.581 3.548 6.263 1.00 0.49 H new ATOM 0 HA TYR A 56 11.387 2.765 6.437 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.474 3.026 4.078 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.149 2.531 3.930 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.899 0.365 5.060 1.00 0.94 H new ATOM 0 HD2 TYR A 56 7.789 1.467 4.795 1.00 0.66 H new ATOM 0 HE1 TYR A 56 11.246 -1.991 5.347 1.00 1.09 H new ATOM 0 HE2 TYR A 56 7.151 -0.885 5.118 1.00 0.82 H new ATOM 0 HH TYR A 56 7.827 -2.924 5.361 1.00 1.20 H new ATOM 850 N GLY A 57 10.540 5.726 5.659 1.00 0.44 N ATOM 851 CA GLY A 57 11.096 7.029 5.362 1.00 0.45 C ATOM 852 C GLY A 57 10.998 7.372 3.898 1.00 0.45 C ATOM 853 O GLY A 57 11.995 7.648 3.249 1.00 0.60 O ATOM 0 H GLY A 57 9.564 5.727 5.954 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.573 7.786 5.946 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.141 7.054 5.670 1.00 0.45 H new ATOM 857 N VAL A 58 9.798 7.353 3.370 1.00 0.37 N ATOM 858 CA VAL A 58 9.586 7.685 1.974 1.00 0.39 C ATOM 859 C VAL A 58 8.552 8.789 1.841 1.00 0.40 C ATOM 860 O VAL A 58 8.045 9.294 2.854 1.00 0.42 O ATOM 861 CB VAL A 58 9.193 6.458 1.087 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.310 5.435 1.051 1.00 0.49 C ATOM 863 CG2 VAL A 58 7.906 5.805 1.577 1.00 0.38 C ATOM 0 H VAL A 58 8.950 7.111 3.883 1.00 0.37 H new ATOM 0 HA VAL A 58 10.547 8.035 1.598 1.00 0.39 H new ATOM 0 HB VAL A 58 9.025 6.831 0.077 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.011 4.592 0.428 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.209 5.892 0.637 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.515 5.084 2.062 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.663 4.956 0.938 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.040 5.461 2.602 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.093 6.531 1.542 1.00 0.38 H new ATOM 873 N SER A 59 8.243 9.164 0.629 1.00 0.46 N ATOM 874 CA SER A 59 7.259 10.182 0.350 1.00 0.56 C ATOM 875 C SER A 59 6.676 9.947 -1.041 1.00 0.54 C ATOM 876 O SER A 59 7.398 10.014 -2.041 1.00 0.61 O ATOM 877 CB SER A 59 7.899 11.580 0.439 1.00 0.79 C ATOM 878 OG SER A 59 8.474 11.793 1.729 1.00 1.33 O ATOM 0 H SER A 59 8.673 8.767 -0.207 1.00 0.46 H new ATOM 0 HA SER A 59 6.459 10.128 1.088 1.00 0.56 H new ATOM 0 HB2 SER A 59 8.667 11.683 -0.328 1.00 0.79 H new ATOM 0 HB3 SER A 59 7.146 12.343 0.241 1.00 0.79 H new ATOM 0 HG SER A 59 8.877 12.686 1.764 1.00 1.33 H new ATOM 884 N ILE A 60 5.416 9.606 -1.093 1.00 0.48 N ATOM 885 CA ILE A 60 4.742 9.396 -2.352 1.00 0.46 C ATOM 886 C ILE A 60 3.774 10.539 -2.602 1.00 0.50 C ATOM 887 O ILE A 60 3.017 10.909 -1.699 1.00 0.58 O ATOM 888 CB ILE A 60 3.965 8.041 -2.386 1.00 0.44 C ATOM 889 CG1 ILE A 60 4.929 6.859 -2.245 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.127 7.903 -3.667 1.00 0.43 C ATOM 891 CD1 ILE A 60 4.242 5.511 -2.241 1.00 1.13 C ATOM 0 H ILE A 60 4.829 9.466 -0.271 1.00 0.48 H new ATOM 0 HA ILE A 60 5.502 9.361 -3.133 1.00 0.46 H new ATOM 0 HB ILE A 60 3.280 8.034 -1.538 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.648 