USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 CYS SG : rot 50:sc= 0.124 USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 131:sc= 1.15 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 150:sc= -0.0886 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0083 USER MOD Single : A 79 ASN : amide:sc= -1.96 K(o=-2,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -4.309 9.445 -1.591 1.00 0.00 N ATOM 45 CA LEU A 4 -4.480 9.403 -3.042 1.00 0.00 C ATOM 46 C LEU A 4 -4.849 7.992 -3.488 1.00 0.00 C ATOM 47 O LEU A 4 -5.928 7.759 -4.033 1.00 0.00 O ATOM 48 CB LEU A 4 -3.183 9.826 -3.746 1.00 0.00 C ATOM 49 CG LEU A 4 -3.112 11.357 -3.872 1.00 0.00 C ATOM 50 CD1 LEU A 4 -4.282 11.867 -4.719 1.00 0.00 C ATOM 51 CD2 LEU A 4 -3.169 12.000 -2.482 1.00 0.00 C ATOM 0 HA LEU A 4 -5.280 10.093 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.322 9.461 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.135 9.371 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.173 11.626 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.224 12.952 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.232 11.423 -5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.223 11.590 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.118 13.084 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.102 11.724 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.327 11.650 -1.884 1.00 0.00 H new ATOM 63 N LEU A 5 -3.939 7.052 -3.246 1.00 0.00 N ATOM 64 CA LEU A 5 -4.175 5.661 -3.622 1.00 0.00 C ATOM 65 C LEU A 5 -4.822 4.909 -2.461 1.00 0.00 C ATOM 66 O LEU A 5 -4.573 5.208 -1.294 1.00 0.00 O ATOM 67 CB LEU A 5 -2.850 4.981 -4.009 1.00 0.00 C ATOM 68 CG LEU A 5 -2.953 4.383 -5.419 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.197 5.496 -6.443 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.646 3.664 -5.762 1.00 0.00 C ATOM 0 H LEU A 5 -3.040 7.225 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.846 5.640 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.037 5.706 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.612 4.197 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.784 3.678 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.269 5.063 -7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.126 6.013 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.370 6.205 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.717 3.238 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.820 4.374 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.469 2.866 -5.040 1.00 0.00 H new ATOM 82 N THR A 6 -5.667 3.939 -2.792 1.00 0.00 N ATOM 83 CA THR A 6 -6.353 3.161 -1.764 1.00 0.00 C ATOM 84 C THR A 6 -6.231 1.665 -2.044 1.00 0.00 C ATOM 85 O THR A 6 -5.812 1.250 -3.124 1.00 0.00 O ATOM 86 CB THR A 6 -7.839 3.545 -1.711 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.532 2.650 -0.853 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.447 3.478 -3.114 1.00 0.00 C ATOM 0 H THR A 6 -5.892 3.674 -3.751 1.00 0.00 H new ATOM 0 HA THR A 6 -5.883 3.382 -0.806 1.00 0.00 H new ATOM 0 HB THR A 6 -7.930 4.562 -1.329 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.480 2.897 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.501 3.752 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.921 4.170 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.352 2.464 -3.504 1.00 0.00 H new ATOM 96 N THR A 7 -6.611 0.858 -1.052 1.00 0.00 N ATOM 97 CA THR A 7 -6.557 -0.597 -1.191 1.00 0.00 C ATOM 98 C THR A 7 -7.404 -1.042 -2.383 1.00 0.00 C ATOM 99 O THR A 7 -7.041 -1.962 -3.119 1.00 0.00 O ATOM 100 CB THR A 7 -7.080 -1.267 0.085 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.311 -0.828 1.196 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.972 -2.786 -0.042 1.00 0.00 C ATOM 0 H THR A 7 -6.957 1.185 -0.150 1.00 0.00 H new ATOM 0 HA THR A 7 -5.521 -0.893 -1.355 1.00 0.00 H new ATOM 0 HB THR A 7 -8.125 -0.995 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.645 -1.254 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.345 -3.255 0.868 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.564 -3.123 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.929 -3.065 -0.192 1.00 0.00 H new ATOM 110 N ASP A 8 -8.538 -0.366 -2.568 1.00 0.00 N ATOM 111 CA ASP A 8 -9.438 -0.678 -3.679 1.00 0.00 C ATOM 112 C ASP A 8 -8.691 -0.567 -5.005 1.00 0.00 C ATOM 113 O ASP A 8 -8.896 -1.359 -5.924 1.00 0.00 O ATOM 114 CB ASP A 8 -10.628 0.284 -3.694 1.00 0.00 C ATOM 115 CG ASP A 8 -11.443 0.107 -2.418 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.786 -1.023 -2.111 1.00 0.00 O ATOM 117 OD2 ASP A 8 -11.712 1.102 -1.767 1.00 0.00 O ATOM 0 H ASP A 8 -8.854 0.396 -1.968 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.802 -1.697 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.276 1.313 -3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.253 0.092 -4.566 1.00 0.00 H new ATOM 122 N ASP A 9 -7.804 0.423 -5.079 1.00 0.00 N ATOM 123 CA ASP A 9 -7.005 0.630 -6.281 1.00 0.00 C ATOM 124 C ASP A 9 -6.035 -0.531 -6.455 1.00 0.00 C ATOM 125 O ASP A 9 -5.742 -0.954 -7.572 1.00 0.00 O ATOM 126 CB ASP A 9 -6.211 1.934 -6.187 1.00 0.00 C ATOM 127 CG ASP A 9 -5.962 2.480 -7.588 1.00 0.00 C ATOM 128 OD1 ASP A 9 -5.337 1.784 -8.371 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.402 3.585 -7.859 1.00 0.00 O ATOM 0 H ASP A 9 -7.622 1.088 -4.327 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.679 0.687 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.760 2.664 -5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.262 1.759 -5.680 1.00 0.00 H new ATOM 134 N LEU A 10 -5.546 -1.048 -5.326 1.00 0.00 N ATOM 135 CA LEU A 10 -4.610 -2.177 -5.339 1.00 0.00 C ATOM 136 C LEU A 10 -5.194 -3.352 -6.124 1.00 0.00 C ATOM 137 O LEU A 10 -4.595 -3.837 -7.083 1.00 0.00 O ATOM 138 CB LEU A 10 -4.330 -2.647 -3.906 1.00 0.00 C ATOM 139 CG LEU A 10 -2.923 -3.254 -3.796 1.00 0.00 C ATOM 140 CD1 LEU A 10 -2.716 -3.780 -2.374 1.00 0.00 C ATOM 141 CD2 LEU A 10 -2.767 -4.421 -4.779 1.00 0.00 C ATOM 0 H LEU A 10 -5.781 -0.706 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.687 -1.841 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.423 -1.807 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.074 -3.386 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.187 -2.485 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.719 -4.213 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.818 -2.959 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.463 -4.543 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.765 -4.841 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.505 -5.190 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.920 -4.062 -5.797 1.00 0.00 H new ATOM 153 N ARG A 11 -6.364 -3.808 -5.687 1.00 0.00 N ATOM 154 CA ARG A 11 -7.030 -4.939 -6.335 1.00 0.00 C ATOM 155 C ARG A 11 -7.289 -4.654 -7.814 1.00 0.00 C ATOM 156 O ARG A 11 -6.985 -5.472 -8.679 1.00 0.00 O ATOM 157 CB ARG A 11 -8.365 -5.236 -5.642 1.00 0.00 C ATOM 158 CG ARG A 11 -8.574 -6.750 -5.545 1.00 0.00 C ATOM 159 CD ARG A 11 -10.017 -7.044 -5.130 1.00 0.00 C ATOM 160 NE ARG A 11 -10.324 -8.461 -5.305 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.446 -8.850 -5.904 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.560 -8.205 -5.685 1.00 0.00 N ATOM 163 NH2 ARG A 11 -11.435 -9.878 -6.708 1.00 0.00 N ATOM 0 H ARG A 11 -6.870 -3.417 -4.892 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.370 -5.802 -6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.374 -4.794 -4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.184 -4.782 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.358 -7.219 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.882 -7.177 -4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.166 -6.760 -4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.702 -6.442 -5.726 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.668 -9.163 -4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.570 -7.403 -5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.421 -8.503 -6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.566 -10.384 -6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.296 -10.176 -7.167 1.00 0.00 H new ATOM 177 N ARG A 12 -7.866 -3.489 -8.087 1.00 0.00 N ATOM 178 CA ARG A 12 -8.181 -3.103 -9.464 1.00 0.00 C ATOM 179 C ARG A 12 -6.925 -3.058 -10.340 1.00 0.00 C ATOM 180 O ARG A 12 -7.011 -3.138 -11.565 