USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 537 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 -160:sc= 0.124 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 17 SER OG : rot 85:sc= 1.03 USER MOD Single : A 40 TYR OH : rot 177:sc= 0.334 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00365 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 77:sc= 0.628 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -10:sc= 0.48 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 79 ASN : amide:sc= 0.747 K(o=0.75,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -11.716 -8.579 0.810 1.00 0.86 N ATOM 45 CA LEU A 4 -10.559 -7.957 1.447 1.00 0.72 C ATOM 46 C LEU A 4 -9.244 -8.583 1.005 1.00 0.67 C ATOM 47 O LEU A 4 -9.173 -9.802 0.714 1.00 0.83 O ATOM 48 CB LEU A 4 -10.674 -8.017 2.984 1.00 0.71 C ATOM 49 CG LEU A 4 -11.676 -7.060 3.696 1.00 0.87 C ATOM 50 CD1 LEU A 4 -13.117 -7.306 3.294 1.00 0.80 C ATOM 51 CD2 LEU A 4 -11.527 -7.173 5.207 1.00 1.75 C ATOM 0 HA LEU A 4 -10.555 -6.915 1.126 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -10.942 -9.038 3.256 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.684 -7.826 3.397 1.00 0.71 H new ATOM 0 HG LEU A 4 -11.427 -6.049 3.375 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -13.766 -6.609 3.823 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -13.225 -7.159 2.219 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -13.397 -8.328 3.550 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -12.232 -6.499 5.694 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -11.731 -8.198 5.517 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -10.511 -6.903 5.494 1.00 1.75 H new ATOM 63 N LEU A 5 -8.221 -7.749 0.947 1.00 0.55 N ATOM 64 CA LEU A 5 -6.865 -8.166 0.621 1.00 0.51 C ATOM 65 C LEU A 5 -6.055 -8.410 1.882 1.00 0.46 C ATOM 66 O LEU A 5 -6.428 -7.952 2.962 1.00 0.50 O ATOM 67 CB LEU A 5 -6.121 -7.188 -0.324 1.00 0.53 C ATOM 68 CG LEU A 5 -6.265 -5.681 -0.065 1.00 0.62 C ATOM 69 CD1 LEU A 5 -5.030 -4.941 -0.583 1.00 0.66 C ATOM 70 CD2 LEU A 5 -7.476 -5.163 -0.821 1.00 0.95 C ATOM 0 H LEU A 5 -8.308 -6.749 1.127 1.00 0.55 H new ATOM 0 HA LEU A 5 -6.966 -9.102 0.071 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -5.059 -7.432 -0.288 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -6.459 -7.385 -1.341 1.00 0.53 H new ATOM 0 HG LEU A 5 -6.375 -5.514 1.006 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -5.140 -3.873 -0.395 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -4.143 -5.310 -0.069 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -4.926 -5.112 -1.654 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -7.586 -4.093 -0.643 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -7.342 -5.341 -1.888 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -8.370 -5.682 -0.476 1.00 0.95 H new ATOM 82 N THR A 6 -4.955 -9.113 1.753 1.00 0.47 N ATOM 83 CA THR A 6 -4.147 -9.463 2.890 1.00 0.49 C ATOM 84 C THR A 6 -2.864 -8.637 2.936 1.00 0.40 C ATOM 85 O THR A 6 -2.610 -7.793 2.063 1.00 0.38 O ATOM 86 CB THR A 6 -3.770 -10.951 2.868 1.00 0.70 C ATOM 87 OG1 THR A 6 -3.013 -11.240 1.666 1.00 0.82 O ATOM 88 CG2 THR A 6 -5.012 -11.831 2.912 1.00 0.93 C ATOM 0 H THR A 6 -4.599 -9.456 0.861 1.00 0.47 H new ATOM 0 HA THR A 6 -4.746 -9.252 3.776 1.00 0.49 H new ATOM 0 HB THR A 6 -3.166 -11.166 3.749 1.00 0.70 H new ATOM 0 HG1 THR A 6 -3.043 -12.202 1.484 1.00 0.82 H new ATOM 0 HG21 THR A 6 -4.716 -12.880 2.895 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.571 -11.626 3.825 1.00 0.93 H new ATOM 0 HG23 THR A 6 -5.640 -11.618 2.047 1.00 0.93 H new ATOM 96 N THR A 7 -2.032 -8.926 3.917 1.00 0.44 N ATOM 97 CA THR A 7 -0.742 -8.311 4.057 1.00 0.42 C ATOM 98 C THR A 7 0.217 -8.907 3.017 1.00 0.37 C ATOM 99 O THR A 7 1.209 -8.295 2.640 1.00 0.39 O ATOM 100 CB THR A 7 -0.229 -8.599 5.468 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.345 -8.497 6.367 1.00 0.58 O ATOM 102 CG2 THR A 7 0.844 -7.601 5.877 1.00 0.54 C ATOM 0 H THR A 7 -2.244 -9.606 4.647 1.00 0.44 H new ATOM 0 HA THR A 7 -0.808 -7.235 3.898 1.00 0.42 H new ATOM 0 HB THR A 7 0.214 -9.595 5.499 1.00 0.50 H new ATOM 0 HG1 THR A 7 -1.046 -8.679 7.282 1.00 0.58 H new ATOM 0 HG21 THR A 7 1.190 -7.831 6.885 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.682 -7.663 5.183 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.430 -6.593 5.857 1.00 0.54 H new ATOM 110 N ASP A 8 -0.124 -10.106 2.543 1.00 0.41 N ATOM 111 CA ASP A 8 0.658 -10.784 1.523 1.00 0.46 C ATOM 112 C ASP A 8 0.432 -10.118 0.193 1.00 0.42 C ATOM 113 O ASP A 8 1.370 -9.858 -0.545 1.00 0.47 O ATOM 114 CB ASP A 8 0.305 -12.268 1.447 1.00 0.62 C ATOM 115 CG ASP A 8 0.930 -12.962 0.244 1.00 1.41 C ATOM 116 OD1 ASP A 8 2.152 -12.901 0.078 1.00 1.98 O ATOM 117 OD2 ASP A 8 0.188 -13.541 -0.568 1.00 2.01 O ATOM 0 H ASP A 8 -0.944 -10.626 2.856 1.00 0.41 H new ATOM 0 HA ASP A 8 1.713 -10.712 1.789 1.00 0.46 H new ATOM 0 HB2 ASP A 8 0.637 -12.763 2.359 1.00 0.62 H new ATOM 0 HB3 ASP A 8 -0.779 -12.377 1.401 1.00 0.62 H new ATOM 122 N ASP A 9 -0.802 -9.799 -0.064 1.00 0.41 N ATOM 123 CA ASP A 9 -1.187 -9.115 -1.283 1.00 0.46 C ATOM 124 C ASP A 9 -0.474 -7.754 -1.327 1.00 0.40 C ATOM 125 O ASP A 9 0.194 -7.400 -2.314 1.00 0.46 O ATOM 126 CB ASP A 9 -2.701 -8.935 -1.276 1.00 0.54 C ATOM 127 CG ASP A 9 -3.255 -8.615 -2.615 1.00 0.98 C ATOM 128 OD1 ASP A 9 -3.324 -7.457 -2.991 1.00 1.21 O ATOM 129 OD2 ASP A 9 -3.668 -9.550 -3.325 1.00 1.83 O ATOM 0 H ASP A 9 -1.580 -10.003 0.563 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.902 -9.689 -2.165 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -3.168 -9.847 -0.905 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.963 -8.137 -0.581 1.00 0.54 H new ATOM 134 N LEU A 10 -0.560 -7.050 -0.195 1.00 0.36 N ATOM 135 CA LEU A 10 0.091 -5.759 0.032 1.00 0.35 C ATOM 136 C LEU A 10 1.625 -5.842 -0.174 1.00 0.33 C ATOM 137 O LEU A 10 2.192 -5.055 -0.938 1.00 0.36 O ATOM 138 CB LEU A 10 -0.209 -5.295 1.475 1.00 