6.888 -3.064 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.495 6.971 -1.320 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.600 6.949 -3.656 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.403 8.716 -3.718 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.782 7.946 -4.537 1.00 0.43 H new ATOM 0 HD11 ILE A 60 4.988 4.723 -2.138 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.544 5.461 -1.406 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.699 5.377 -3.177 1.00 1.13 H new ATOM 903 N PRO A 61 3.834 11.168 -3.802 1.00 0.52 N ATOM 904 CA PRO A 61 2.884 12.205 -4.194 1.00 0.58 C ATOM 905 C PRO A 61 1.439 11.709 -4.046 1.00 0.52 C ATOM 906 O PRO A 61 1.102 10.598 -4.492 1.00 0.45 O ATOM 907 CB PRO A 61 3.222 12.460 -5.664 1.00 0.63 C ATOM 908 CG PRO A 61 4.661 12.093 -5.777 1.00 0.65 C ATOM 909 CD PRO A 61 4.856 10.936 -4.842 1.00 0.56 C ATOM 0 HA PRO A 61 2.956 13.101 -3.578 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.603 11.854 -6.326 1.00 0.63 H new ATOM 0 HB3 PRO A 61 3.054 13.502 -5.936 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.916 11.818 -6.800 1.00 0.65 H new ATOM 0 HG3 PRO A 61 5.302 12.931 -5.503 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.708 9.981 -5.346 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.862 10.922 -4.422 1.00 0.56 H new ATOM 917 N ASP A 62 0.618 12.554 -3.430 1.00 0.64 N ATOM 918 CA ASP A 62 -0.794 12.299 -3.055 1.00 0.72 C ATOM 919 C ASP A 62 -1.565 11.552 -4.121 1.00 0.61 C ATOM 920 O ASP A 62 -2.091 10.453 -3.885 1.00 0.65 O ATOM 921 CB ASP A 62 -1.512 13.637 -2.844 1.00 1.00 C ATOM 922 CG ASP A 62 -0.839 14.548 -1.857 1.00 1.28 C ATOM 923 OD1 ASP A 62 0.209 15.131 -2.202 1.00 1.40 O ATOM 924 OD2 ASP A 62 -1.353 14.733 -0.750 1.00 1.97 O ATOM 0 H ASP A 62 0.923 13.489 -3.159 1.00 0.64 H new ATOM 0 HA ASP A 62 -0.765 11.691 -2.151 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -1.588 14.151 -3.802 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -2.529 13.441 -2.506 1.00 1.00 H new ATOM 929 N ASP A 63 -1.585 12.132 -5.302 1.00 0.57 N ATOM 930 CA ASP A 63 -2.389 11.626 -6.414 1.00 0.62 C ATOM 931 C ASP A 63 -1.932 10.252 -6.877 1.00 0.52 C ATOM 932 O ASP A 63 -2.747 9.408 -7.230 1.00 0.65 O ATOM 933 CB ASP A 63 -2.350 12.613 -7.581 1.00 0.78 C ATOM 934 CG ASP A 63 -3.203 12.175 -8.746 1.00 1.29 C ATOM 935 OD1 ASP A 63 -4.421 12.407 -8.735 1.00 1.94 O ATOM 936 OD2 ASP A 63 -2.671 11.557 -9.679 1.00 1.87 O ATOM 0 H ASP A 63 -1.047 12.969 -5.527 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.413 11.523 -6.055 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -2.688 13.590 -7.236 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -1.320 12.732 -7.916 1.00 0.78 H new ATOM 941 N VAL A 64 -0.641 10.004 -6.768 1.00 0.42 N ATOM 942 CA VAL A 64 -0.024 8.784 -7.287 1.00 0.39 C ATOM 943 C VAL A 64 -0.454 7.516 -6.508 1.00 0.33 C ATOM 944 O VAL A 64 -0.424 6.402 -7.048 1.00 0.37 O ATOM 945 CB VAL A 64 1.539 8.907 -7.357 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.198 7.663 -7.952 1.00 0.55 C ATOM 947 CG2 VAL A 64 1.940 