1.00 0.00 O ATOM 181 CB ARG A 12 -8.850 -1.726 -9.486 1.00 0.00 C ATOM 182 CG ARG A 12 -9.916 -1.688 -10.585 1.00 0.00 C ATOM 183 CD ARG A 12 -10.056 -0.259 -11.110 1.00 0.00 C ATOM 184 NE ARG A 12 -8.953 0.071 -12.008 1.00 0.00 N ATOM 185 CZ ARG A 12 -9.178 0.645 -13.186 1.00 0.00 C ATOM 186 NH1 ARG A 12 -9.386 -0.094 -14.242 1.00 0.00 N ATOM 187 NH2 ARG A 12 -9.191 1.946 -13.286 1.00 0.00 N ATOM 0 H ARG A 12 -8.125 -2.798 -7.382 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.859 -3.857 -9.865 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.304 -1.516 -8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.104 -0.951 -9.663 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.640 -2.360 -11.398 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.871 -2.038 -10.193 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.005 -0.151 -11.636 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.073 0.441 -10.274 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.996 -0.142 -11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.376 -1.111 -14.163 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.559 0.346 -15.146 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.029 2.523 -12.460 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.364 2.386 -14.190 1.00 0.00 H new ATOM 201 N ALA A 13 -5.761 -2.916 -9.709 1.00 0.00 N ATOM 202 CA ALA A 13 -4.506 -2.847 -10.458 1.00 0.00 C ATOM 203 C ALA A 13 -3.979 -4.244 -10.780 1.00 0.00 C ATOM 204 O ALA A 13 -3.391 -4.470 -11.839 1.00 0.00 O ATOM 205 CB ALA A 13 -3.445 -2.092 -9.654 1.00 0.00 C ATOM 0 H ALA A 13 -5.659 -2.847 -8.696 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.710 -2.319 -11.390 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.518 -2.050 -10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.794 -1.079 -9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.267 -2.609 -8.711 1.00 0.00 H new ATOM 211 N LEU A 14 -4.188 -5.175 -9.855 1.00 0.00 N ATOM 212 CA LEU A 14 -3.720 -6.547 -10.052 1.00 0.00 C ATOM 213 C LEU A 14 -4.647 -7.321 -10.993 1.00 0.00 C ATOM 214 O LEU A 14 -4.252 -8.333 -11.572 1.00 0.00 O ATOM 215 CB LEU A 14 -3.644 -7.280 -8.712 1.00 0.00 C ATOM 216 CG LEU A 14 -2.286 -7.010 -8.061 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.445 -6.973 -6.540 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.306 -8.121 -8.443 1.00 0.00 C ATOM 0 H LEU A 14 -4.671 -5.011 -8.972 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.728 -6.494 -10.501 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.447 -6.945 -8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.781 -8.351 -8.862 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.903 -6.051 -8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.477 -6.781 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.142 -6.181 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.830 -7.931 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.339 -7.928 -7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.690 -9.080 -8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.190 -8.147 -9.526 1.00 0.00 H new ATOM 230 N VAL A 15 -5.882 -6.843 -11.140 1.00 0.00 N ATOM 231 CA VAL A 15 -6.847 -7.508 -12.014 1.00 0.00 C ATOM 232 C VAL A 15 -6.760 -6.944 -13.431 1.00 0.00 C ATOM 233 O VAL A 15 -7.012 -7.646 -14.410 1.00 0.00 O ATOM 234 CB VAL A 15 -8.271 -7.318 -11.482 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.246 -8.158 -12.310 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.339 -7.766 -10.019 1.00 0.00 C ATOM 0 H VAL A 15 -6.235 -6.008 -10.672 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.609 -8.571 -12.034 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.542 -6.265 -11.555 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.258 -8.021 -11.929 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.204 -7.842 -13.352 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.971 -9.210 -12.239 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.353 -7.630 -9.643 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.064 -8.818 -9.948 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.648 -7.169 -9.423 1.00 0.00 H new ATOM 246 N GLU A 16 -6.404 -5.665 -13.527 1.00 0.00 N ATOM 247 CA GLU A 16 -6.290 -5.008 -14.829 1.00 0.00 C ATOM 248 C GLU A 16 -5.274 -5.725 -15.721 1.00 0.00 C ATOM 249 O GLU A 16 -5.342 -5.638 -16.948 1.00 0.00 O ATOM 250 CB GLU A 16 -5.855 -3.551 -14.654 1.00 0.00 C ATOM 251 CG GLU A 16 -6.469 -2.697 -15.765 1.00 0.00 C ATOM 252 CD GLU A 16 -5.590 -2.770 -17.009 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.437 -2.383 -16.919 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.083 -3.213 -18.033 1.00 0.00 O ATOM 0 H GLU A 16 -6.191 -5.067 -12.728 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.270 -5.047 -15.304 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.172 -3.181 -13.679 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.768 -3.479 -14.684 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.474 -3.050 -15.996 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.563 -1.663 -15.433 1.00 0.00 H new ATOM 261 N CYS A 17 -4.330 -6.430 -15.098 1.00 0.00 N ATOM 262 CA CYS A 17 -3.305 -7.154 -15.851 1.00 0.00 C ATOM 263 C CYS A 17 -3.942 -8.141 -16.828 1.00 0.00 C ATOM 264 O CYS A 17 -3.494 -8.287 -17.966 1.00 0.00 O ATOM 265 CB CYS A 17 -2.385 -7.922 -14.901 1.00 0.00 C ATOM 266 SG CYS A 17 -1.646 -6.770 -13.716 1.00 0.00 S ATOM 0 H CYS A 17 -4.253 -6.515 -14.084 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.725 -6.419 -16.409 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.949 -8.691 -14.374 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.604 -8.431 -15.466 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.579 -6.040 -13.181 1.00 0.00 H new ATOM 272 N ALA A 18 -4.990 -8.818 -16.369 1.00 0.00 N ATOM 273 CA ALA A 18 -5.683 -9.791 -17.210 1.00 0.00 C ATOM 274 C ALA A 18 -7.105 -9.326 -17.507 1.00 0.00 C ATOM 275 O ALA A 18 -7.451 -9.028 -18.649 1.00 0.00 O ATOM 276 CB ALA A 18 -5.739 -11.155 -16.519 1.00 0.00 C ATOM 0 H ALA A 18 -5.376 -8.714 -15.430 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.128 -9.880 -18.144 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.259 -11.867 -17.160 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.726 -11.509 -16.330 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.273 -11.062 -15.573 1.00 0.00 H new ATOM 400 N ASP A 29 -8.831 -10.043 3.943 1.00 0.00 N ATOM 401 CA ASP A 29 -8.601 -8.696 3.415 1.00 0.00 C ATOM 402 C ASP A 29 -7.712 -8.741 2.172 1.00 0.00 C ATOM 403 O ASP A 29 -6.978 -7.794 1.890 1.00 0.00 O ATOM 404 CB ASP A 29 -7.934 -7.814 4.472 1.00 0.00 C ATOM 405 CG ASP A 29 -8.237 -6.349 4.176 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.285 -5.997 3.009 1.00 0.00 O ATOM 407 OD2 ASP A 29 -8.418 -5.600 5.122 1.00 0.00 O ATOM 0 HA ASP A 29 -9.571 -8.276 3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.299 -8.079 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.857 -7.981 4.473 1.00 0.00 H new ATOM 412 N PHE A 30 -7.793 -9.859 1.438 1.00 0.00 N ATOM 413 CA PHE A 30 -7.012 -10.073 0.204 1.00 0.00 C ATOM 414 C PHE A 30 -5.596 -9.475 0.277 1.00 0.00 C ATOM 415 O PHE A 30 -5.040 -9.036 -0.728 1.00 0.00 O ATOM 416 CB PHE A 30 -7.792 -9.527 -1.018 1.00 0.00 C ATOM 417 CG PHE A 30 -7.526 -8.056 -1.296 1.00 0.00 C ATOM 418 CD1 PHE A 30 -8.084 -7.066 -0.481 1.00 0.00 C ATOM 419 CD2 PHE A 30 -6.729 -7.694 -2.390 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.841 -5.715 -0.755 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.490 -6.344 -2.665 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.045 -5.354 -1.849 1.00 0.00 C ATOM 0 H PHE A 30 -8.400 -10.642 1.680 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.876 -11.148 0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.525 -10.110 -1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.860 -9.670 -0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.702 -7.344 0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.299 -8.458 -3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.268 -4.951 -0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.876 -6.066 -3.509 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.860 -4.312 -2.062 1.00 0.00 H new ATOM 432 N LEU A 31 -5.025 -9.463 1.475 1.00 0.00 N ATOM 433 CA LEU A 31 -3.687 -8.912 1.652 1.00 0.00 C ATOM 434 C LEU A 31 -2.870 -9.774 2.608 1.00 0.00 C ATOM 435 O LEU A 31 -2.641 -9.413 3.763 1.00 0.00 O ATOM 436 CB LEU A 31 -3.767 -7.481 2.187 1.00 0.00 C ATOM 437 CG LEU A 31 -4.384 -6.576 1.114 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.836 -5.254 1.742 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.346 -6.306 0.018 1.00 0.00 C ATOM 0 H LEU A 31 -5.458 -9.822 2.326 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.194 -8.903 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.370 -7.452 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.772 -7.123 2.454 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.251 -7.072 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.273 -4.617 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.579 -5.453 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.978 -4.750 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.783 -5.663 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.477 -5.814 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.040 -7.250 -0.434 1.00 0.00 H new ATOM 451 N ASP A 32 -2.429 -10.917 2.099 1.00 0.00 N ATOM 452 CA ASP A 32 -1.627 -11.845 2.886 1.00 0.00 C ATOM 453 C ASP A 32 -0.877 -12.784 1.953 1.00 0.00 C ATOM 454 O ASP A 32 -1.351 -13.874 1.632 1.00 0.00 O ATOM 455 CB ASP A 32 -2.514 -12.669 3.822 1.00 0.00 C ATOM 456 CG ASP A 32 -2.655 -11.944 5.156 1.00 0.00 C ATOM 457 OD1 ASP A 32 -1.640 -11.545 5.702 1.00 0.00 O ATOM 458 OD2 ASP A 32 -3.777 -11.800 5.613 1.00 0.00 O ATOM 0 H ASP A 32 -2.613 -11.224 1.144 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.921 -11.270 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.495 -12.819 3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.079 -13.657 3.977 1.00 0.00 H new ATOM 463 N LEU A 33 0.294 -12.336 1.503 1.00 0.00 N ATOM 464 CA LEU A 33 1.107 -13.130 0.583 1.00 0.00 C ATOM 465 C LEU A 33 0.341 -13.356 -0.719 1.00 0.00 C ATOM 466 O LEU A 33 0.367 -14.443 -1.298 1.00 0.00 O ATOM 467 CB LEU A 33 1.473 -14.484 1.204 1.00 0.00 C ATOM 468 CG LEU A 33 2.654 -14.305 2.157 1.00 0.00 C ATOM 469 CD1 LEU A 33 2.170 -13.667 3.461 1.00 0.00 C ATOM 470 CD2 LEU A 33 3.272 -15.672 2.460 1.00 0.00 C ATOM 0 H LEU A 33 0.699 -11.435 1.758 1.00 0.00 H new ATOM 0 HA LEU A 33 2.027 -12.582 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.617 -14.893 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.729 -15.198 0.421 1.00 0.00 H new ATOM 0 HG LEU A 33 3.400 -13.659 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.014 -13.540 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.727 -12.694 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.424 -14.311 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.115 -15.548 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.524 -16.315 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.618 -16.128 1.533 1.00 0.00 H new ATOM 482 N ARG A 34 -0.350 -12.309 -1.164 1.00 0.00 N ATOM 483 CA ARG A 34 -1.136 -12.383 -2.392 1.00 0.00 C ATOM 484 C ARG A 34 -0.229 -12.558 -3.608 1.00 0.00 C ATOM 485 O ARG A 34 -0.565 -13.276 -4.549 1.00 0.00 O ATOM 486 CB ARG A 34 -1.978 -11.112 -2.564 1.00 0.00 C ATOM 487 CG ARG A 34 -2.912 -11.259 -3.774 1.00 0.00 C ATOM 488 CD ARG A 34 -2.470 -10.309 -4.891 1.00 0.00 C ATOM 489 NE ARG A 34 -3.607 -9.929 -5.722 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.261 -10.835 -6.443 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.088 -11.660 -5.861 1.00 0.00 N ATOM 492 NH2 ARG A 34 -4.074 -10.899 -7.733 1.00 0.00 N ATOM 0 H ARG A 34 -0.381 -11.404 -0.695 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.796 -13.247 -2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.563 -10.929 -1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.326 -10.250 -2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.898 -12.288 -4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.938 -11.038 -3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.015 -9.418 -4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.709 -10.790 -5.505 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.905 -8.954 -5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.233 -11.610 -4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.589 -12.355 -6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.427 -10.255 -8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.575 -11.593 -8.287 1.00 0.00 H new ATOM 506 N PHE A 35 0.926 -11.897 -3.581 1.00 0.00 N ATOM 507 CA PHE A 35 1.870 -11.996 -4.695 1.00 0.00 C ATOM 508 C PHE A 35 2.344 -13.437 -4.854 1.00 0.00 C ATOM 509 O PHE A 35 2.355 -13.982 -5.958 1.00 0.00 O ATOM 510 CB PHE A 35 3.081 -11.085 -4.462 1.00 0.00 C ATOM 511 CG PHE A 35 2.763 -9.683 -4.937 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.602 -9.038 -4.487 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.627 -9.026 -5.824 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.306 -7.742 -4.924 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.329 -7.730 -6.258 1.00 0.00 C ATOM 516 CZ PHE A 35 2.170 -7.089 -5.809 1.00 0.00 C ATOM 0 H PHE A 35 1.229 -11.296 -2.814 1.00 0.00 H new ATOM 0 HA PHE A 35 1.358 -11.678 -5.603 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.339 -11.071 -3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.948 -11.473 -4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.936 -9.542 -3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.522 -9.520 -6.172 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.411 -7.246 -4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.995 -7.224 -6.941 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.942 -6.089 -6.146 1.00 0.00 H new ATOM 526 N GLU A 36 2.724 -14.053 -3.739 1.00 0.00 N ATOM 527 CA GLU A 36 3.186 -15.439 -3.771 1.00 0.00 C ATOM 528 C GLU A 36 2.001 -16.392 -3.635 1.00 0.00 C ATOM 529 O GLU A 36 1.794 -17.017 -2.595 1.00 0.00 O ATOM 530 CB GLU A 36 4.194 -15.706 -2.647 1.00 0.00 C ATOM 531 CG GLU A 36 3.560 -15.406 -1.279 1.00 0.00 C ATOM 532 CD GLU A 36 4.505 -14.541 -0.448 1.00 0.00 C ATOM 533 OE1 GLU A 36 5.433 -15.090 0.121 1.00 0.00 O ATOM 534 OE2 GLU A 36 4.285 -13.341 -0.394 1.00 0.00 O ATOM 0 H GLU A 36 2.722 -13.623 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 36 3.679 -15.609 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.523 -16.745 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.080 -15.086 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.608 -14.893 -1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.349 -16.338 -0.754 1.00 0.00 H new ATOM 541 N ASP A 37 1.223 -16.491 -4.708 1.00 0.00 N ATOM 542 CA ASP A 37 0.053 -17.364 -4.714 1.00 0.00 C ATOM 543 C ASP A 37 -0.274 -17.809 -6.135 1.00 0.00 C ATOM 544 O ASP A 37 -0.238 -18.998 -6.452 1.00 0.00 O ATOM 545 CB ASP A 37 -1.159 -16.638 -4.127 1.00 0.00 C ATOM 546 CG ASP A 37 -2.190 -17.660 -3.662 1.00 0.00 C ATOM 547 OD1 ASP A 37 -2.332 -18.672 -4.326 1.00 0.00 O ATOM 548 OD2 ASP A 37 -2.822 -17.414 -2.647 1.00 0.00 O ATOM 0 H ASP A 37 1.379 -15.982 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 37 0.283 -18.238 -4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.850 -16.011 -3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.598 -15.978 -4.875 1.00 0.00 H new ATOM 553 N ILE A 38 -0.594 -16.841 -6.991 1.00 0.00 N ATOM 554 CA ILE A 38 -0.926 -17.150 -8.379 1.00 0.00 C ATOM 555 C ILE A 38 0.330 -17.567 -9.145 1.00 0.00 C ATOM 556 O ILE A 38 0.279 -18.403 -10.046 1.00 0.00 O ATOM 557 CB ILE A 38 -1.582 -15.938 -9.066 1.00 0.00 C ATOM 558 CG1 ILE A 38 -0.583 -14.778 -9.195 1.00 0.00 C ATOM 559 CG2 ILE A 38 -2.774 -15.469 -8.231 1.00 0.00 C ATOM 560 CD1 ILE A 38 -1.198 -13.662 -10.046 1.00 0.00 C ATOM 0 H ILE A 38 -0.630 -15.850 -6.753 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.636 -17.977 -8.383 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.907 -16.239 -10.062 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.325 -14.396 -8.207 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.342 -15.130 -9.652 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.241 -14.611 -8.714 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.500 -16.278 -8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.432 -15.184 -7.236 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.488 -12.840 -10.136 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.434 -14.048 -11.038 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.110 -13.303 -9.570 1.00 0.00 H new