0.37 C ATOM 139 CG LEU A 10 0.323 -3.918 1.903 1.00 0.41 C ATOM 140 CD1 LEU A 10 -0.331 -2.818 1.083 1.00 0.51 C ATOM 141 CD2 LEU A 10 0.073 -3.697 3.391 1.00 0.48 C ATOM 0 H LEU A 10 -1.099 -7.372 0.609 1.00 0.36 H new ATOM 0 HA LEU A 10 -0.302 -5.046 -0.693 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.291 -5.294 1.610 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.197 -6.040 2.159 1.00 0.37 H new ATOM 0 HG LEU A 10 1.398 -3.887 1.723 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.057 -1.849 1.399 1.00 0.51 H new ATOM 0 HD12 LEU A 10 -0.109 -2.971 0.027 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -1.410 -2.844 1.235 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.454 -2.718 3.683 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -0.997 -3.744 3.591 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.583 -4.471 3.965 1.00 0.48 H new ATOM 153 N ARG A 11 2.279 -6.808 0.490 1.00 0.33 N ATOM 154 CA ARG A 11 3.747 -6.931 0.434 1.00 0.37 C ATOM 155 C ARG A 11 4.263 -7.168 -0.982 1.00 0.39 C ATOM 156 O ARG A 11 5.304 -6.631 -1.359 1.00 0.45 O ATOM 157 CB ARG A 11 4.307 -8.014 1.414 1.00 0.45 C ATOM 158 CG ARG A 11 3.906 -9.447 1.098 1.00 0.72 C ATOM 159 CD ARG A 11 4.445 -10.460 2.101 1.00 0.63 C ATOM 160 NE ARG A 11 4.024 -11.823 1.732 1.00 1.12 N ATOM 161 CZ ARG A 11 4.291 -12.982 2.374 1.00 1.36 C ATOM 162 NH1 ARG A 11 5.008 -13.018 3.493 1.00 1.47 N ATOM 163 NH2 ARG A 11 3.798 -14.105 1.878 1.00 2.27 N ATOM 0 H ARG A 11 1.820 -7.511 1.068 1.00 0.33 H new ATOM 0 HA ARG A 11 4.126 -5.965 0.767 1.00 0.37 H new ATOM 0 HB2 ARG A 11 5.395 -7.951 1.416 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.972 -7.775 2.423 1.00 0.45 H new ATOM 0 HG2 ARG A 11 2.818 -9.515 1.072 1.00 0.72 H new ATOM 0 HG3 ARG A 11 4.265 -9.706 0.102 1.00 0.72 H new ATOM 0 HD2 ARG A 11 5.533 -10.405 2.134 1.00 0.63 H new ATOM 0 HD3 ARG A 11 4.083 -10.219 3.101 1.00 0.63 H new ATOM 0 HE ARG A 11 3.460 -11.902 0.886 1.00 1.12 H new ATOM 0 HH11 ARG A 11 5.375 -12.154 3.892 1.00 1.47 H new ATOM 0 HH12 ARG A 11 5.191 -13.910 3.953 1.00 1.47 H new ATOM 0 HH21 ARG A 11 3.231 -14.083 1.030 1.00 2.27 H new ATOM 0 HH22 ARG A 11 3.985 -14.993 2.343 1.00 2.27 H new ATOM 177 N ARG A 12 3.533 -7.951 -1.763 1.00 0.40 N ATOM 178 CA ARG A 12 3.943 -8.255 -3.123 1.00 0.48 C ATOM 179 C ARG A 12 3.919 -7.005 -3.975 1.00 0.47 C ATOM 180 O ARG A 12 4.956 -6.586 -4.493 1.00 0.50 O ATOM 181 CB ARG A 12 3.053 -9.319 -3.767 1.00 0.56 C ATOM 182 CG ARG A 12 3.000 -10.644 -3.049 1.00 0.94 C ATOM 183 CD ARG A 12 2.179 -11.636 -3.836 1.00 1.18 C ATOM 184 NE ARG A 12 1.843 -12.836 -3.063 1.00 1.76 N ATOM 185 CZ ARG A 12 1.608 -14.043 -3.599 1.00 2.29 C ATOM 186 NH1 ARG A 12 1.989 -14.312 -4.853 1.00 2.31 N ATOM 187 NH2 ARG A 12 1.061 -14.990 -2.860 1.00 3.30 N ATOM 0 H ARG A 12 2.656 -8.386 -1.477 1.00 0.40 H new ATOM 0 HA ARG A 12 4.959 -8.647 -3.068 1.00 0.48 H new ATOM 0 HB2 ARG A 12 2.040 -8.924 -3.840 1.00 0.56 H new ATOM 0 HB3 ARG A 12 3.402 -9.491 -4.785 1.00 0.56 H new ATOM 0 HG2 ARG A 12 4.010 -11.029 -2.908 1.00 0.94 H new ATOM 0 HG3 ARG A 12 2.568 -10.510 -2.057 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.260 -11.156 -4.170 1.00 1.18 H new ATOM 0 HD3 ARG A 12 2.730 -11.928 -4.730 1.00 1.18 H new ATOM 0 HE ARG A 12 1.784 -12.747 -2.049 1.00 1.76 H new ATOM 0 HH11 ARG A 12 2.461 -13.597 -5.407 1.00 2.31 H new ATOM 0 HH12 ARG A 12 1.807 -15.232 -5.255 1.00 2.31 H new ATOM 0 HH21 ARG A 12 0.819 -14.802 -1.887 1.00 3.30 H new ATOM 0 HH22 ARG A 12 0.880 -15.910 -3.262 1.00 3.30 H new ATOM 201 N ALA A 13 2.745 -6.372 -4.043 1.00 0.47 N ATOM 202 CA ALA A 13 2.525 -5.190 -4.880 1.00 0.53 C ATOM 203 C ALA A 13 3.490 -4.061 -4.543 1.00 0.46 C ATOM 204 O ALA A 13 3.904 -3.307 -5.434 1.00 0.48 O ATOM 205 CB ALA A 13 1.088 -4.719 -4.769 1.00 0.63 C ATOM 0 H ALA A 13 1.920 -6.665 -3.519 1.00 0.47 H new ATOM 0 HA ALA A 13 2.720 -5.482 -5.912 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.944 -3.840 -5.398 1.00 0.63 H new ATOM 0 HB2 ALA A 13 0.418 -5.514 -5.097 1.00 0.63 H new ATOM 0 HB3 ALA A 13 0.868 -4.464 -3.732 1.00 0.63 H new ATOM 211 N LEU A 14 3.856 -3.970 -3.267 1.00 0.42 N ATOM 212 CA LEU A 14 4.793 -2.965 -2.790 1.00 0.39 C ATOM 213 C LEU A 14 6.174 -3.200 -3.436 1.00 0.40 C ATOM 214 O LEU A 14 6.776 -2.285 -4.009 1.00 0.46 O ATOM 215 CB LEU A 14 4.879 -3.042 -1.248 1.00 0.45 C ATOM 216 CG LEU A 14 5.616 -1.902 -0.517 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.866 -0.573 -0.653 1.00 0.44 C ATOM 218 CD2 LEU A 14 5.802 -2.251 0.947 1.00 1.00 C ATOM 0 H LEU A 14 3.509 -4.592 -2.537 1.00 0.42 H new ATOM 0 HA LEU A 14 4.451 -1.969 -3.069 1.00 0.39 H new ATOM 0 HB2 LEU A 14 3.863 -3.090 -0.857 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.367 -3.981 -0.985 1.00 0.45 H new ATOM 0 HG LEU A 14 6.594 -1.784 -0.983 1.00 0.54 H new ATOM 0 HD11 LEU A 14 5.413 0.209 -0.126 1.00 0.44 H new ATOM 0 HD12 LEU A 14 4.781 -0.309 -1.707 1.00 0.44 H new ATOM 0 HD13 LEU A 14 3.870 -0.672 -0.222 1.00 0.44 H new ATOM 0 HD21 LEU A 14 6.324 -1.438 1.451 1.00 1.00 H new ATOM 0 HD22 LEU A 14 4.828 -2.401 1.412 1.00 1.00 H new ATOM 0 HD23 LEU A 14 6.389 -3.166 1.031 1.00 1.00 H new ATOM 230 N VAL A 15 6.625 -4.448 -3.413 1.00 0.44 N ATOM 231 CA VAL A 15 7.924 -4.817 -3.964 1.00 0.53 C ATOM 232 C VAL A 15 7.916 -4.760 -5.504 1.00 0.55 C ATOM 233 O VAL A 15 8.889 -4.341 -6.132 1.00 0.64 O ATOM 234 CB VAL A 15 8.377 -6.228 -3.466 1.00 0.61 C ATOM 235 CG1 VAL A 15 9.704 -6.646 -4.094 1.00 0.74 C ATOM 236 CG2 VAL A 15 8.501 -6.238 -1.950 1.00 0.64 C ATOM 0 H VAL A 15 6.104 -5.229 -3.014 1.00 0.44 H new ATOM 0 HA VAL A 15 8.647 -4.086 -3.602 1.00 0.53 H new ATOM 0 HB VAL A 15 7.615 -6.945 -3.773 1.00 0.61 H new ATOM 0 HG11 VAL A 15 9.987 -7.632 -3.724 1.00 0.74 H new ATOM 0 HG12 VAL A 15 9.598 -6.682 -5.178 1.00 0.74 H new ATOM 0 HG13 VAL A 15 10.476 -5.924 -3.828 1.00 0.74 H new ATOM 0 HG21 VAL A 15 8.817 -7.227 -1.617 1.00 0.64 H new ATOM 0 HG22 VAL A 15 9.239 -5.498 -1.640 