10.139 -8.157 1.00 0.56 C ATOM 0 H VAL A 64 0.017 10.640 -6.317 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.395 8.666 -8.305 1.00 0.39 H new ATOM 0 HB VAL A 64 1.894 9.005 -6.331 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.279 7.801 -7.977 1.00 0.55 H new ATOM 0 HG12 VAL A 64 1.957 6.795 -7.338 1.00 0.55 H new ATOM 0 HG13 VAL A 64 1.828 7.505 -8.965 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.027 10.210 -8.196 1.00 0.56 H new ATOM 0 HG22 VAL A 64 1.545 10.060 -9.170 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.535 11.031 -7.679 1.00 0.56 H new ATOM 957 N ALA A 65 -0.940 7.690 -5.288 1.00 0.35 N ATOM 958 CA ALA A 65 -1.355 6.583 -4.482 1.00 0.38 C ATOM 959 C ALA A 65 -2.643 6.020 -5.037 1.00 0.43 C ATOM 960 O ALA A 65 -2.809 4.825 -5.156 1.00 0.47 O ATOM 961 CB ALA A 65 -1.530 7.022 -3.036 1.00 0.44 C ATOM 0 H ALA A 65 -1.052 8.601 -4.843 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.591 5.805 -4.505 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -1.846 6.171 -2.433 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.583 7.405 -2.655 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.286 7.805 -2.982 1.00 0.44 H new ATOM 967 N GLY A 66 -3.505 6.901 -5.484 1.00 0.49 N ATOM 968 CA GLY A 66 -4.784 6.486 -6.020 1.00 0.59 C ATOM 969 C GLY A 66 -4.695 6.161 -7.501 1.00 0.53 C ATOM 970 O GLY A 66 -5.677 6.300 -8.234 1.00 0.69 O ATOM 0 H GLY A 66 -3.347 7.909 -5.488 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.139 5.611 -5.476 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.517 7.277 -5.865 1.00 0.59 H new ATOM 974 N ARG A 67 -3.515 5.778 -7.952 1.00 0.45 N ATOM 975 CA ARG A 67 -3.308 5.413 -9.319 1.00 0.45 C ATOM 976 C ARG A 67 -2.821 3.971 -9.420 1.00 0.39 C ATOM 977 O ARG A 67 -2.570 3.468 -10.520 1.00 0.51 O ATOM 978 CB ARG A 67 -2.302 6.365 -9.972 1.00 0.56 C ATOM 979 CG ARG A 67 -2.720 7.830 -9.941 1.00 1.08 C ATOM 980 CD ARG A 67 -1.773 8.710 -10.729 1.00 1.48 C ATOM 981 NE ARG A 67 -1.844 8.412 -12.162 1.00 2.15 N ATOM 982 CZ ARG A 67 -1.445 9.214 -13.154 1.00 2.93 C ATOM 983 NH1 ARG A 67 -0.886 10.391 -12.904 1.00 3.24 N ATOM 984 NH2 ARG A 67 -1.613 8.829 -14.409 1.00 3.83 N ATOM 0 H ARG A 67 -2.679 5.715 -7.371 1.00 0.45 H new ATOM 0 HA ARG A 67 -4.258 5.491 -9.848 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -1.341 6.262 -9.468 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -2.152 6.063 -11.009 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -3.727 7.928 -10.347 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -2.758 8.174 -8.907 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -2.020 9.758 -10.560 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -0.753 8.562 -10.374 1.00 1.48 H new ATOM 0 HE ARG A 67 -2.234 7.508 -12.427 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -0.754 10.698 -11.940 1.00 3.24 H new ATOM 0 HH12 ARG A 67 -0.588 10.988 -13.675 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -2.044 7.927 -14.612 1.00 3.83 H new ATOM 0 HH22 ARG A 67 -1.312 9.434 -15.173 1.00 3.83 H new ATOM 998 N VAL A 68 -2.680 3.305 -8.279 1.00 0.35 N ATOM 999 CA VAL A 68 -2.241 1.925 -8.294 1.00 0.34 C ATOM 1000 C VAL A 68 -3.414 0.972 -8.302 1.00 0.39 C ATOM 1001 O VAL A 68 -4.480 1.257 -7.726 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.233 1.547 -7.181 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.041 2.344 -7.346 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.809 1.742 -5.788 1.00 0.36 C ATOM 0 H VAL A 68 -2.860 3.693 -7.353 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.688 1.824 -9.228 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.012 0.485 -7.286 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.745 2.072 -6.559 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.483 2.127 -8.319 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.184 3.408 -7.279 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.063 1.463 -5.044 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.085 2.788 -5.651 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.693 1.115 -5.669 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.224 -0.142 -8.956 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.294 -1.104 -9.153 1.00 0.49 C ATOM 1016 C ASP A 69 -4.210 -2.228 -8.145 1.00 0.40 C ATOM 1017 O ASP A 69 -5.201 -2.576 -7.478 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.205 -1.691 -10.561 1.00 0.68 C ATOM 1019 CG ASP A 69 -5.501 -2.295 -11.023 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -6.474 -1.533 -11.225 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -5.581 -3.535 -11.213 1.00 0.86 O ATOM 0 H ASP A 69 -2.332 -0.415 -9.368 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.243 -0.585 -9.020 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -3.905 -0.908 -11.258 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.426 -2.453 -10.583 1.00 0.68 H new ATOM 1026 N THR A 70 -3.037 -2.802 -8.032 1.00 0.38 N ATOM 1027 CA THR A 70 -2.823 -3.936 -7.181 1.00 0.35 C ATOM 1028 C THR A 70 -1.717 -3.638 -6.144 1.00 0.33 C ATOM 1029 O THR A 70 -0.952 -2.670 -6.310 1.00 0.33 O ATOM 1030 CB THR A 70 -2.471 -5.174 -8.050 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.323 -4.888 -8.864 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.640 -5.516 -8.958 1.00 0.47 C ATOM 0 H THR A 70 -2.204 -2.491 -8.532 1.00 0.38 H new ATOM 0 HA THR A 70 -3.736 -4.151 -6.626 1.00 0.35 H new ATOM 0 HB THR A 70 -2.256 -6.015 -7.390 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.104 -5.673 -9.409 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.387 -6.385 -9.565 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.518 -5.740 -8.352 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.855 -4.669 -9.609 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.640 -4.437 -5.047 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.662 -4.250 -3.957 1.00 0.33 C ATOM 1042 C PRO A 71 0.782 -4.094 -4.434 1.00 0.29 C ATOM 1043 O PRO A 71 1.509 -3.238 -3.945 1.00 0.28 O ATOM 1044 CB PRO A 71 -0.810 -5.539 -3.150 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.226 -5.902 -3.327 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.540 -5.576 -4.752 1.00 0.39 C ATOM 0 HA PRO A 71 -0.858 -3.331 -3.404 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.147 -6.321 -3.520 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -0.565 -5.384 -2.099 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.390 -6.959 -3.120 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -2.865 -5.341 -2.645 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.346 -6.423 -5.410 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.588 -5.305 -4.881 1.00 0.39 H new ATOM 1054 N ARG A 72 1.176 -4.884 -5.412 1.00 0.31 N ATOM 1055 CA ARG A 72 2.550 -4.876 -5.914 1.00 0.31 C ATOM 1056 C ARG A 72 2.935 -3.553 -6.571 1.00 0.29 C ATOM 1057 O ARG A 72 4.102 -3.157 -6.549 1.00 0.31 O ATOM 1058 CB ARG A 72 2.830 -6.074 -6.818 1.00 0.36 C ATOM 1059 CG ARG A 72 1.866 -6.229 -7.971 1.00 0.48 C ATOM 1060 CD ARG A 72 2.159 -7.500 -8.739 1.00 0.58 C ATOM 1061 NE ARG A 72 1.125 -7.773 -9.712 1.00 1.01 N ATOM 1062 CZ ARG A 72 0.392 -8.881 -9.748 1.00 1.40 C ATOM 1063 NH1 ARG A 72 0.726 -9.952 -9.010 1.00 1.35 N ATOM 1064 NH2 ARG A 72 -0.652 -8.938 -10.548 1.00 2.47 N ATOM 0 H ARG A 72 0.563 -5.549 -5.884 1.00 0.31 H new ATOM 0 HA ARG A 72 3.197 -4.974 -5.042 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.841 -5.984 -7.216 1.00 0.36 H new ATOM 0 HB3 ARG A 72 2.804 -6.982 -6.215 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.843 -6.251 -7.597 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.944 -5.369 -8.636 1.00 0.48 H new ATOM 0 HD2 ARG A 72 3.121 -7.410 -9.243 1.00 0.58 H new ATOM 0 HD3 ARG A 72 2.239 -8.337 -8.045 1.00 0.58 H new ATOM 0 HE ARG A 72 0.945 -7.064 -10.422 1.00 1.01 H new ATOM 0 HH11 ARG A 72 1.552 -9.922 -8.412 1.00 1.35 H new ATOM 0 HH12 ARG A 72 0.154 -10.796 -9.048 1.00 1.35 H new ATOM 0 HH21 ARG A 72 -0.891 -8.137 -11.132 1.00 2.47 H new ATOM 0 HH22 ARG A 72 -1.222 -9.783 -10.584 1.00 2.47 H new ATOM 1078 N GLU A 73 1.951 -2.856 -7.107 1.00 0.28 N ATOM 1079 CA GLU A 73 2.200 -1.575 -7.735 1.00 0.28 C ATOM 1080 C GLU A 73 2.553 -0.556 -6.644 1.00 0.25 C ATOM 1081 O GLU A 73 3.432 0.300 -6.812 1.00 0.25 O ATOM 1082 CB GLU A 73 0.957 -1.121 -8.506 1.00 0.33 C ATOM 1083 CG GLU A 73 0.350 -2.197 -9.399 1.00 0.45 C ATOM 1084 CD GLU A 73 1.278 -2.706 -10.474 1.00 1.15 C ATOM 1085 OE1 GLU A 73 2.253 -3.405 -10.147 1.00 2.06 O ATOM 1086 OE2 GLU A 73 1.089 -2.369 -11.658 1.00 1.24 O ATOM 0 H GLU A 73 0.976 -3.155 -7.120 1.00 0.28 H new ATOM 0 HA GLU A 73 3.028 -1.659 -8.439 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.203 -0.787 -7.793 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.218 -0.259 -9.120 1.00 0.33 H new ATOM 0 HG2 GLU A 73 0.038 -3.036 -8.777 1.00 0.45 H new ATOM 0 HG3 GLU A 73 -0.549 -1.798 -9.870 1.00 0.45 H new ATOM 1093 N LEU A 74 1.895 -0.708 -5.504 1.00 0.27 N ATOM 1094 CA LEU A 74 2.115 0.141 -4.346 1.00 0.27 C ATOM 1095 C LEU A 74 3.493 -0.200 -3.727 1.00 0.25 C ATOM 1096 O LEU A 74 4.239 0.697 -3.309 1.00 0.25 O ATOM 1097 CB LEU A 74 0.934 -0.061 -3.349 1.00 0.30 C ATOM 1098 CG LEU A 74 0.812 0.888 -2.129 