ATOM 572 N GLY A 39 1.456 -16.968 -8.768 1.00 0.00 N ATOM 573 CA GLY A 39 2.726 -17.275 -9.417 1.00 0.00 C ATOM 574 C GLY A 39 3.402 -16.004 -9.924 1.00 0.00 C ATOM 575 O GLY A 39 3.962 -15.980 -11.021 1.00 0.00 O ATOM 0 H GLY A 39 1.515 -16.273 -8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.384 -17.785 -8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.557 -17.958 -10.249 1.00 0.00 H new ATOM 579 N TYR A 40 3.354 -14.949 -9.112 1.00 0.00 N ATOM 580 CA TYR A 40 3.976 -13.683 -9.493 1.00 0.00 C ATOM 581 C TYR A 40 5.482 -13.758 -9.254 1.00 0.00 C ATOM 582 O TYR A 40 5.940 -14.367 -8.288 1.00 0.00 O ATOM 583 CB TYR A 40 3.388 -12.517 -8.678 1.00 0.00 C ATOM 584 CG TYR A 40 2.493 -11.672 -9.556 1.00 0.00 C ATOM 585 CD1 TYR A 40 3.058 -10.736 -10.433 1.00 0.00 C ATOM 586 CD2 TYR A 40 1.099 -11.818 -9.491 1.00 0.00 C ATOM 587 CE1 TYR A 40 2.232 -9.950 -11.245 1.00 0.00 C ATOM 588 CE2 TYR A 40 0.275 -11.029 -10.304 1.00 0.00 C ATOM 589 CZ TYR A 40 0.842 -10.096 -11.181 1.00 0.00 C ATOM 590 OH TYR A 40 0.029 -9.319 -11.981 1.00 0.00 O ATOM 0 H TYR A 40 2.898 -14.945 -8.200 1.00 0.00 H new ATOM 0 HA TYR A 40 3.776 -13.506 -10.550 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.821 -12.904 -7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.193 -11.906 -8.270 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.131 -10.621 -10.482 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.662 -12.538 -8.815 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.668 -9.230 -11.922 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.798 -11.140 -10.254 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.909 -9.547 -11.813 1.00 0.00 H new ATOM 600 N ASP A 41 6.244 -13.129 -10.141 1.00 0.00 N ATOM 601 CA ASP A 41 7.703 -13.129 -10.010 1.00 0.00 C ATOM 602 C ASP A 41 8.195 -11.750 -9.580 1.00 0.00 C ATOM 603 O ASP A 41 8.516 -11.532 -8.413 1.00 0.00 O ATOM 604 CB ASP A 41 8.416 -13.545 -11.317 1.00 0.00 C ATOM 605 CG ASP A 41 7.569 -13.212 -12.548 1.00 0.00 C ATOM 606 OD1 ASP A 41 6.509 -13.798 -12.691 1.00 0.00 O ATOM 607 OD2 ASP A 41 7.997 -12.377 -13.327 1.00 0.00 O ATOM 0 H ASP A 41 5.887 -12.619 -10.949 1.00 0.00 H new ATOM 0 HA ASP A 41 7.951 -13.869 -9.249 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.377 -13.035 -11.387 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.623 -14.615 -11.295 1.00 0.00 H new ATOM 612 N SER A 42 8.249 -10.813 -10.529 1.00 0.00 N ATOM 613 CA SER A 42 8.703 -9.457 -10.216 1.00 0.00 C ATOM 614 C SER A 42 8.736 -8.591 -11.470 1.00 0.00 C ATOM 615 O SER A 42 8.242 -7.469 -11.470 1.00 0.00 O ATOM 616 CB SER A 42 10.103 -9.477 -9.590 1.00 0.00 C ATOM 617 OG SER A 42 10.640 -8.158 -9.569 1.00 0.00 O ATOM 0 H SER A 42 7.989 -10.964 -11.504 1.00 0.00 H new ATOM 0 HA SER A 42 7.994 -9.036 -9.503 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.053 -9.875 -8.577 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.757 -10.137 -10.160 1.00 0.00 H new ATOM 0 HG SER A 42 10.991 -7.962 -8.675 1.00 0.00 H new ATOM 623 N LEU A 43 9.336 -9.116 -12.536 1.00 0.00 N ATOM 624 CA LEU A 43 9.432 -8.363 -13.786 1.00 0.00 C ATOM 625 C LEU A 43 8.043 -8.057 -14.351 1.00 0.00 C ATOM 626 O LEU A 43 7.855 -7.074 -15.068 1.00 0.00 O ATOM 627 CB LEU A 43 10.243 -9.144 -14.828 1.00 0.00 C ATOM 628 CG LEU A 43 9.566 -10.496 -15.122 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.120 -10.545 -16.587 1.00 0.00 C ATOM 630 CD2 LEU A 43 10.552 -11.639 -14.860 1.00 0.00 C ATOM 0 H LEU A 43 9.757 -10.045 -12.562 1.00 0.00 H new ATOM 0 HA LEU A 43 9.939 -7.424 -13.565 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.325 -8.563 -15.746 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.257 -9.308 -14.463 1.00 0.00 H new ATOM 0 HG LEU A 43 8.699 -10.605 -14.471 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.642 -11.503 -16.790 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.412 -9.738 -16.779 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.988 -10.428 -17.236 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.068 -12.593 -15.070 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.422 -11.524 -15.506 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.869 -11.614 -13.817 1.00 0.00 H new ATOM 642 N ALA A 44 7.074 -8.909 -14.024 1.00 0.00 N ATOM 643 CA ALA A 44 5.709 -8.717 -14.509 1.00 0.00 C ATOM 644 C ALA A 44 5.053 -7.531 -13.806 1.00 0.00 C ATOM 645 O ALA A 44 4.626 -6.570 -14.446 1.00 0.00 O ATOM 646 CB ALA A 44 4.870 -9.970 -14.259 1.00 0.00 C ATOM 0 H ALA A 44 7.205 -9.730 -13.433 1.00 0.00 H new ATOM 0 HA ALA A 44 5.759 -8.522 -15.580 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.857 -9.809 -14.627 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.315 -10.816 -14.782 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.839 -10.180 -13.190 1.00 0.00 H new ATOM 652 N LEU A 45 4.977 -7.615 -12.481 1.00 0.00 N ATOM 653 CA LEU A 45 4.365 -6.546 -11.691 1.00 0.00 C ATOM 654 C LEU A 45 5.230 -5.277 -11.686 1.00 0.00 C ATOM 655 O LEU A 45 4.785 -4.217 -11.242 1.00 0.00 O ATOM 656 CB LEU A 45 4.149 -7.012 -10.247 1.00 0.00 C ATOM 657 CG LEU A 45 5.483 -7.445 -9.624 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.009 -6.336 -8.714 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.272 -8.712 -8.790 1.00 0.00 C ATOM 0 H LEU A 45 5.327 -8.402 -11.935 1.00 0.00 H new ATOM 0 HA LEU A 45 3.407 -6.309 -12.153 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.709 -6.206 -9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.443 -7.843 -10.227 1.00 0.00 H new ATOM 0 HG LEU A 45 6.202 -7.641 -10.420 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.956 -6.646 -8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.160 -5.428 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.286 -6.142 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.220 -9.019 -8.348 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.551 -8.510 -7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.895 -9.510 -9.430 1.00 0.00 H new ATOM 671 N MET A 46 6.461 -5.385 -12.188 1.00 0.00 N ATOM 672 CA MET A 46 7.357 -4.231 -12.232 1.00 0.00 C ATOM 673 C MET A 46 7.047 -3.358 -13.444 1.00 0.00 C ATOM 674 O MET A 46 7.266 -2.148 -13.423 1.00 0.00 O ATOM 675 CB MET A 46 8.818 -4.685 -12.302 1.00 0.00 C ATOM 676 CG MET A 46 9.740 -3.473 -12.152 1.00 0.00 C ATOM 677 SD MET A 46 11.415 -3.921 -12.672 1.00 0.00 S ATOM 678 CE MET A 46 11.492 -2.853 -14.131 1.00 0.00 C ATOM 0 H MET A 46 6.855 -6.247 -12.565 1.00 0.00 H new ATOM 0 HA MET A 46 7.202 -3.653 -11.321 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.022 -5.410 -11.514 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.009 -5.185 -13.252 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.370 -2.644 -12.755 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.748 -3.134 -11.116 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.460 -2.971 -14.618 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.700 -3.130 -14.827 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.362 -1.814 -13.829 1.00 0.00 H new ATOM 688 N GLU A 47 6.532 -3.982 -14.502 1.00 0.00 N ATOM 689 CA GLU A 47 6.193 -3.244 -15.714 1.00 0.00 C ATOM 690 C GLU A 47 5.036 -2.292 -15.435 1.00 0.00 C ATOM 691 O GLU A 47 5.055 -1.128 -15.840 1.00 0.00 O ATOM 692 CB GLU A 47 5.791 -4.206 -16.833 1.00 0.00 C ATOM 693 CG GLU A 47 7.048 -4.775 -17.494 1.00 0.00 C ATOM 694 CD GLU A 47 7.566 -3.790 -18.535 1.00 0.00 C ATOM 695 OE1 GLU A 47 8.157 -2.797 -18.141 1.00 0.00 O ATOM 696 OE2 GLU A 47 7.365 -4.043 -19.712 1.00 0.00 O ATOM 0 H GLU A 47 6.343 -4.983 -14.544 1.00 0.00 H new ATOM 0 HA GLU A 47 7.070 -2.677 -16.027 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.181 -5.015 -16.430 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.182 -3.686 -17.573 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.814 -4.962 -16.742 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.823 -5.732 -17.964 1.00 0.00 H new ATOM 703 N THR A 48 4.028 -2.800 -14.732 1.00 0.00 N ATOM 704 CA THR A 48 2.863 -1.991 -14.391 1.00 0.00 C ATOM 705 C THR A 48 3.254 -0.902 -13.398 1.00 0.00 C ATOM 706 O THR A 48 2.873 0.259 -13.543 1.00 0.00 O ATOM 707 CB THR A 48 1.765 -2.861 -13.774 1.00 0.00 C ATOM 708 OG1 THR A 48 1.506 -3.968 -14.625 1.00 0.00 O ATOM 709 CG2 THR A 48 0.490 -2.034 -13.605 1.00 0.00 C ATOM 0 H THR A 48 3.994 -3.760 -14.390 1.00 0.00 H new ATOM 0 HA THR A 48 2.486 -1.535 -15.307 1.00 0.00 