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.536 -5.997 -1.504 1.00 0.64 H new ATOM 246 N GLU A 16 6.805 -5.147 -6.096 1.00 0.59 N ATOM 247 CA GLU A 16 6.647 -5.148 -7.549 1.00 0.69 C ATOM 248 C GLU A 16 6.613 -3.716 -8.104 1.00 0.65 C ATOM 249 O GLU A 16 6.868 -3.486 -9.295 1.00 0.77 O ATOM 250 CB GLU A 16 5.402 -5.959 -7.937 1.00 0.89 C ATOM 251 CG GLU A 16 5.493 -7.412 -7.452 1.00 1.11 C ATOM 252 CD GLU A 16 4.265 -8.237 -7.736 1.00 1.54 C ATOM 253 OE1 GLU A 16 3.146 -7.804 -7.351 1.00 2.18 O ATOM 254 OE2 GLU A 16 4.382 -9.281 -8.410 1.00 1.95 O ATOM 0 H GLU A 16 5.981 -5.471 -5.589 1.00 0.59 H new ATOM 0 HA GLU A 16 7.512 -5.631 -8.003 1.00 0.69 H new ATOM 0 HB2 GLU A 16 4.515 -5.489 -7.512 1.00 0.89 H new ATOM 0 HB3 GLU A 16 5.282 -5.944 -9.020 1.00 0.89 H new ATOM 0 HG2 GLU A 16 6.353 -7.887 -7.924 1.00 1.11 H new ATOM 0 HG3 GLU A 16 5.677 -7.414 -6.378 1.00 1.11 H new ATOM 261 N SER A 17 6.351 -2.758 -7.226 1.00 0.59 N ATOM 262 CA SER A 17 6.337 -1.358 -7.602 1.00 0.64 C ATOM 263 C SER A 17 7.561 -0.626 -6.999 1.00 0.74 C ATOM 264 O SER A 17 7.649 0.599 -7.045 1.00 1.04 O ATOM 265 CB SER A 17 5.040 -0.721 -7.105 1.00 0.68 C ATOM 266 OG SER A 17 3.914 -1.501 -7.499 1.00 1.27 O ATOM 0 H SER A 17 6.144 -2.930 -6.242 1.00 0.59 H new ATOM 0 HA SER A 17 6.391 -1.273 -8.687 1.00 0.64 H new ATOM 0 HB2 SER A 17 5.065 -0.632 -6.019 1.00 0.68 H new ATOM 0 HB3 SER A 17 4.948 0.289 -7.505 1.00 0.68 H new ATOM 0 HG SER A 17 3.768 -2.217 -6.846 1.00 1.27 H new ATOM 272 N ALA A 18 8.519 -1.399 -6.452 1.00 0.70 N ATOM 273 CA ALA A 18 9.701 -0.813 -5.818 1.00 0.87 C ATOM 274 C ALA A 18 10.684 -0.297 -6.856 1.00 1.05 C ATOM 275 O ALA A 18 11.269 0.772 -6.698 1.00 1.57 O ATOM 276 CB ALA A 18 10.375 -1.799 -4.882 1.00 0.95 C ATOM 0 H ALA A 18 8.493 -2.419 -6.439 1.00 0.70 H new ATOM 0 HA ALA A 18 9.363 0.035 -5.222 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.249 -1.331 -4.428 1.00 0.95 H new ATOM 0 HB2 ALA A 18 9.675 -2.095 -4.100 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.686 -2.680 -5.444 1.00 0.95 H new ATOM 400 N ASP A 29 7.482 -8.057 8.656 1.00 0.90 N ATOM 401 CA ASP A 29 7.862 -6.861 9.399 1.00 0.83 C ATOM 402 C ASP A 29 7.987 -5.680 8.453 1.00 0.79 C ATOM 403 O ASP A 29 9.004 -5.519 7.792 1.00 1.33 O ATOM 404 CB ASP A 29 9.214 -7.050 10.113 1.00 1.20 C ATOM 405 CG ASP A 29 9.254 -8.192 11.093 1.00 1.95 C ATOM 406 OD1 ASP A 29 9.464 -9.355 10.658 1.00 2.44 O ATOM 407 OD2 ASP A 29 9.110 -7.963 12.310 1.00 2.68 O ATOM 0 HA ASP A 29 7.086 -6.678 10.142 1.00 0.83 H new ATOM 0 HB2 ASP A 29 9.988 -7.207 9.361 1.00 1.20 H new ATOM 0 HB3 ASP A 29 9.463 -6.129 10.639 1.00 1.20 H new ATOM 412 N PHE A 30 6.923 -4.904 8.350 1.00 0.42 N ATOM 413 CA PHE A 30 6.899 -3.696 7.548 1.00 0.36 C ATOM 414 C PHE A 30 5.652 -2.887 7.848 1.00 0.32 C ATOM 415 O PHE A 30 5.615 -1.696 7.597 1.00 0.35 O ATOM 416 CB PHE A 30 7.069 -3.934 6.029 1.00 0.37 C ATOM 417 CG PHE A 30 5.848 -4.493 5.318 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.520 -5.832 5.433 1.00 0.40 C ATOM 419 CD2 PHE A 30 5.040 -3.681 4.541 1.00 0.38 C ATOM 420 CE1 PHE A 30 4.411 -6.354 4.800 1.00 0.46 C ATOM 421 CE2 PHE A 30 3.926 -4.197 3.902 1.00 0.42 C ATOM 422 CZ PHE A 30 3.613 -5.535 4.033 1.00 0.46 C ATOM 0 H PHE A 30 6.042 -5.098 8.826 1.00 0.42 H new ATOM 0 HA PHE A 30 7.779 -3.123 7.840 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.342 -2.990 5.558 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.903 -4.619 5.877 1.00 0.37 H new ATOM 0 HD1 PHE A 30 6.144 -6.481 6.030 1.00 0.40 H new ATOM 0 HD2 PHE A 30 5.281 -2.634 4.432 1.00 0.38 H new ATOM 0 HE1 PHE A 30 4.170 -7.401 4.906 1.00 0.46 H new ATOM 0 HE2 PHE A 30 3.302 -3.553 3.301 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.744 -5.939 3.535 1.00 0.46 H new ATOM 432 N LEU A 31 4.622 -3.549 8.399 1.00 0.35 N ATOM 433 CA LEU A 31 3.413 -2.841 8.827 1.00 0.36 C ATOM 434 C LEU A 31 3.762 -1.797 9.881 1.00 0.39 C ATOM 435 O LEU A 31 3.238 -0.692 9.865 1.00 0.46 O ATOM 436 CB LEU A 31 2.372 -3.799 9.389 1.00 0.40 C ATOM 437 CG LEU A 31 1.784 -4.802 8.410 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.807 -5.716 9.131 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.091 -4.082 7.261 1.00 0.38 C ATOM 0 H LEU A 31 4.604 -4.557 8.555 1.00 0.35 H new ATOM 0 HA LEU A 31 2.990 -2.353 7.949 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.824 -4.350 10.214 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.556 -3.210 9.808 1.00 0.40 H new ATOM 0 HG LEU A 31 2.592 -5.406 7.996 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.389 -6.432 8.424 1.00 0.45 H new ATOM 0 HD12 LEU A 31 1.328 -6.251 9.925 1.00 0.45 H new ATOM 0 HD13 LEU A 31 0.002 -5.121 9.562 1.00 0.45 H new ATOM 0 HD21 LEU A 31 0.676 -4.815 6.570 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.288 -3.458 7.654 1.00 0.38 H new ATOM 0 HD23 LEU A 31 1.813 -3.456 6.736 1.00 0.38 H new ATOM 451 N ASP A 32 4.683 -2.158 10.753 1.00 0.43 N ATOM 452 CA ASP A 32 5.174 -1.273 11.816 1.00 0.52 C ATOM 453 C ASP A 32 6.421 -0.523 11.381 1.00 0.50 C ATOM 454 O ASP A 32 7.202 -0.049 12.214 1.00 0.66 O ATOM 455 CB ASP A 32 5.470 -2.075 13.093 1.00 0.69 C ATOM 456 CG ASP A 32 4.235 -2.375 13.912 1.00 1.46 C ATOM 457 OD1 ASP A 32 3.365 -3.137 13.439 1.00 2.20 O ATOM 458 OD2 ASP A 32 4.142 -1.871 15.061 1.00 1.95 O ATOM 0 H ASP A 32 5.121 -3.079 10.752 1.00 0.43 H new ATOM 0 HA ASP A 32 4.390 -0.545 12.023 1.00 0.52 H new ATOM 0 HB2 ASP A 32 5.953 -3.013 12.820 1.00 0.69 H new ATOM 0 HB3 ASP A 32 6.178 -1.518 13.707 1.00 0.69 H new ATOM 463 N LEU A 33 6.606 -0.407 10.087 1.00 0.42 N ATOM 464 CA LEU A 33 7.727 0.309 9.515 1.00 0.50 C ATOM 465 C LEU A 33 7.235 1.593 8.867 1.00 0.45 C ATOM 466 O LEU A 33 6.040 1.757 8.634 1.00 0.57 O ATOM 467 CB LEU A 33 8.481 -0.562 8.486 1.00 0.66 C ATOM 468 CG LEU A 33 9.258 -1.764 9.031 1.00 0.80 C ATOM 469 CD1 LEU A 33 10.023 -2.448 7.917 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.212 -1.337 10.105 1.00 1.18 C ATOM 0 H LEU A 33 5.977 -0.811 9.393 1.00 0.42 H new ATOM 0 HA LEU A 33 8.426 0.554 10.315 1.00 0.50 H new ATOM 0 HB2 LEU A 33 7.758 -0.928 7.757 1.00 0.66 H new ATOM 0 HB3 LEU A 33 9.180 0.078 7.948 1.00 0.66 H new ATOM 0 HG LEU A 33 8.539 -2.465 9.456 1.00 0.80 H new ATOM 0 HD11 LEU A 33 10.570 -3.300 8.321 1.00 1.52 H new ATOM 0 HD12 LEU A 33 9.325 -2.793 7.155 1.00 1.52 H new ATOM 0 HD13 LEU A 33 10.726 -1.743 7.472 1.00 1.52 H new ATOM 0 HD21 LEU A 33 10.753 -2.207 10.478 1.00 1.18 H new ATOM 0 HD22 LEU A 33 10.920 -0.616 9.697 1.00 1.18 H new ATOM 0 HD23 LEU A 33 9.657 -0.877 10.923 1.00 1.18 H new ATOM 482 N ARG A 34 8.146 2.487 8.586 1.00 0.43 N ATOM 483 CA ARG A 34 7.819 3.762 7.974 1.00 0.42 C ATOM 484 C ARG A 34 8.060 3.658 6.492 1.00 0.36 C ATOM 485 O ARG A 34 8.863 2.823 6.064 1.00 0.45 O ATOM 486 CB ARG A 34 8.729 4.848 8.517 1.00 0.58 C ATOM 487 CG ARG A 34 8.693 5.032 10.009 1.00 0.77 C ATOM 488 CD ARG A 34 9.737 6.029 10.433 1.00 1.08 C ATOM 489 NE ARG A 34 9.679 6.339 11.857 1.00 1.82 N ATOM 490 CZ ARG A 34 10.192 7.437 12.406 1.00 2.41 C ATOM 491 NH1 ARG A 34 10.913 8.280 11.677 1.00 2.43 N ATOM 492 NH2 ARG A 34 10.009 7.667 13.708 1.00 3.44 N ATOM 0 H ARG A 34 9.140 2.358 8.773 1.00 0.43 H new ATOM 0 HA ARG A 34 6.779 4.007 8.191 1.00 0.42 H new ATOM 0 HB2 ARG A 34 9.753 4.622 8.220 1.00 0.58 H new ATOM 0 HB3 ARG A 34 8.461 5.793 8.045 1.00 0.58 H new ATOM 0 HG2 ARG A 34 7.705 5.375 10.317 1.00 0.77 H new ATOM 0 HG3 ARG A 34 8.868 4.077 10.505 1.00 0.77 H new ATOM 0 HD2 ARG A 34 10.725 5.638 10.191 1.00 1.08 H new ATOM 0 HD3 ARG A 34 9.609 6.948 9.861 1.00 1.08 H new ATOM 0 HE ARG A 34 9.215 5.671 12.472 1.00 1.82 H new ATOM 0 HH11 ARG A 34 11.077 8.088 10.689 1.00 2.43 H new ATOM 0 HH12 ARG A 34 11.303 9.120 12.105 1.00 2.43 H new ATOM 0 HH21 ARG A 34 9.479 7.004 14.274 1.00 3.44 H new ATOM 0 HH22 ARG A 34 10.399 8.506 14.137 1.00 3.44 H new ATOM 506 N PHE A 35 7.431 4.519 5.719 1.00 0.33 N ATOM 507 CA PHE A 35 7.601 4.501 4.270 1.00 0.33 C ATOM 508 C PHE A 35 8.986 4.997 3.869 1.00 0.38 C ATOM 509 O PHE A 35 9.638 4.418 3.004 1.00 0.43 O ATOM 510 CB PHE A 35 6.507 5.288 3.560 1.00 0.34 C ATOM 511 CG PHE A 35 5.145 4.658 3.653 1.00 0.36 C ATOM 512 CD1 PHE A 35 4.840 3.522 2.912 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.169 5.195 4.470 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.589 2.945 2.993 1.00 0.50 C ATOM 515 CE2 PHE A 35 2.916 4.617 4.552 1.00 0.48 C ATOM 516 CZ PHE A 35 2.627 3.493 3.815 1.00 0.51 C ATOM 0 H PHE A 35 6.798 5.241 6.063 1.00 0.33 H new ATOM 0 HA PHE A 35 7.512 3.463 3.949 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.462 6.291 3.983 1.00 0.34 H new ATOM 0 HB3 PHE A 35 6.775 5.397 2.509 1.00 0.34 H new ATOM 0 HD1 PHE A 35 5.589 3.087 2.267 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.388 6.078 5.052 1.00 0.40 H new ATOM 0 HE1 PHE A 35 3.363 2.063 2.412 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.164 5.049 5.195 1.00 0.48 H new ATOM 0 HZ PHE A 35 1.649 3.040 3.880 1.00 0.51 H new ATOM 526 N GLU A 36 9.455 6.034 4.537 1.00 0.48 N ATOM 527 CA GLU A 36 10.784 6.593 4.264 1.00 0.62 C ATOM 528 C GLU A 36 11.847 5.623 4.756 1.00 0.63 C ATOM 529 O GLU A 36 12.965 5.570 4.243 1.00 0.72 O ATOM 530 CB GLU A 36 11.008 7.945 4.964 1.00 0.83 C ATOM 531 CG GLU A 36 9.832 8.914 4.910 1.00 1.40 C ATOM 532 CD GLU A 36 8.869 8.705 6.068 1.00 1.83 C ATOM 533 OE1 GLU A 36 8.138 7.696 6.043 1.00 2.73 O ATOM 534 OE2 GLU A 36 8.808 9.570 6.970 1.00 1.89 O ATOM 0 H GLU A 36 8.941 6.514 5.276 1.00 0.48 H new ATOM 0 HA GLU A 36 10.852 6.749 3.187 1.00 0.62 H new ATOM 0 HB2 GLU A 36 11.254 7.757 6.009 1.00 0.83 H new ATOM 0 HB3 GLU A 36 11.875 8.428 4.514 1.00 0.83 H new ATOM 0 HG2 GLU A 36 10.205 9.938 4.929 1.00 1.40 H new ATOM 0 HG3 GLU A 36 9.299 8.786 3.968 1.00 1.40 H new ATOM 541 N ASP A 37 11.464 4.837 5.742 1.00 0.61 N ATOM 542 CA ASP A 37 12.346 3.853 6.354 1.00 0.70 C ATOM 543 C ASP A 37 12.541 2.680 5.408 1.00 0.69 C ATOM 544 O ASP A 37 13.628 2.138 5.310 1.00 0.82 O ATOM 545 CB ASP A 37 11.789 3.402 7.717 1.00 0.77 C ATOM 546 CG ASP A 37 12.712 2.479 8.481 1.00 0.98 C ATOM 547 OD1 ASP A 37 13.827 2.909 8.848 1.00 1.27 O ATOM 548 OD2 ASP A 37 12.378 1.278 8.640 1.00 1.36 O ATOM 0 H ASP A 37 10.528 4.860 6.146 1.00 0.61 H new ATOM 0 HA ASP A 37 13.321 4.305 6.537 1.00 0.70 H new ATOM 0 HB2 ASP A 37 11.587 4.283 8.326 1.00 0.77 H new ATOM 0 HB3 ASP A 37 10.835 2.898 7.560 1.00 0.77 H new ATOM 553 N ILE A 38 11.489 2.328 4.669 1.00 0.59 N ATOM 554 CA ILE A 38 11.597 1.274 3.659 1.00 0.63 C ATOM 555 C ILE A 38 11.994 1.821 2.270 1.00 0.63 C ATOM 556 O ILE A 38 12.008 1.081 1.286 1.00 0.66 O ATOM 557 CB ILE A 38 10.342 0.355 3.557 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.045 1.178 3.364 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.250 -0.553 4.771 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.776 0.341 3.237 1.00 0.54 C ATOM 0 H ILE A 38 10.564 2.750 4.748 1.00 0.59 H new ATOM 0 HA ILE A 38 12.409 0.641 4.018 1.00 0.63 H new ATOM 0 HB ILE A 38 10.454 -0.271 2.672 1.00 0.59 H new ATOM 0 HG12 ILE A 38 8.933 1.859 4.208 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.150 1.793 2.470 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.368 -1.188 4.684 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.142 -1.176 4.828 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.173 0.053 5.674 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.917 1.000 3.105 1.00 0.54 H new ATOM 0 HD12 ILE A 38 7.861 -0.321 2.375 1.00 0.54 H new ATOM 0 HD13 ILE A 38 7.641 -0.254 4.140 1.00 0.54 H new ATOM 572 N GLY A 39 12.386 3.099 2.229 1.00 0.63 N ATOM 573 CA GLY A 39 12.873 3.723 1.007 1.00 0.68 C ATOM 574 C GLY A 39 11.796 4.003 -0.034 1.00 0.59 C ATOM 575 O GLY A 39 12.005 3.776 -1.231 1.00 0.70 O ATOM 0 H GLY A 39 12.373 3.720 3.038 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.364 4.662 1.264 1.00 0.68 H new ATOM 0 HA3 GLY A 39 13.631 3.078 0.562 1.00 0.68 H new ATOM 579 N TYR A 40 10.654 4.480 