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.851 0.579 -1.064 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.916 2.342 -2.578 1.00 1.00 C ATOM 0 H LEU A 74 1.189 -1.429 -5.357 1.00 0.27 H new ATOM 0 HA LEU A 74 2.137 1.196 -4.619 1.00 0.27 H new ATOM 0 HB2 LEU A 74 0.007 0.012 -3.917 1.00 0.30 H new ATOM 0 HB3 LEU A 74 0.995 -1.081 -2.968 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.168 0.725 -1.680 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.730 1.267 -0.227 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.720 -0.445 -0.714 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.850 0.693 -1.486 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.829 2.998 -1.712 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.879 2.506 -3.061 1.00 1.00 H new ATOM 0 HD23 LEU A 74 0.114 2.563 -3.283 1.00 1.00 H new ATOM 1112 N LEU A 75 3.817 -1.505 -3.702 1.00 0.29 N ATOM 1113 CA LEU A 75 5.135 -2.019 -3.257 1.00 0.34 C ATOM 1114 C LEU A 75 6.248 -1.302 -3.968 1.00 0.29 C ATOM 1115 O LEU A 75 7.179 -0.765 -3.354 1.00 0.30 O ATOM 1116 CB LEU A 75 5.274 -3.500 -3.633 1.00 0.49 C ATOM 1117 CG LEU A 75 5.018 -4.550 -2.579 1.00 0.42 C ATOM 1118 CD1 LEU A 75 6.064 -4.490 -1.501 1.00 0.43 C ATOM 1119 CD2 LEU A 75 3.649 -4.425 -1.990 1.00 0.90 C ATOM 0 H LEU A 75 3.172 -2.241 -3.990 1.00 0.29 H new ATOM 0 HA LEU A 75 5.196 -1.869 -2.179 1.00 0.34 H new ATOM 0 HB2 LEU A 75 4.594 -3.694 -4.463 1.00 0.49 H new ATOM 0 HB3 LEU A 75 6.286 -3.651 -4.008 1.00 0.49 H new ATOM 0 HG LEU A 75 5.077 -5.522 -3.069 1.00 0.42 H new ATOM 0 HD11 LEU A 75 5.859 -5.255 -0.752 1.00 0.43 H new ATOM 0 HD12 LEU A 75 7.047 -4.664 -1.938 1.00 0.43 H new ATOM 0 HD13 LEU A 75 6.045 -3.507 -1.030 1.00 0.43 H new ATOM 0 HD21 LEU A 75 3.505 -5.199 -1.236 1.00 0.90 H new ATOM 0 HD22 LEU A 75 3.540 -3.444 -1.528 1.00 0.90 H new ATOM 0 HD23 LEU A 75 2.903 -4.541 -2.776 1.00 0.90 H new ATOM 1131 N ASP A 76 6.113 -1.287 -5.269 1.00 0.29 N ATOM 1132 CA ASP A 76 7.098 -0.732 -6.175 1.00 0.33 C ATOM 1133 C ASP A 76 7.253 0.756 -5.977 1.00 0.29 C ATOM 1134 O ASP A 76 8.343 1.286 -6.097 1.00 0.33 O ATOM 1135 CB ASP A 76 6.749 -1.080 -7.623 1.00 0.40 C ATOM 1136 CG ASP A 76 7.698 -0.476 -8.626 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.864 -0.927 -8.718 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.271 0.421 -9.378 1.00 0.63 O ATOM 0 H ASP A 76 5.296 -1.669 -5.745 1.00 0.29 H new ATOM 0 HA ASP A 76 8.064 -1.182 -5.947 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.750 -2.164 -7.739 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.737 -0.737 -7.838 1.00 0.40 H new ATOM 1143 N LEU A 77 6.168 1.420 -5.628 1.00 0.25 N ATOM 1144 CA LEU A 77 6.208 2.846 -5.330 1.00 0.25 C ATOM 1145 C LEU A 77 7.085 3.122 -4.119 1.00 0.26 C ATOM 1146 O LEU A 77 7.979 3.983 -4.158 1.00 0.32 O ATOM 1147 CB LEU A 77 4.818 3.378 -5.054 1.00 0.26 C ATOM 1148 CG LEU A 77 3.864 3.481 -6.225 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.548 4.072 -5.753 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.454 4.342 -7.330 1.00 0.38 C ATOM 0 H LEU A 77 5.244 