H new ATOM 0 HB THR A 48 2.092 -3.222 -12.799 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.804 -4.527 -14.230 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.291 -2.655 -13.166 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.691 -1.186 -12.950 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.160 -1.671 -14.578 1.00 0.00 H new ATOM 717 N ALA A 49 4.026 -1.292 -12.386 1.00 0.00 N ATOM 718 CA ALA A 49 4.473 -0.342 -11.369 1.00 0.00 C ATOM 719 C ALA A 49 5.311 0.771 -11.997 1.00 0.00 C ATOM 720 O ALA A 49 5.382 1.883 -11.471 1.00 0.00 O ATOM 721 CB ALA A 49 5.312 -1.053 -10.306 1.00 0.00 C ATOM 0 H ALA A 49 4.352 -2.249 -12.248 1.00 0.00 H new ATOM 0 HA ALA A 49 3.586 0.091 -10.907 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.637 -0.332 -9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.713 -1.828 -9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.185 -1.507 -10.775 1.00 0.00 H new ATOM 727 N ALA A 50 5.945 0.466 -13.128 1.00 0.00 N ATOM 728 CA ALA A 50 6.776 1.452 -13.815 1.00 0.00 C ATOM 729 C ALA A 50 5.902 2.490 -14.509 1.00 0.00 C ATOM 730 O ALA A 50 6.154 3.692 -14.424 1.00 0.00 O ATOM 731 CB ALA A 50 7.666 0.771 -14.856 1.00 0.00 C ATOM 0 H ALA A 50 5.900 -0.445 -13.584 1.00 0.00 H new ATOM 0 HA ALA A 50 7.403 1.943 -13.070 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.278 1.521 -15.358 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.313 0.045 -14.363 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.042 0.261 -15.590 1.00 0.00 H new ATOM 737 N ARG A 51 4.867 2.012 -15.194 1.00 0.00 N ATOM 738 CA ARG A 51 3.953 2.907 -15.899 1.00 0.00 C ATOM 739 C ARG A 51 3.262 3.846 -14.913 1.00 0.00 C ATOM 740 O ARG A 51 2.926 4.982 -15.248 1.00 0.00 O ATOM 741 CB ARG A 51 2.891 2.104 -16.654 1.00 0.00 C ATOM 742 CG ARG A 51 3.380 1.821 -18.075 1.00 0.00 C ATOM 743 CD ARG A 51 2.756 0.521 -18.584 1.00 0.00 C ATOM 744 NE ARG A 51 3.125 0.283 -19.977 1.00 0.00 N ATOM 745 CZ ARG A 51 4.389 0.057 -20.322 1.00 0.00 C ATOM 746 NH1 ARG A 51 5.025 -0.971 -19.828 1.00 0.00 N ATOM 747 NH2 ARG A 51 4.994 0.860 -21.152 1.00 0.00 N ATOM 0 H ARG A 51 4.641 1.021 -15.276 1.00 0.00 H new ATOM 0 HA ARG A 51 4.536 3.492 -16.610 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.690 1.167 -16.134 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.953 2.659 -16.684 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.112 2.647 -18.734 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.467 1.743 -18.087 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.088 -0.314 -17.967 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.671 0.573 -18.494 1.00 0.00 H new ATOM 0 HE ARG A 51 2.402 0.290 -20.696 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.552 -1.599 -19.178 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.995 -1.146 -20.092 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.498 1.663 -21.538 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.964 0.685 -21.416 1.00 0.00 H new ATOM 761 N LEU A 52 3.056 3.358 -13.693 1.00 0.00 N ATOM 762 CA LEU A 52 2.406 4.160 -12.660 1.00 0.00 C ATOM 763 C LEU A 52 3.381 5.183 -12.085 1.00 0.00 C ATOM 764 O LEU A 52 2.986 6.275 -11.673 1.00 0.00 O ATOM 765 CB LEU A 52 1.899 3.265 -11.528 1.00 0.00 C ATOM 766 CG LEU A 52 0.709 3.935 -10.839 1.00 0.00 C ATOM 767 CD1 LEU A 52 -0.469 4.012 -11.812 1.00 0.00 C ATOM 768 CD2 LEU A 52 0.304 3.113 -9.613 1.00 0.00 C ATOM 0 H LEU A 52 3.327 2.420 -13.397 1.00 0.00 H new ATOM 0 HA LEU A 52 1.564 4.679 -13.118 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.603 2.293 -11.924 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.697 3.086 -10.807 1.00 0.00 H new ATOM 0 HG LEU A 52 0.988 4.942 -10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.316 4.490 -11.320 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.181 4.595 -12.687 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.750 3.006 -12.123 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.544 3.588 -9.120 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.025 2.107 -9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.143 3.057 -8.919 1.00 0.00 H new ATOM 780 N GLU A 53 4.662 4.818 -12.061 1.00 0.00 N ATOM 781 CA GLU A 53 5.691 5.711 -11.533 1.00 0.00 C ATOM 782 C GLU A 53 5.726 7.018 -12.323 1.00 0.00 C ATOM 783 O GLU A 53 6.025 8.080 -11.781 1.00 0.00 O ATOM 784 CB GLU A 53 7.068 5.047 -11.612 1.00 0.00 C ATOM 785 CG GLU A 53 8.092 5.901 -10.860 1.00 0.00 C ATOM 786 CD GLU A 53 9.454 5.771 -11.532 1.00 0.00 C ATOM 787 OE1 GLU A 53 9.765 4.686 -11.993 1.00 0.00 O ATOM 788 OE2 GLU A 53 10.167 6.761 -11.577 1.00 0.00 O ATOM 0 H GLU A 53 5.009 3.920 -12.397 1.00 0.00 H new ATOM 0 HA GLU A 53 5.447 5.923 -10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.026 4.047 -11.181 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.369 4.933 -12.653 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.776 6.944 -10.853 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.156 5.580 -9.820 1.00 0.00 H new ATOM 795 N SER A 54 5.411 6.922 -13.612 1.00 0.00 N ATOM 796 CA SER A 54 5.405 8.100 -14.475 1.00 0.00 C ATOM 797 C SER A 54 4.065 8.826 -14.384 1.00 0.00 C ATOM 798 O SER A 54 3.989 10.041 -14.572 1.00 0.00 O ATOM 799 CB SER A 54 5.657 7.699 -15.928 1.00 0.00 C ATOM 800 OG SER A 54 7.056 7.581 -16.148 1.00 0.00 O ATOM 0 H SER A 54 5.159 6.051 -14.078 1.00 0.00 H new ATOM 0 HA SER A 54 6.200 8.766 -14.138 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.162 6.753 -16.147 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.233 8.444 -16.601 1.00 0.00 H new ATOM 0 HG SER A 54 7.220 7.322 -17.079 1.00 0.00 H new ATOM 806 N ARG A 55 3.006 8.070 -14.096 1.00 0.00 N ATOM 807 CA ARG A 55 1.672 8.656 -13.985 1.00 0.00 C ATOM 808 C ARG A 55 1.637 9.710 -12.883 1.00 0.00 C ATOM 809 O ARG A 55 1.439 10.895 -13.146 1.00 0.00 O ATOM 810 CB ARG A 55 0.634 7.574 -13.675 1.00 0.00 C ATOM 811 CG ARG A 55 -0.742 8.028 -14.167 1.00 0.00 C ATOM 812 CD ARG A 55 -1.518 6.824 -14.705 1.00 0.00 C ATOM 813 NE ARG A 55 -0.935 6.355 -15.959 1.00 0.00 N ATOM 814 CZ ARG A 55 -1.220 6.953 -17.113 1.00 0.00 C ATOM 815 NH1 ARG A 55 -0.616 8.062 -17.440 1.00 0.00 N ATOM 816 NH2 ARG A 55 -2.105 6.430 -17.918 1.00 0.00 N ATOM 0 H ARG A 55 3.045 7.063 -13.937 1.00 0.00 H new ATOM 0 HA ARG A 55 1.434 9.125 -14.940 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.914 6.638 -14.158 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.603 7.382 -12.602 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.295 8.495 -13.352 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.630 8.780 -14.948 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.507 6.020 -13.970 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.561 7.098 -14.863 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.300 5.557 -15.950 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.075 8.471 -16.811 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.835 8.520 -18.325 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.578 5.563 -17.662 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.324 6.888 -18.803 1.00 0.00 H new ATOM 830 N TYR A 56 1.833 9.264 -11.645 1.00 0.00 N ATOM 831 CA TYR A 56 1.823 10.182 -10.509 1.00 0.00 C ATOM 832 C TYR A 56 3.156 10.916 -10.406 1.00 0.00 C ATOM 833 O TYR A 56 3.216 12.070 -9.982 1.00 0.00 O ATOM 834 CB TYR A 56 1.565 9.425 -9.199 1.00 0.00 C ATOM 835 CG TYR A 56 0.297 8.598 -9.306 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.861 9.138 -9.889 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.280 7.286 -8.813 1.00 0.00 C ATOM 838 CE1 TYR A 56 -2.026 8.368 -9.979 1.00 0.00 C ATOM 839 CE2 TYR A 56 -0.887 6.517 -8.904 1.00 0.00 C ATOM 840 CZ TYR A 56 -2.038 7.058 -9.487 1.00 0.00 C ATOM 841 OH TYR A 56 -3.188 6.299 -9.577 1.00 0.00 O ATOM 0 H TYR A 56 1.999 8.287 -11.404 1.00 0.00 H new ATOM 0 HA TYR A 56 1.021 10.903 -10.670 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.412 8.776 -8.974 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.477 10.132 -8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.852 10.149 -10.268 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.168 6.868 -8.362 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.916 8.785 -10.428 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.898 5.506 -8.524 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.949 5.352 -9.657 1.00 0.00 H new ATOM 851 N GLY A 57 