0.396 1.00 0.45 N ATOM 580 CA TYR A 40 9.589 4.804 -0.526 1.00 0.45 C ATOM 581 C TYR A 40 9.242 6.268 -0.514 1.00 0.47 C ATOM 582 O TYR A 40 8.743 6.787 0.485 1.00 0.62 O ATOM 583 CB TYR A 40 8.323 3.981 -0.257 1.00 0.42 C ATOM 584 CG TYR A 40 8.381 2.549 -0.751 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.204 1.621 -0.131 1.00 0.53 C ATOM 586 CD2 TYR A 40 7.640 2.136 -1.840 1.00 0.57 C ATOM 587 CE1 TYR A 40 9.276 0.321 -0.585 1.00 0.60 C ATOM 588 CE2 TYR A 40 7.710 0.844 -2.304 1.00 0.68 C ATOM 589 CZ TYR A 40 8.454 -0.076 -1.635 1.00 0.67 C ATOM 590 OH TYR A 40 8.609 -1.346 -2.159 1.00 0.78 O ATOM 0 H TYR A 40 10.436 4.653 1.377 1.00 0.45 H new ATOM 0 HA TYR A 40 9.973 4.549 -1.514 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.132 3.973 0.816 1.00 0.42 H new ATOM 0 HB3 TYR A 40 7.475 4.479 -0.728 1.00 0.42 H new ATOM 0 HD1 TYR A 40 9.797 1.921 0.720 1.00 0.53 H new ATOM 0 HD2 TYR A 40 6.992 2.842 -2.338 1.00 0.57 H new ATOM 0 HE1 TYR A 40 9.961 -0.380 -0.132 1.00 0.60 H new ATOM 0 HE2 TYR A 40 7.175 0.560 -3.198 1.00 0.68 H new ATOM 0 HH TYR A 40 7.934 -1.498 -2.853 1.00 0.78 H new ATOM 600 N ASP A 41 9.519 6.935 -1.618 1.00 0.55 N ATOM 601 CA ASP A 41 9.059 8.302 -1.813 1.00 0.69 C ATOM 602 C ASP A 41 7.720 8.196 -2.469 1.00 0.85 C ATOM 603 O ASP A 41 7.306 7.080 -2.872 1.00 1.62 O ATOM 604 CB ASP A 41 9.969 9.141 -2.735 1.00 0.82 C ATOM 605 CG ASP A 41 11.350 9.388 -2.194 1.00 0.99 C ATOM 606 OD1 ASP A 41 11.544 10.379 -1.476 1.00 1.27 O ATOM 607 OD2 ASP A 41 12.246 8.546 -2.426 1.00 1.32 O ATOM 0 H ASP A 41 10.060 6.555 -2.395 1.00 0.55 H new ATOM 0 HA ASP A 41 9.048 8.803 -0.845 1.00 0.69 H new ATOM 0 HB2 ASP A 41 10.055 8.635 -3.697 1.00 0.82 H new ATOM 0 HB3 ASP A 41 9.489 10.102 -2.921 1.00 0.82 H new ATOM 612 N SER A 42 7.086 9.323 -2.667 1.00 0.50 N ATOM 613 CA SER A 42 5.763 9.426 -3.238 1.00 0.53 C ATOM 614 C SER A 42 5.667 8.687 -4.572 1.00 0.51 C ATOM 615 O SER A 42 4.683 8.012 -4.844 1.00 0.48 O ATOM 616 CB SER A 42 5.470 10.894 -3.427 1.00 0.69 C ATOM 617 OG SER A 42 6.552 11.507 -4.226 1.00 1.05 O ATOM 0 H SER A 42 7.490 10.229 -2.427 1.00 0.50 H new ATOM 0 HA SER A 42 5.035 8.964 -2.571 1.00 0.53 H new ATOM 0 HB2 SER A 42 4.512 11.024 -3.930 1.00 0.69 H new ATOM 0 HB3 SER A 42 5.391 11.389 -2.459 1.00 0.69 H new ATOM 0 HG SER A 42 6.365 12.461 -4.353 1.00 1.05 H new ATOM 622 N LEU A 43 6.738 8.808 -5.353 1.00 0.57 N ATOM 623 CA LEU A 43 6.871 8.235 -6.685 1.00 0.62 C ATOM 624 C LEU A 43 6.526 6.746 -6.708 1.00 0.56 C ATOM 625 O LEU A 43 5.589 6.338 -7.379 1.00 0.58 O ATOM 626 CB LEU A 43 8.303 8.470 -7.197 1.00 0.74 C ATOM 627 CG LEU A 43 8.627 7.970 -8.611 1.00 0.86 C ATOM 628 CD1 LEU A 43 7.798 8.707 -9.649 1.00 1.40 C ATOM 629 CD2 LEU A 43 10.116 8.132 -8.902 1.00 1.19 C ATOM 0 H LEU A 43 7.566 9.328 -5.062 1.00 0.57 H new ATOM 0 HA LEU A 43 6.158 8.732 -7.343 1.00 0.62 H new ATOM 0 HB2 LEU A 43 8.504 9.541 -7.162 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.994 7.993 -6.502 1.00 0.74 H new ATOM 0 HG LEU A 43 8.374 6.911 -8.666 1.00 0.86 H new ATOM 0 HD11 LEU A 43 8.046 8.335 -10.643 1.00 1.40 H new ATOM 0 HD12 LEU A 43 6.739 8.541 -9.453 1.00 1.40 H new ATOM 0 HD13 LEU A 43 8.014 9.774 -9.597 1.00 1.40 H new ATOM 0 HD21 LEU A 43 10.331 7.773 -9.909 1.00 1.19 H new ATOM 0 HD22 LEU A 43 10.389 9.184 -8.826 1.00 1.19 H new ATOM 0 HD23 LEU A 43 10.693 7.554 -8.180 1.00 1.19 H new ATOM 641 N ALA A 44 7.244 5.967 -5.926 1.00 0.54 N ATOM 642 CA ALA A 44 7.056 4.526 -5.903 1.00 0.54 C ATOM 643 C ALA A 44 5.851 4.157 -5.054 1.00 0.47 C ATOM 644 O ALA A 44 5.204 3.117 -5.257 1.00 0.53 O ATOM 645 CB ALA A 44 8.314 3.843 -5.393 1.00 0.59 C ATOM 0 H ALA A 44 7.968 6.307 -5.293 1.00 0.54 H new ATOM 0 HA ALA A 44 6.866 4.180 -6.919 1.00 0.54 H new ATOM 0 HB1 ALA A 44 8.162 2.764 -5.380 1.00 0.59 H new ATOM 0 HB2 ALA A 44 9.150 4.084 -6.049 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.533 4.191 -4.384 1.00 0.59 H new ATOM 651 N LEU A 45 5.528 5.025 -4.130 1.00 0.42 N ATOM 652 CA LEU A 45 4.454 4.781 -3.217 1.00 0.38 C ATOM 653 C LEU A 45 3.091 4.897 -3.928 1.00 0.37 C ATOM 654 O LEU A 45 2.245 4.013 -3.770 1.00 0.39 O ATOM 655 CB LEU A 45 4.599 5.707 -1.986 1.00 0.35 C ATOM 656 CG LEU A 45 3.838 5.321 -0.706 1.00 0.37 C ATOM 657 CD1 LEU A 45 4.400 6.073 0.476 1.00 0.38 C ATOM 658 CD2 LEU A 45 2.363 5.614 -0.834 1.00 0.53 C ATOM 0 H LEU A 45 6.004 5.917 -3.994 1.00 0.42 H new ATOM 0 HA LEU A 45 4.502 3.756 -2.848 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.659 5.773 -1.739 1.00 0.35 H new ATOM 0 HB3 LEU A 45 4.277 6.706 -2.279 1.00 0.35 H new ATOM 0 HG LEU A 45 3.963 4.249 -0.554 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.855 5.793 1.378 1.00 0.38 H new ATOM 0 HD12 LEU A 45 5.454 5.825 0.597 1.00 0.38 H new ATOM 0 HD13 LEU A 45 4.297 7.145 0.308 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.854 5.330 0.087 1.00 0.53 H new ATOM 0 HD22 LEU A 45 2.218 6.679 -1.015 1.00 0.53 H new ATOM 0 HD23 LEU A 45 1.950 5.045 -1.667 1.00 0.53 H new ATOM 670 N MET A 46 2.881 5.946 -4.748 1.00 0.37 N ATOM 671 CA MET A 46 1.595 6.070 -5.441 1.00 0.40 C ATOM 672 C MET A 46 1.419 4.974 -6.492 1.00 0.35 C ATOM 673 O MET A 46 0.303 4.523 -6.736 1.00 0.36 O ATOM 674 CB MET A 46 1.365 7.463 -6.013 1.00 0.52 C ATOM 675 CG MET A 46 1.260 8.543 -4.947 1.00 0.70 C ATOM 676 SD MET A 46 0.838 10.156 -5.615 1.00 0.96 S ATOM 677 CE MET A 46 0.871 11.153 -4.127 1.00 2.41 C ATOM 0 H MET A 46 3.556 6.687 -4.938 1.00 0.37 H new ATOM 0 HA MET A 46 0.818 5.926 -4.690 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.183 7.709 -6.690 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.451 7.458 -6.606 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.506 8.251 -4.216 1.00 0.70 H new ATOM 0 HG3 MET A 46 2.209 8.614 -4.416 1.00 0.70 H new ATOM 0 HE1 MET A 46 0.628 12.186 -4.376 1.00 2.41 H new ATOM 0 HE2 MET A 46 0.139 10.770 -3.416 1.00 2.41 H new ATOM 0 HE3 MET A 46 1.865 11.111 -3.683 1.00 2.41 H new ATOM 687 N GLU A 47 2.540 4.508 -7.061 1.00 0.37 N ATOM 688 CA GLU A 47 2.532 3.367 -7.987 1.00 0.39 C ATOM 689 C GLU A 47 1.908 2.155 -7.315 1.00 0.37 C ATOM 690 O GLU A 47 1.007 1.523 -7.858 1.00 0.43 O ATOM 691 CB GLU A 47 3.949 3.008 -8.424 1.00 0.48 C ATOM 692 CG GLU A 47 4.563 3.940 -9.437 1.00 0.68 C ATOM 693 CD GLU A 47 3.907 3.844 -10.800 1.00 1.41 C ATOM 694 OE1 GLU A 47 3.370 2.772 -11.143 1.00 2.15 O ATOM 695 OE2 GLU A 47 3.830 4.874 -11.522 1.00 1.84 O ATOM 0 H GLU A 47 3.465 4.905 -6.896 1.00 0.37 H new ATOM 0 HA GLU A 47 1.949 3.653 -8.862 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.589 2.983 -7.542 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.940 2.000 -8.840 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.486 4.965 -9.074 1.00 0.68 H new ATOM 0 HG3 GLU A 47 5.625 3.715 -9.534 1.00 0.68 H new ATOM 702 N THR A 48 2.371 1.880 -6.110 1.00 0.36 N ATOM 703 CA THR A 48 1.912 0.750 -5.327 1.00 0.39 C ATOM 704 C THR A 48 0.383 0.832 -5.074 1.00 0.35 C ATOM 705 O THR A 48 -0.352 -0.140 -5.300 1.00 0.40 O ATOM 706 CB THR A 48 2.668 0.724 -3.987 1.00 0.43 C ATOM 707 OG1 THR A 48 4.091 0.688 -4.237 1.00 0.51 O ATOM 708 CG2 THR A 48 2.260 -0.500 -3.166 1.00 0.51 C ATOM 0 H THR A 48 3.084 2.441 -5.643 1.00 0.36 H new ATOM 0 HA THR A 48 2.111 -0.167 -5.882 1.00 0.39 H new ATOM 0 HB THR A 48 2.416 1.622 -3.424 1.00 0.43 H new ATOM 0 HG1 THR A 48 4.401 1.582 -4.492 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.804 -0.503 -2.222 1.00 0.51 H new ATOM 0 HG22 THR A 48 1.189 -0.464 -2.967 1.00 0.51 H new ATOM 0 HG23 THR A 48 2.496 -1.407 -3.723 1.00 0.51 H new ATOM 716 N ALA A 49 -0.062 2.001 -4.610 1.00 0.31 N ATOM 717 CA ALA A 49 -1.475 2.276 -4.334 1.00 0.32 C ATOM 718 C ALA A 49 -2.340 1.943 -5.548 1.00 0.30 C ATOM 719 O ALA A 49 -3.298 1.153 -5.456 1.00 0.32 O ATOM 720 CB ALA A 49 -1.627 3.738 -3.987 1.00 0.38 C ATOM 0 H ALA A 49 0.553 2.791 -4.413 1.00 0.31 H new ATOM 0 HA ALA A 49 -1.803 1.654 -3.501 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -2.675 3.956 -3.779 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -1.027 3.967 -3.106 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.289 4.348 -4.825 1.00 0.38 H new ATOM 726 N ALA A 50 -1.938 2.476 -6.697 1.00 0.29 N ATOM 727 CA ALA A 50 -2.658 2.283 -7.953 1.00 0.31 C ATOM 728 C ALA A 50 -2.775 0.810 -8.340 1.00 0.31 C ATOM 729 O ALA A 50 -3.792 0.390 -8.891 1.00 0.35 O ATOM 730 CB ALA A 50 -2.021 3.089 -9.069 1.00 0.39 C ATOM 0 H ALA A 50 -1.103 3.055 -6.785 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.673 2.648 -7.796 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.574 2.929 -9.995 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -2.043 4.148 -8.811 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -0.988 2.770 -9.204 1.00 0.39 H new ATOM 736 N ARG A 51 -1.762 0.012 -7.992 1.00 0.32 N ATOM 737 CA ARG A 51 -1.760 -1.418 -8.325 1.00 0.38 C ATOM 738 C ARG A 51 -2.870 -2.143 -7.573 1.00 0.37 C ATOM 739 O ARG A 51 -3.465 -3.085 -8.082 1.00 0.47 O ATOM 740 CB ARG A 51 -0.386 -2.077 -8.030 1.00 0.49 C ATOM 741 CG ARG A 51 0.781 -1.410 -8.726 1.00 0.97 C ATOM 742 CD ARG A 51 0.652 -1.453 -10.229 1.00 0.98 C ATOM 743 NE ARG A 51 1.570 -0.492 -10.862 1.00 1.92 N ATOM 744 CZ ARG A 51 1.631 -0.228 -12.182 1.00 2.31 C ATOM 745 NH1 ARG A 51 0.948 -0.964 -13.056 1.00 2.05 N ATOM 746 NH2 ARG A 51 2.365 0.786 -12.611 1.00 3.40 N ATOM 0 H ARG A 51 -0.937 0.328 -7.483 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.943 -1.505 -9.396 1.00 0.38 H new ATOM 0 HB2 ARG A 51 -0.211 -2.061 -6.954 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.425 -3.124 -8.331 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.851 -0.373 -8.399 1.00 0.97 H new ATOM 0 HG3 ARG A 51 1.707 -1.901 -8.429 1.00 0.97 H new ATOM 0 HD2 ARG A 51 0.868 -2.459 -10.588 1.00 0.98 H new ATOM 0 HD3 ARG A 51 -0.374 -1.225 -10.517 1.00 0.98 H new ATOM 0 HE ARG A 51 2.212 0.015 -10.252 1.00 1.92 H new ATOM 0 HH11 ARG A 51 0.370 -1.738 -12.729 1.00 2.05 H new ATOM 0 HH12 ARG A 51 1.003 -0.754 -14.053 1.00 2.05 H new ATOM 0 HH21 ARG A 51 2.879 1.361 -11.944 1.00 3.40 H new ATOM 0 HH22 ARG A 51 2.416 0.992 -13.609 1.00 3.40 H new ATOM 760 N LEU A 52 -3.166 -1.673 -6.385 1.00 0.32 N ATOM 761 CA LEU A 52 -4.192 -2.269 -5.573 1.00 0.34 C ATOM 762 C LEU A 52 -5.559 -1.768 -6.005 1.00 0.33 C ATOM 763 O LEU A 52 -6.489 -2.562 -6.193 1.00 0.40 O ATOM 764 CB LEU A 52 -3.938 -1.979 -4.090 1.00 0.35 C ATOM 765 CG LEU A 52 -2.628 -2.532 -3.520 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.462 -2.116 -2.075 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.579 -4.053 -3.644 1.00 0.39 C ATOM 0 H LEU A 52 -2.703 -0.870 -5.958 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.168 -3.350 -5.710 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -3.950 -0.899 -3.943 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.766 -2.389 -3.512 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.804 -2.116 -4.100 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -1.526 -2.517 -1.686 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.445 -1.028 -2.009 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.295 -2.502 -1.487 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -1.639 -4.422 -3.232 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.412 -4.490 -3.094 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -2.650 -4.335 -4.695 1.00 0.39 H new ATOM 779 N GLU A 53 -5.672 -0.461 -6.213 1.00 0.28 N ATOM 780 CA GLU A 53 -6.943 0.144 -6.601 1.00 0.29 C ATOM 781 C GLU A 53 -7.428 -0.353 -7.952 1.00 0.31 C ATOM 782 O GLU A 53 -8.583 -0.705 -8.094 1.00 0.35 O ATOM 783 CB GLU A 53 -6.859 1.656 -6.655 1.00 0.29 C ATOM 784 CG GLU A 53 -6.528 2.347 -5.356 1.00 0.35 C ATOM 785 CD GLU A 53 -6.671 3.840 -5.498 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.668 4.503 -5.866 1.00 0.53 O ATOM 787 OE2 GLU A 53 -7.741 4.377 -5.177 1.00 0.51 O ATOM 0 H GLU A 53 -4.901 0.200 -6.120 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.653 -0.156 -5.830 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -6.105 1.932 -7.393 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.813 2.040 -7.015 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -7.188 1.986 -4.567 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.509 2.101 -5.056 1.00 0.35 H new ATOM 794 N SER A 54 -6.529 -0.405 -8.927 1.00 0.35 N ATOM 795 CA SER A 54 -6.859 -0.803 -10.293 1.00 0.43 C ATOM 796 C SER A 54 -7.325 -2.268 -10.347 1.00 0.47 C ATOM 797 O SER A 54 -8.175 -2.642 -11.158 1.00 0.61 O ATOM 798 CB SER A 54 -5.619 -0.620 -11.170 1.00 0.49 C ATOM 799 OG SER A 54 -5.895 -0.846 -12.544 1.00 1.16 O ATOM 0 H SER A 54 -5.545 -0.171 -8.793 1.00 0.35 H new ATOM 0 HA SER A 54 -7.676 -0.179 -10.657 1.00 0.43 H new ATOM 0 HB2 SER A 54 -5.231 0.390 -11.041 1.00 0.49 H new ATOM 0 HB3 SER A 54 -4.839 -1.306 -10.840 1.00 0.49 H new ATOM 0 HG SER A 54 -5.077 -0.717 -13.068 1.00 1.16 H new ATOM 805 N ARG A 55 -6.780 -3.057 -9.469 1.00 0.40 N ATOM 806 CA ARG A 55 -7.031 -4.473 -9.429 1.00 0.46 C ATOM 807 C ARG A 55 -8.308 -4.814 -8.649 1.00 0.47 C ATOM 808 O ARG A 55 -9.100 -5.654 -9.086 1.00 0.57 O ATOM 809 CB ARG A 55 -5.799 -5.155 -8.857 1.00 0.50 C ATOM 810 CG ARG A 55 -5.891 -6.640 -8.655 1.00 0.61 C ATOM 811 CD ARG A 55 -4.559 -7.157 -8.155 1.00 0.75 C ATOM 812 NE ARG A 55 -4.656 -8.506 -7.627 1.00 1.28 N ATOM 813 CZ ARG A 55 -4.284 -8.814 -6.383 1.00 1.65 C ATOM 814 NH1 ARG A 55 -3.687 -7.891 -5.632 1.00 1.46 N ATOM 815 NH2 ARG A 55 -4.490 -10.023 -5.885 1.00 2.65 N ATOM 0 H ARG A 55 -6.137 -2.732 -8.747 1.00 0.40 H new ATOM 0 HA ARG A 55 -7.211 -4.842 -10.439 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -4.958 -4.952 -9.519 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.568 -4.693 -7.897 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -6.678 -6.874 -7.938 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.157 -7.131 -9.591 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -3.835 -7.139 -8.970 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -4.181 -6.491 -7.379 1.00 0.75 H new ATOM 0 HE ARG A 55 -5.021 -9.244 -8.228 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -3.518 -6.958 -6.009 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -3.399 -8.116 -4.680 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -4.941 -10.739 -6.455 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -4.198 -10.238 -4.932 1.00 2.65 H new ATOM 829 N TYR A 56 -8.510 -4.174 -7.509 1.00 0.42 N ATOM 830 CA TYR A 56 -9.695 -4.453 -6.698 1.00 0.47 C ATOM 831 C TYR A 56 -10.886 -3.564 -7.056 1.00 0.50 C ATOM 832 O TYR A 56 -12.033 -3.925 -6.823 1.00 0.67 O ATOM 833 CB TYR A 56 -9.372 -4.417 -5.193 1.00 0.52 C ATOM 834 CG TYR A 56 -8.566 -5.618 -4.721 1.00 0.53 C ATOM 835 CD1 TYR A 56 -7.178 -5.647 -4.806 1.00 0.59 C ATOM 836 CD2 TYR A 56 -9.210 -6.746 -4.205 1.00 0.62 C ATOM 837 CE1 TYR A 56 -6.459 -6.757 -4.394 1.00 0.65 C ATOM 838 CE2 TYR A 56 -8.492 -7.858 -3.792 1.00 0.70 C ATOM 839 CZ TYR A 56 -7.119 -7.856 -3.888 1.00 0.67 C ATOM 840 OH TYR A 56 -6.410 -8.969 -3.502 1.00 0.79 O ATOM 0 H TYR A 56 -7.883 -3.468 -7.124 1.00 0.42 H new ATOM 0 HA TYR A 56 -10.003 -5.470 -6.939 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -8.818 -3.506 -4.969 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.304 -4.370 -4.630 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -6.652 -4.790 -5.200 1.00 0.59 H new ATOM 0 HD2 TYR A 56 -10.287 -6.752 -4.126 1.00 0.62 H new ATOM 0 HE1 TYR A 56 -5.382 -6.761 -4.469 1.00 0.65 H new ATOM 0 HE2 TYR A 56 -9.007 -8.721 -3.397 1.00 0.70 H new ATOM 0 HH TYR A 56 -5.480 -8.883 -3.797 1.00 0.79 H new ATOM 850 N GLY A 57 -10.611 -2.421 -7.639 1.00 0.41 N ATOM 851 CA GLY A 57 -11.669 -1.528 -8.059 1.00 0.45 C ATOM 852 C GLY A 57 -12.124 -0.601 -6.948 1.00 0.46 C ATOM 853 O GLY A 57 -13.329 -0.356 -6.784 1.00 0.61 O ATOM 0 H GLY A 57 -9.667 -2.087 -7.834 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.324 -0.934 -8.905 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.518 -2.115 -8.408 1.00 0.45 H new ATOM 857 N VAL A 58 -11.178 -0.062 -6.196 1.00 0.38 N ATOM 858 CA VAL A 58 -11.525 0.837 -5.106 1.00 0.42 C ATOM 859 C VAL A 58 -11.308 2.303 -5.540 1.00 0.45 C ATOM 860 O VAL A 58 -11.024 2.552 -6.719 1.00 0.51 O ATOM 861 CB VAL A 58 -10.807 0.487 -3.741 1.00 0.42 C ATOM 862 CG1 VAL A 58 -10.814 -1.003 -3.496 1.00 0.59 C ATOM 863 CG2 VAL A 58 -9.392 1.021 -3.615 1.00 0.57 C ATOM 0 H VAL A 58 -10.179 -0.227 -6.316 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.585 0.697 -4.893 1.00 0.42 H new ATOM 0 HB VAL A 58 -11.393 0.998 -2.977 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -10.315 -1.219 -2.551 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -11.843 -1.360 -3.452 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -10.289 -1.508 -4.307 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -8.979 0.733 -2.648 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.774 0.606 -4.412 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -9.405 2.108 -3.695 1.00 0.57 H new ATOM 873 N SER A 59 -11.475 3.251 -4.633 1.00 0.51 N ATOM 874 CA SER A 59 -11.273 4.647 -4.953 1.00 0.61 C ATOM 875 C SER A 59 -10.798 5.387 -3.695 1.00 0.56 C ATOM 876 O SER A 59 -11.594 5.702 -2.815 1.00 0.63 O ATOM 877 CB SER A 59 -12.590 5.250 -5.495 1.00 0.84 C ATOM 878 OG SER A 59 -12.427 6.557 -6.021 1.00 1.59 O ATOM 0 H SER A 59 -11.751 3.074 -3.667 1.00 0.51 H new ATOM 0 HA SER A 59 -10.511 4.751 -5.725 1.00 0.61 H new ATOM 0 HB2 SER A 59 -12.988 4.599 -6.273 1.00 0.84 H new ATOM 0 HB3 SER A 59 -13.328 5.277 -4.693 1.00 0.84 H new ATOM 0 HG SER A 59 -13.289 6.887 -6.350 1.00 1.59 H new ATOM 884 N ILE A 60 -9.513 5.574 -3.577 1.00 0.50 N ATOM 885 CA ILE A 60 -8.939 6.277 -2.453 1.00 0.48 C ATOM 886 C ILE A 60 -8.830 7.773 -2.801 1.00 0.53 C ATOM 887 O ILE A 60 -8.371 8.130 -3.889 1.00 0.63 O ATOM 888 CB ILE A 60 -7.551 5.670 -2.085 1.00 0.48 C ATOM 889 CG1 ILE A 60 -7.723 4.177 -1.746 1.00 0.64 C ATOM 890 CG2 