0.997 -5.543 1.00 0.25 H new ATOM 0 HA LEU A 77 6.624 3.348 -6.203 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.357 2.740 -4.300 1.00 0.26 H new ATOM 0 HB3 LEU A 77 4.919 4.370 -4.614 1.00 0.26 H new ATOM 0 HG LEU A 77 3.694 2.482 -6.627 1.00 0.31 H new ATOM 0 HD11 LEU A 77 1.860 4.147 -6.595 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.115 3.430 -4.986 1.00 0.35 H new ATOM 0 HD13 LEU A 77 2.723 5.065 -5.338 1.00 0.35 H new ATOM 0 HD21 LEU A 77 3.750 4.401 -8.160 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.648 5.344 -6.947 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.388 3.899 -7.677 1.00 0.38 H new ATOM 1162 N ILE A 78 6.832 2.380 -3.049 1.00 0.25 N ATOM 1163 CA ILE A 78 7.586 2.520 -1.816 1.00 0.29 C ATOM 1164 C ILE A 78 9.040 2.159 -2.062 1.00 0.34 C ATOM 1165 O ILE A 78 9.925 2.966 -1.822 1.00 0.40 O ATOM 1166 CB ILE A 78 7.016 1.614 -0.695 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.555 1.985 -0.369 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.888 1.694 0.571 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.367 3.372 0.219 1.00 0.46 C ATOM 0 H ILE A 78 6.102 1.669 -3.014 1.00 0.25 H new ATOM 0 HA ILE A 78 7.506 3.557 -1.491 1.00 0.29 H new ATOM 0 HB ILE A 78 7.031 0.587 -1.059 1.00 0.33 H new ATOM 0 HG12 ILE A 78 4.963 1.909 -1.281 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.156 1.251 0.332 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.468 1.050 1.343 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.901 1.366 0.337 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.914 2.723 0.931 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.309 3.544 0.415 1.00 0.46 H new ATOM 0 HD12 ILE A 78 5.927 3.451 1.151 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.731 4.119 -0.487 1.00 0.46 H new ATOM 1181 N ASN A 79 9.273 0.956 -2.566 1.00 0.37 N ATOM 1182 CA ASN A 79 10.633 0.460 -2.807 1.00 0.46 C ATOM 1183 C ASN A 79 11.374 1.282 -3.846 1.00 0.40 C ATOM 1184 O ASN A 79 12.604 1.305 -3.858 1.00 0.45 O ATOM 1185 CB ASN A 79 10.656 -1.021 -3.200 1.00 0.62 C ATOM 1186 CG ASN A 79 10.223 -1.943 -2.078 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.393 -1.629 -0.903 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.693 -3.093 -2.426 1.00 0.56 N ATOM 0 H ASN A 79 8.537 0.297 -2.820 1.00 0.37 H new ATOM 0 HA ASN A 79 11.152 0.567 -1.855 1.00 0.46 H new ATOM 0 HB2 ASN A 79 10.002 -1.173 -4.059 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.664 -1.291 -3.515 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.407 -3.760 -1.710 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.567 -3.319 -3.413 1.00 0.56 H new ATOM 1195 N GLY A 80 10.638 1.931 -4.723 1.00 0.38 N ATOM 1196 CA GLY A 80 11.238 2.802 -5.702 1.00 0.41 C ATOM 1197 C GLY A 80 11.771 4.057 -5.044 1.00 0.45 C ATOM 1198 O GLY A 80 12.912 4.458 -5.267 1.00 0.55 O ATOM 0 H GLY A 80 9.621 1.869 -4.775 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.048 2.281 -6.213 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.501 3.067 -6.460 1.00 0.41 H new ATOM 1202 N ALA A 81 