4.228 10.233 -10.802 1.00 0.00 N ATOM 852 CA GLY A 57 5.562 10.827 -10.752 1.00 0.00 C ATOM 853 C GLY A 57 6.234 10.539 -9.413 1.00 0.00 C ATOM 854 O GLY A 57 7.038 11.332 -8.923 1.00 0.00 O ATOM 0 H GLY A 57 4.200 9.277 -11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.172 10.430 -11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.491 11.904 -10.904 1.00 0.00 H new ATOM 858 N VAL A 58 5.894 9.394 -8.829 1.00 0.00 N ATOM 859 CA VAL A 58 6.462 9.002 -7.547 1.00 0.00 C ATOM 860 C VAL A 58 7.865 8.424 -7.741 1.00 0.00 C ATOM 861 O VAL A 58 8.236 8.004 -8.837 1.00 0.00 O ATOM 862 CB VAL A 58 5.550 7.963 -6.879 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.428 6.719 -7.770 1.00 0.00 C ATOM 864 CG2 VAL A 58 6.120 7.567 -5.516 1.00 0.00 C ATOM 0 H VAL A 58 5.231 8.726 -9.222 1.00 0.00 H new ATOM 0 HA VAL A 58 6.537 9.881 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 58 4.561 8.401 -6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.779 5.988 -7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.003 7.002 -8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.415 6.283 -7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.467 6.830 -5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.114 7.140 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.186 8.449 -4.879 1.00 0.00 H new ATOM 874 N SER A 59 8.637 8.410 -6.658 1.00 0.00 N ATOM 875 CA SER A 59 9.999 7.883 -6.709 1.00 0.00 C ATOM 876 C SER A 59 10.117 6.627 -5.852 1.00 0.00 C ATOM 877 O SER A 59 10.065 6.688 -4.622 1.00 0.00 O ATOM 878 CB SER A 59 10.997 8.925 -6.207 1.00 0.00 C ATOM 879 OG SER A 59 11.106 9.971 -7.164 1.00 0.00 O ATOM 0 H SER A 59 8.347 8.754 -5.742 1.00 0.00 H new ATOM 0 HA SER A 59 10.225 7.637 -7.747 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.669 9.327 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.971 8.463 -6.043 1.00 0.00 H new ATOM 0 HG SER A 59 11.744 10.642 -6.844 1.00 0.00 H new ATOM 885 N ILE A 60 10.278 5.486 -6.516 1.00 0.00 N ATOM 886 CA ILE A 60 10.404 4.213 -5.811 1.00 0.00 C ATOM 887 C ILE A 60 11.542 3.382 -6.419 1.00 0.00 C ATOM 888 O ILE A 60 11.706 3.359 -7.638 1.00 0.00 O ATOM 889 CB ILE A 60 9.097 3.421 -5.912 1.00 0.00 C ATOM 890 CG1 ILE A 60 7.935 4.294 -5.435 1.00 0.00 C ATOM 891 CG2 ILE A 60 9.182 2.169 -5.036 1.00 0.00 C ATOM 892 CD1 ILE A 60 6.610 3.636 -5.823 1.00 0.00 C ATOM 0 H ILE A 60 10.324 5.416 -7.533 1.00 0.00 H new ATOM 0 HA ILE A 60 10.624 4.420 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 60 8.934 3.127 -6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.985 4.426 -4.354 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.005 5.286 -5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.250 1.609 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.009 1.544 -5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.347 2.461 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.782 4.258 -5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.561 3.527 -6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.541 2.653 -5.356 1.00 0.00 H new ATOM 904 N PRO A 61 12.347 2.690 -5.591 1.00 0.00 N ATOM 905 CA PRO A 61 13.461 1.871 -6.103 1.00 0.00 C ATOM 906 C PRO A 61 13.010 0.491 -6.580 1.00 0.00 C ATOM 907 O PRO A 61 11.944 0.004 -6.202 1.00 0.00 O ATOM 908 CB PRO A 61 14.367 1.755 -4.884 1.00 0.00 C ATOM 909 CG PRO A 61 13.493 1.968 -3.653 1.00 0.00 C ATOM 910 CD PRO A 61 12.212 2.671 -4.115 1.00 0.00 C ATOM 0 HA PRO A 61 13.938 2.314 -6.977 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.846 0.776 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.163 2.498 -4.924 1.00 0.00 H new ATOM 0 HG2 PRO A 61 13.258 1.015 -3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.016 2.572 -2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.320 2.130 -3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.136 3.678 -3.705 1.00 0.00 H new ATOM 918 N ASP A 62 13.840 -0.129 -7.414 1.00 0.00 N ATOM 919 CA ASP A 62 13.528 -1.455 -7.946 1.00 0.00 C ATOM 920 C ASP A 62 14.013 -2.566 -7.004 1.00 0.00 C ATOM 921 O ASP A 62 13.698 -3.738 -7.206 1.00 0.00 O ATOM 922 CB ASP A 62 14.192 -1.642 -9.316 1.00 0.00 C ATOM 923 CG ASP A 62 13.175 -1.373 -10.424 1.00 0.00 C ATOM 924 OD1 ASP A 62 12.033 -1.769 -10.261 1.00 0.00 O ATOM 925 OD2 ASP A 62 13.555 -0.774 -11.416 1.00 0.00 O ATOM 0 H ASP A 62 14.727 0.260 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 62 12.444 -1.524 -8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.040 -0.964 -9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.582 -2.656 -9.406 1.00 0.00 H new ATOM 930 N ASP A 63 14.788 -2.199 -5.983 1.00 0.00 N ATOM 931 CA ASP A 63 15.301 -3.189 -5.041 1.00 0.00 C ATOM 932 C ASP A 63 14.174 -3.768 -4.189 1.00 0.00 C ATOM 933 O ASP A 63 13.867 -4.957 -4.268 1.00 0.00 O ATOM 934 CB ASP A 63 16.345 -2.555 -4.118 1.00 0.00 C ATOM 935 CG ASP A 63 17.708 -2.573 -4.801 1.00 0.00 C ATOM 936 OD1 ASP A 63 17.796 -2.090 -5.918 1.00 0.00 O ATOM 937 OD2 ASP A 63 18.644 -3.071 -4.197 1.00 0.00 O ATOM 0 H ASP A 63 15.070 -1.238 -5.790 1.00 0.00 H new ATOM 0 HA ASP A 63 15.759 -3.991 -5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.060 -1.530 -3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.392 -3.101 -3.176 1.00 0.00 H new ATOM 942 N VAL A 64 13.568 -2.915 -3.367 1.00 0.00 N ATOM 943 CA VAL A 64 12.481 -3.355 -2.493 1.00 0.00 C ATOM 944 C VAL A 64 11.200 -3.596 -3.296 1.00 0.00 C ATOM 945 O VAL A 64 10.504 -4.592 -3.098 1.00 0.00 O ATOM 946 CB VAL A 64 12.224 -2.309 -1.394 1.00 0.00 C ATOM 947 CG1 VAL A 64 11.745 -0.991 -2.012 1.00 0.00 C ATOM 948 CG2 VAL A 64 11.163 -2.832 -0.421 1.00 0.00 C ATOM 0 H VAL A 64 13.806 -1.926 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 64 12.778 -4.295 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 64 13.156 -2.130 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.568 -0.262 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.506 -0.610 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.820 -1.162 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.984 -2.089 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.236 -3.023 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.513 -3.757 0.036 1.00 0.00 H new ATOM 958 N ALA A 65 10.898 -2.669 -4.199 1.00 0.00 N ATOM 959 CA ALA A 65 9.696 -2.785 -5.024 1.00 0.00 C ATOM 960 C ALA A 65 9.800 -3.983 -5.964 1.00 0.00 C ATOM 961 O ALA A 65 8.795 -4.597 -6.321 1.00 0.00 O ATOM 962 CB ALA A 65 9.492 -1.517 -5.853 1.00 0.00 C ATOM 0 H ALA A 65 11.460 -1.837 -4.379 1.00 0.00 H new ATOM 0 HA ALA A 65 8.846 -2.924 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.593 -1.620 -6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.383 -0.661 -5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.354 -1.364 -6.503 1.00 0.00 H new ATOM 968 N GLY A 66 11.026 -4.309 -6.362 1.00 0.00 N ATOM 969 CA GLY A 66 11.249 -5.436 -7.264 1.00 0.00 C ATOM 970 C GLY A 66 11.062 -6.760 -6.532 1.00 0.00 C ATOM 971 O GLY A 66 10.529 -7.721 -7.084 1.00 0.00 O ATOM 0 H GLY A 66 11.872 -3.816 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.556 -5.378 -8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.256 -5.383 -7.678 1.00 0.00 H new ATOM 975 N ARG A 67 11.508 -6.801 -5.281 1.00 0.00 N ATOM 976 CA ARG A 67 11.383 -8.015 -4.482 1.00 0.00 C ATOM 977 C ARG A 67 10.166 -7.923 -3.563 1.00 0.00 C ATOM 978 O ARG A 67 10.209 -8.333 -2.403 1.00 0.00 O ATOM 979 CB ARG A 67 12.640 -8.232 -3.637 1.00 0.00 C ATOM 980 CG ARG A 67 12.704 -9.693 -3.183 1.00 0.00 C ATOM 981 CD ARG A 67 14.068 -9.971 -2.551 1.00 0.00 C ATOM 982 NE ARG A 67 14.106 -9.487 -1.173 1.00 0.00 N ATOM 983 CZ ARG A 67 13.776 -10.282 -0.159 1.00 0.00 C ATOM 984 NH1 ARG A 67 14.679 -11.044 0.392 1.00 0.00 N ATOM 985 NH2 ARG A 67 12.548 -10.299 0.282 1.00 0.00 N ATOM 0 H ARG A 67 11.954 -6.018 -4.803 1.00 0.00 H new ATOM 0 HA ARG A 67 11.259 -8.858 -5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.528 -7.981 -4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.627 -7.571 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.910 -9.897 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.543 -10.356 -4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.273 -11.041 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.851 -9.485 -3.134 1.00 0.00 H new ATOM 0 HE ARG A 67 14.390 -8.525 -0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.638 -11.030 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.426 -11.654 1.170 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.842 -9.703 -0.151 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.294 -10.908 1.060 1.00 0.00 H new ATOM 999 N VAL A 68 9.076 -7.379 -4.098 1.00 0.00 N ATOM 1000 CA VAL A 68 7.850 -7.236 -3.319 1.00 0.00 C ATOM 1001 C VAL A 68 7.129 -8.582 -3.213 1.00 0.00 C ATOM 1002 O VAL A 68 6.631 -9.118 -4.204 1.00 0.00 O ATOM 1003 CB VAL A 68 6.924 -6.188 -3.961 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.487 -6.644 -5.357 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.685 -5.986 -3.082 1.00 0.00 C ATOM 0 H VAL A 68 9.016 -7.034 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 68 8.115 -6.899 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 68 7.470 -5.249 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.833 -5.892 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.366 -6.775 -5.989 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.951 -7.590 -5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.031 -5.243 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.149 -6.930 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.992 -5.640 -2.095 1.00 0.00 H new ATOM 1015 N ASP A 69 7.080 -9.117 -1.998 1.00 0.00 N ATOM 1016 CA ASP A 69 6.417 -10.398 -1.769 1.00 0.00 C ATOM 1017 C ASP A 69 5.031 -10.188 -1.164 1.00 0.00 C ATOM 1018 O ASP A 69 4.137 -11.016 -1.332 1.00 0.00 O ATOM 1019 CB ASP A 69 7.247 -11.269 -0.822 1.00 0.00 C ATOM 1020 CG ASP A 69 8.423 -11.869 -1.583 1.00 0.00 C ATOM 1021 OD1 ASP A 69 8.240 -12.222 -2.736 1.00 0.00 O ATOM 1022 OD2 ASP A 69 9.491 -11.969 -1.000 1.00 0.00 O ATOM 0 H ASP A 69 7.486 -8.691 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 69 6.318 -10.898 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.608 -10.672 0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.628 -12.063 -0.404 1.00 0.00 H new ATOM 1027 N THR A 70 4.859 -9.070 -0.459 1.00 0.00 N ATOM 1028 CA THR A 70 3.573 -8.768 0.159 1.00 0.00 C ATOM 1029 C THR A 70 2.794 -7.763 -0.698 1.00 0.00 C ATOM 1030 O THR A 70 3.394 -6.906 -1.348 1.00 0.00 O ATOM 1031 CB THR A 70 3.777 -8.180 1.558 1.00 0.00 C ATOM 1032 OG1 THR A 70 5.016 -7.485 1.601 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.787 -9.309 2.590 1.00 0.00 C ATOM 0 H THR A 70 5.584 -8.369 -0.304 1.00 0.00 H new ATOM 0 HA THR A 70 3.007 -9.697 0.236 1.00 0.00 H new ATOM 0 HB THR A 70 2.965 -7.490 1.786 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.148 -7.106 2.495 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.932 -8.890 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.837 -9.842 2.555 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.599 -10.000 2.365 1.00 0.00 H new ATOM 1041 N PRO A 71 1.452 -7.848 -0.716 1.00 0.00 N ATOM 1042 CA PRO A 71 0.624 -6.923 -1.514 1.00 0.00 C ATOM 1043 C PRO A 71 0.414 -5.582 -0.815 1.00 0.00 C ATOM 1044 O PRO A 71 0.536 -4.520 -1.424 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.694 -7.680 -1.628 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.757 -8.643 -0.449 1.00 0.00 C ATOM 1047 CD PRO A 71 0.676 -8.855 0.047 1.00 0.00 C ATOM 0 HA PRO A 71 1.081 -6.669 -2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.538 -6.990 -1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.747 -8.222 -2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.382 -8.236 0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.203 -9.591 -0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.757 -8.696 1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.025 -9.868 -0.153 1.00 0.00 H new ATOM 1055 N ARG A 72 0.100 -5.648 0.476 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.125 -4.437 1.263 1.00 0.00 C ATOM 1057 C ARG A 72 1.115 -3.541 1.253 1.00 0.00 C ATOM 1058 O ARG A 72 1.022 -2.338 1.496 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.466 -4.796 2.710 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.192 -3.621 3.368 1.00 0.00 C ATOM 1061 CD ARG A 72 -1.867 -4.094 4.656 1.00 0.00 C ATOM 1062 NE ARG A 72 -2.908 -3.155 5.065 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.196 -3.470 4.957 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -4.753 -4.251 5.842 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -4.903 -2.997 3.968 1.00 0.00 N ATOM 0 H ARG A 72 -0.004 -6.519 0.997 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.959 -3.900 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.094 -5.687 2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.444 -5.031 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.486 -2.821 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.936 -3.211 2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.301 -5.082 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.124 -4.190 5.448 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.644 -2.244 5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.201 -4.620 6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.741 -4.493 5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.468 -2.385 3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.890 -3.239 3.886 1.00 0.00 H new ATOM 1079 N GLU A 73 2.276 -4.134 0.973 1.00 0.00 N ATOM 1080 CA GLU A 73 3.518 -3.368 0.939 1.00 0.00 C ATOM 1081 C GLU A 73 3.579 -2.510 -0.321 1.00 0.00 C ATOM 1082 O GLU A 73 4.042 -1.371 -0.291 1.00 0.00 O ATOM 1083 CB GLU A 73 4.726 -4.308 0.961 1.00 0.00 C ATOM 1084 CG GLU A 73 6.007 -3.490 1.138 1.00 0.00 C ATOM 1085 CD GLU A 73 6.283 -3.289 2.624 1.00 0.00 C ATOM 1086 OE1 GLU A 73 6.709 -4.238 3.261 1.00 0.00 O ATOM 1087 OE2 GLU A 73 6.065 -2.188 3.103 1.00 0.00 O ATOM 0 H GLU A 73 2.381 -5.128 0.769 1.00 0.00 H new ATOM 0 HA GLU A 73 3.542 -2.725 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.626 -5.027 1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.772 -4.880 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.846 -4.003 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.906 -2.524 0.643 1.00 0.00 H new ATOM 1094 N LEU A 74 3.104 -3.073 -1.431 1.00 0.00 N ATOM 1095 CA LEU A 74 3.107 -2.352 -2.704 1.00 0.00 C ATOM 1096 C LEU A 74 2.263 -1.085 -2.602 1.00 0.00 C ATOM 1097 O LEU A 74 2.684 -0.007 -3.024 1.00 0.00 O ATOM 1098 CB LEU A 74 2.553 -3.237 -3.822 1.00 0.00 C ATOM 1099 CG LEU A 74 3.047 -2.722 -5.175 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.418 -3.326 -5.482 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.056 -3.129 -6.267 1.00 0.00 C ATOM 0 H LEU A 74 2.716 -4.015 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 74 4.137 -2.081 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.873 -4.269 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.463 -3.234 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 74 3.128 -1.635 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.770 -2.959 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.125 -3.038 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.338 -4.413 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.407 -2.763 -7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.976 -4.216 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.078 -2.699 -6.050 1.00 0.00 H new ATOM 1113 N LEU A 75 1.069 -1.223 -2.033 1.00 0.00 N ATOM 1114 CA LEU A 75 0.171 -0.081 -1.873 1.00 0.00 C ATOM 1115 C LEU A 75 0.820 0.971 -0.977 1.00 0.00 C ATOM 1116 O LEU A 75 0.862 2.148 -1.315 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.162 -0.537 -1.258 1.00 0.00 C ATOM 1118 CG LEU A 75 -2.117 0.653 -1.081 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.943 0.854 -2.351 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -3.054 0.364 0.090 1.00 0.00 C ATOM 0 H LEU A 75 0.702 -2.106 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.022 0.354 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.625 -1.288 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.980 -1.009 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.539 1.557 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.617 1.700 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.277 1.051 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.525 -0.045 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.737 1.203 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.626 -0.540 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.468 0.223 0.998 1.00 0.00 H new ATOM 1132 N ASP A 76 1.319 0.534 0.169 1.00 0.00 N ATOM 1133 CA ASP A 76 1.964 1.453 1.106 1.00 0.00 C ATOM 1134 C ASP A 76 3.312 1.954 0.567 1.00 0.00 C ATOM 1135 O ASP A 76 3.912 2.865 1.139 1.00 0.00 O ATOM 1136 CB ASP A 76 2.196 0.763 2.451 1.00 0.00 C ATOM 1137 CG ASP A 76 0.924 0.831 3.287 1.00 0.00 C ATOM 1138 OD1 ASP A 76 -0.003 0.102 2.981 1.00 0.00 O ATOM 1139 OD2 ASP A 76 0.896 1.612 4.225 1.00 0.00 O ATOM 0 H ASP A 76 1.293 -0.439 0.474 1.00 0.00 H new ATOM 0 HA ASP A 76 1.298 2.306 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.484 -0.276 2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.018 1.244 2.981 1.00 0.00 H new ATOM 1144 N LEU A 77 3.790 1.355 -0.528 1.00 0.00 N ATOM 1145 CA LEU A 77 5.070 1.763 -1.106 1.00 0.00 C ATOM 1146 C LEU A 77 4.905 2.999 -1.988 1.00 0.00 C ATOM 1147 O LEU A 77 5.493 4.047 -1.724 1.00 0.00 O ATOM 1148 CB LEU A 77 5.663 0.627 -1.945 1.00 0.00 C ATOM 1149 CG LEU A 77 7.087 0.988 -2.366 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.983 1.063 -1.129 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.624 -0.083 -3.319 1.00 0.00 C ATOM 0 H LEU A 77 3.318 0.599 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 77 5.743 2.002 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.667 -0.299 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.046 0.452 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 77 7.082 1.955 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.998 1.320 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.602 1.825 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.988 0.097 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.640 0.174 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.628 -1.049 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.987 -0.137 -4.202 1.00 0.00 H new ATOM 1163 N ILE A 78 4.102 2.865 -3.042 1.00 0.00 N ATOM 1164 CA ILE A 78 3.875 3.983 -3.959 1.00 0.00 C ATOM 1165 C ILE A 78 3.046 5.066 -3.274 1.00 0.00 C ATOM 1166 O ILE A 78 3.316 6.259 -3.405 1.00 0.00 O ATOM 1167 CB ILE A 78 3.134 3.505 -5.214 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.897 2.331 -5.848 1.00 0.00 C ATOM 1169 CG2 ILE A 78 3.037 4.653 -6.223 1.00 0.00 C ATOM 1170 CD1 ILE A 78 2.903 1.271 -6.329 1.00 0.00 C ATOM 0 H ILE A 78 3.604 2.008 -3.281 1.00 0.00 H new ATOM 0 HA ILE A 78 4.845 4.390 -4.245 1.00 0.00 H new ATOM 0 HB ILE A 78 2.131 3.179 -4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.499 2.685 -6.685 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.584 1.897 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.510 4.311 -7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.492 5.485 -5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.039 4.981 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.446 0.440 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.320 0.908 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.234 1.709 -7.069 1.00 0.00 H new ATOM 1182 N ASN A 79 2.029 4.622 -2.548 1.00 0.00 N ATOM 1183 CA ASN A 79 1.139 5.534 -1.835 1.00 0.00 C ATOM 1184 C ASN A 79 1.898 6.303 -0.758 1.00 0.00 C ATOM 1185 O ASN A 79 1.752 7.517 -0.623 1.00 0.00 O ATOM 1186 CB ASN A 79 0.008 4.744 -1.175 1.00 0.00 C ATOM 1187 CG ASN A 79 -1.055 5.695 -0.637 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.836 6.905 -0.544 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -2.209 5.211 -0.270 1.00 0.00 N ATOM 0 H ASN A 79 1.798 3.635 -2.436 1.00 0.00 H new ATOM 0 HA ASN A 79 0.731 6.242 -2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.438 4.060 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.406 4.135 -0.363 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.931 5.833 0.094 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.390 4.210 -0.347 1.00 0.00 H new ATOM 1196 N GLY A 80 2.704 5.579 0.014 1.00 0.00 N ATOM 1197 CA GLY A 80 3.480 6.200 1.086 1.00 0.00 C ATOM 1198 C GLY A 80 4.562 7.120 0.526 1.00 0.00 C ATOM 1199 O GLY A 80 4.981 8.073 1.182 1.00 0.00 O ATOM 0 H GLY A 80 2.837 4.572 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.816 6.770 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.940 5.426 1.700 1.00 0.00 H new ATOM 1203 N ALA A 81 5.013 6.827 -0.692 1.00 0.00 N ATOM 1204 CA ALA A 81 6.050 7.639 -1.324 1.00 0.00 C ATOM 1205 C ALA A 81 5.470 8.963 -1.812 1.00 0.00 C ATOM 1206 O ALA A 81 6.152 9.988 -1.828 1.00 0.00 O ATOM 1207 CB ALA A 81 6.661 6.896 -2.514 1.00 0.00 C ATOM 0 H ALA A 81 4.682 6.044 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 81 6.823 7.833 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.432 7.515 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.104 5.961 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.883 6.682 -3.247 1.00 0.00 H new ATOM 1213 N LEU A 82 4.202 8.930 -2.211 1.00 0.00 N ATOM 1214 CA LEU A 82 3.533 10.131 -2.703 1.00 0.00 C ATOM 1215 C LEU A 82 3.118 11.029 -1.537 1.00 0.00 C ATOM 1216 O LEU A 82 3.065 12.252 -1.666 1.00 0.00 O ATOM 1217 CB LEU A 82 2.288 9.751 -3.518 1.00 0.00 C ATOM 1218 CG LEU A 82 2.219 10.602 -4.788 1.00 0.00 C ATOM 1219 CD1 LEU A 82 1.389 9.873 -5.848 1.00 0.00 C ATOM 1220 CD2 LEU A 82 1.562 11.945 -4.463 1.00 0.00 C ATOM 0 H LEU A 82 3.620 8.092 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 82 4.232 10.672 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.322 8.693 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.390 9.902 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 82 3.226 10.770 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.340 10.480 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.854 8.915 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.381 9.705 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.512 12.553 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.555 11.775 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.151 12.465 -3.708 1.00 0.00 H new ATOM 1232 N ALA A 83 2.822 10.406 -0.400 1.00 0.00 N ATOM 1233 CA ALA A 83 2.409 11.154 0.784 1.00 0.00 C ATOM 1234 C ALA A 83 3.612 11.811 1.451 1.00 0.00 C ATOM 1235 O ALA A 83 3.508 12.896 2.024 1.00 0.00 O ATOM 1236 CB ALA A 83 1.730 10.223 1.791 1.00 0.00 C ATOM 0 H ALA A 83 2.860 9.395 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 83 1.707 11.925 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.428 10.795 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.851 9.770 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.427 9.440 2.090 1.00 0.00 H new ATOM 1242 N GLU A 84 4.756 11.139 1.372 1.00 0.00 N ATOM 1243 CA GLU A 84 5.980 11.662 1.973 1.00 0.00 C ATOM 1244 C GLU A 84 7.038 11.903 0.899 1.00 0.00 C ATOM 1245 O GLU A 84 8.221 11.618 1.091 1.00 0.00 O ATOM 1246 CB GLU A 84 6.526 10.679 3.012 1.00 0.00 C ATOM 1247 CG GLU A 84 5.748 10.834 4.319 1.00 0.00 C ATOM 1248 CD GLU A 84 6.395 9.977 5.401 1.00 0.00 C ATOM 1249 OE1 GLU A 84 6.558 8.790 5.171 1.00 0.00 O ATOM 1250 OE2 GLU A 84 6.716 10.519 6.446 1.00 0.00 O ATOM 0 H GLU A 84 4.862 10.240 0.903 1.00 0.00 H new ATOM 0 HA GLU A 84 5.743 12.607 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.438 9.657 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.586 10.866 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.737 11.880 4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.710 10.534 4.175 1.00 0.00 H new ATOM 1257 N ALA A 85 6.597 12.435 -0.237 1.00 0.00 N ATOM 1258 CA ALA A 85 7.512 12.714 -1.341 1.00 0.00 C ATOM 1259 C ALA A 85 8.552 13.747 -0.920 1.00 0.00 C ATOM 1260 O ALA A 85 9.720 13.664 -1.300 1.00 0.00 O ATOM 1261 CB ALA A 85 6.743 13.244 -2.553 1.00 0.00 C ATOM 0 H ALA A 85 5.623 12.680 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 85 8.012 11.783 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.440 13.447 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.015 12.500 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.225 14.164 -2.281 1.00 0.00 H new ATOM 1267 N ALA A 86 8.111 14.723 -0.128 1.00 0.00 N ATOM 1268 CA ALA A 86 9.009 15.777 0.346 1.00 0.00 C ATOM 1269 C ALA A 86 9.604 16.544 -0.830 1.00 0.00 C ATOM 1270 O ALA A 86 10.609 17.207 -0.632 1.00 0.00 O ATOM 1271 CB ALA A 86 10.145 15.180 1.179 1.00 0.00 C ATOM 1272 OXT ALA A 86 9.047 16.459 -1.911 1.00 0.00 O ATOM 0 H ALA A 86 7.148 14.807 0.197 1.00 0.00 H new ATOM 0 HA ALA A 86 8.426 16.459 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.803 15.978 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.729 14.657 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.714 14.479 0.569 1.00 0.00 H new