10.957 4.643 -4.183 1.00 0.44 N ATOM 1203 CA ALA A 81 11.340 5.844 -3.459 1.00 0.51 C ATOM 1204 C ALA A 81 12.407 5.524 -2.415 1.00 0.54 C ATOM 1205 O ALA A 81 13.333 6.291 -2.213 1.00 0.69 O ATOM 1206 CB ALA A 81 10.123 6.480 -2.801 1.00 0.52 C ATOM 0 H ALA A 81 10.020 4.304 -3.967 1.00 0.44 H new ATOM 0 HA ALA A 81 11.759 6.556 -4.170 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.428 7.378 -2.263 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.393 6.745 -3.566 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.676 5.773 -2.102 1.00 0.52 H new ATOM 1212 N LEU A 82 12.288 4.350 -1.800 1.00 0.44 N ATOM 1213 CA LEU A 82 13.201 3.894 -0.787 1.00 0.50 C ATOM 1214 C LEU A 82 14.549 3.500 -1.407 1.00 0.60 C ATOM 1215 O LEU A 82 15.551 3.414 -0.735 1.00 0.70 O ATOM 1216 CB LEU A 82 12.560 2.728 -0.022 1.00 0.48 C ATOM 1217 CG LEU A 82 13.366 2.146 1.124 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.645 3.199 2.198 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.676 0.929 1.718 1.00 0.66 C ATOM 0 H LEU A 82 11.539 3.688 -2.003 1.00 0.44 H new ATOM 0 HA LEU A 82 13.402 4.701 -0.083 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.601 3.064 0.372 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.350 1.928 -0.732 1.00 0.48 H new ATOM 0 HG LEU A 82 14.325 1.822 0.721 1.00 0.58 H new ATOM 0 HD11 LEU A 82 14.224 2.751 3.005 1.00 0.60 H new ATOM 0 HD12 LEU A 82 14.209 4.023 1.761 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.701 3.574 2.594 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.277 0.534 2.537 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.694 1.215 2.094 1.00 0.66 H new ATOM 0 HD23 LEU A 82 12.562 0.164 0.950 1.00 0.66 H new ATOM 1231 N ALA A 83 14.551 3.246 -2.696 1.00 0.64 N ATOM 1232 CA ALA A 83 15.786 2.954 -3.407 1.00 0.79 C ATOM 1233 C ALA A 83 16.543 4.237 -3.625 1.00 0.95 C ATOM 1234 O ALA A 83 17.770 4.283 -3.549 1.00 1.13 O ATOM 1235 CB ALA A 83 15.485 2.340 -4.750 1.00 0.86 C ATOM 0 H ALA A 83 13.714 3.234 -3.278 1.00 0.64 H new ATOM 0 HA ALA A 83 16.377 2.255 -2.815 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.419 2.127 -5.270 1.00 0.86 H new ATOM 0 HB2 ALA A 83 14.928 1.413 -4.610 1.00 0.86 H new ATOM 0 HB3 ALA A 83 14.890 3.035 -5.343 1.00 0.86 H new ATOM 1241 N GLU A 84 15.789 5.285 -3.811 1.00 0.95 N ATOM 1242 CA GLU A 84 16.296 6.587 -4.154 1.00 1.17 C ATOM 1243 C GLU A 84 16.554 7.392 -2.859 1.00 1.25 C ATOM 1244 O GLU A 84 16.754 8.614 -2.879 1.00 1.52 O ATOM 1245 CB GLU A 84 15.234 7.262 -5.017 1.00 1.23 C ATOM 1246 CG GLU A 84 15.757 8.314 -5.955 1.00 1.40 C ATOM 1247 CD GLU A 84 16.761 7.758 -6.925 1.00 1.80 C ATOM 1248 OE1 GLU A 84 16.354 7.249 -7.994 1.00 2.47 O ATOM 1249 OE2 GLU A 84 17.979 7.795 -6.641 1.00 2.17 O ATOM 0 H GLU A 84 14.773 5.257 -3.726 1.00 0.95 H new ATOM 0 HA GLU A 84 17.238 6.525 -4.699 1.00 1.17 H new ATOM 0 HB2 GLU A 84 14.721 6.498 -5.601 1.00 1.23 H new ATOM 0 HB3 GLU A 84 14.490 7.716 -4.363 1.00 1.23 H new ATOM 0 HG2 GLU A 84 14.926 8.753 -6.506 1.00 1.40 H new ATOM 0 HG3 GLU A 84 16.217 9.117 -5.379 1.00 1.40 H new