ILE A 60 -6.898 6.417 -0.920 1.00 0.53 C ATOM 891 CD1 ILE A 60 -6.439 3.450 -1.443 1.00 0.75 C ATOM 0 H ILE A 60 -8.828 5.244 -4.257 1.00 0.50 H new ATOM 0 HA ILE A 60 -9.581 6.168 -1.579 1.00 0.48 H new ATOM 0 HB ILE A 60 -6.888 5.776 -2.944 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -8.387 4.087 -0.886 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -8.216 3.683 -2.583 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -5.933 5.965 -0.693 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -6.754 7.462 -1.193 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -7.542 6.357 -0.043 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -6.657 2.406 -1.216 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -5.778 3.503 -2.308 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -5.952 3.914 -0.585 1.00 0.75 H new ATOM 903 N PRO A 61 -9.319 8.668 -1.912 1.00 0.65 N ATOM 904 CA PRO A 61 -9.299 10.113 -2.146 1.00 0.77 C ATOM 905 C PRO A 61 -7.911 10.728 -1.957 1.00 0.65 C ATOM 906 O PRO A 61 -7.120 10.257 -1.124 1.00 0.57 O ATOM 907 CB PRO A 61 -10.266 10.676 -1.090 1.00 0.97 C ATOM 908 CG PRO A 61 -10.900 9.488 -0.441 1.00 1.08 C ATOM 909 CD PRO A 61 -9.942 8.349 -0.628 1.00 0.83 C ATOM 0 HA PRO A 61 -9.580 10.345 -3.173 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -9.734 11.284 -0.358 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -11.018 11.317 -1.551 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -11.082 9.674 0.617 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.865 9.264 -0.896 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -9.209 8.299 0.177 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -10.455 7.387 -0.653 1.00 0.83 H new ATOM 917 N ASP A 62 -7.654 11.810 -2.702 1.00 0.74 N ATOM 918 CA ASP A 62 -6.370 12.565 -2.686 1.00 0.73 C ATOM 919 C ASP A 62 -5.928 12.908 -1.275 1.00 0.62 C ATOM 920 O ASP A 62 -4.763 12.736 -0.915 1.00 0.64 O ATOM 921 CB ASP A 62 -6.497 13.897 -3.462 1.00 0.93 C ATOM 922 CG ASP A 62 -6.758 13.747 -4.944 1.00 1.44 C ATOM 923 OD1 ASP A 62 -7.883 13.339 -5.320 1.00 1.92 O ATOM 924 OD2 ASP A 62 -5.839 14.001 -5.747 1.00 2.07 O ATOM 0 H ASP A 62 -8.338 12.202 -3.349 1.00 0.74 H new ATOM 0 HA ASP A 62 -5.635 11.912 -3.156 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -7.306 14.481 -3.023 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -5.579 14.469 -3.325 1.00 0.93 H new ATOM 929 N ASP A 63 -6.873 13.367 -0.471 1.00 0.63 N ATOM 930 CA ASP A 63 -6.591 13.849 0.890 1.00 0.61 C ATOM 931 C ASP A 63 -6.064 12.732 1.764 1.00 0.59 C ATOM 932 O ASP A 63 -5.219 12.932 2.619 1.00 0.64 O ATOM 933 CB ASP A 63 -7.860 14.404 1.548 1.00 0.77 C ATOM 934 CG ASP A 63 -8.602 15.419 0.712 1.00 1.36 C ATOM 935 OD1 ASP A 63 -8.088 16.552 0.570 1.00 2.00 O ATOM 936 OD2 ASP A 63 -9.701 15.114 0.183 1.00 2.10 O ATOM 0 H ASP A 63 -7.857 13.420 -0.733 1.00 0.63 H new ATOM 0 HA ASP A 63 -5.842 14.635 0.799 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -8.531 13.575 1.772 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -7.591 14.862 2.500 1.00 0.77 H new ATOM 941 N VAL A 64 -6.541 11.542 1.519 1.00 0.62 N ATOM 942 CA VAL A 64 -6.199 10.413 2.349 1.00 0.69 C ATOM 943 C VAL A 64 -4.867 9.784 1.919 1.00 0.67 C ATOM 944 O VAL A 64 -4.228 9.052 2.681 1.00 0.78 O ATOM 945 CB VAL A 64 -7.344 9.364 2.423 1.00 0.82 C ATOM 946 CG1 VAL A 64 -7.052 8.297 3.462 1.00 0.98 C ATOM 947 CG2 VAL A 64 -8.675 10.044 2.725 1.00 0.90 C ATOM 0 H VAL A 64 -7.172 11.326 0.747 1.00 0.62 H new ATOM 0 HA VAL A 64 -6.067 10.792 3.362 1.00 0.69 H new ATOM 0 HB VAL A 64 -7.409 8.877 1.450 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -7.872 7.580 3.488 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -6.127 7.781 3.204 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -6.946 8.763 4.442 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -9.464 9.294 2.773 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -8.610 10.563 3.681 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -8.904 10.762 1.937 1.00 0.90 H new ATOM 957 N ALA A 65 -4.420 10.145 0.730 1.00 0.61 N ATOM 958 CA ALA A 65 -3.170 9.654 0.173 1.00 0.67 C ATOM 959 C ALA A 65 -1.988 10.025 1.059 1.00 0.64 C ATOM 960 O ALA A 65 -0.984 9.343 1.086 1.00 0.74 O ATOM 961 CB ALA A 65 -2.970 10.211 -1.224 1.00 0.77 C ATOM 0 H ALA A 65 -4.917 10.792 0.118 1.00 0.61 H new ATOM 0 HA ALA A 65 -3.225 8.567 0.123 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -2.031 9.838 -1.633 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -3.795 9.896 -1.863 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -2.940 11.300 -1.181 1.00 0.77 H new ATOM 967 N GLY A 66 -2.132 11.110 1.793 1.00 0.58 N ATOM 968 CA GLY A 66 -1.086 11.546 2.669 1.00 0.66 C ATOM 969 C GLY A 66 -1.485 11.426 4.115 1.00 0.68 C ATOM 970 O GLY A 66 -1.111 12.259 4.928 1.00 0.86 O ATOM 0 H GLY A 66 -2.965 11.699 1.794 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -0.189 10.953 2.488 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -0.833 12.583 2.446 1.00 0.66 H new ATOM 974 N ARG A 67 -2.288 10.415 4.427 1.00 0.64 N ATOM 975 CA ARG A 67 -2.735 10.177 5.798 1.00 0.79 C ATOM 976 C ARG A 67 -2.230 8.849 6.322 1.00 0.77 C ATOM 977 O ARG A 67 -2.590 8.428 7.407 1.00 0.95 O ATOM 978 CB ARG A 67 -4.264 10.230 5.887 1.00 0.94 C ATOM 979 CG ARG A 67 -4.863 11.615 5.680 1.00 1.12 C ATOM 980 CD ARG A 67 -4.382 12.598 6.736 1.00 1.40 C ATOM 981 NE ARG A 67 -5.069 13.890 6.644 1.00 1.89 N ATOM 982 CZ ARG A 67 -4.863 14.941 7.472 1.00 2.51 C ATOM 983 NH1 ARG A 67 -3.909 14.908 8.403 1.00 2.93 N ATOM 984 NH2 ARG A 67 -5.631 16.017 7.368 1.00 3.22 N ATOM 0 H ARG A 67 -2.645 9.744 3.747 1.00 0.64 H new ATOM 0 HA ARG A 67 -2.317 10.969 6.420 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -4.682 9.553 5.142 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -4.571 9.858 6.864 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -4.594 11.984 4.690 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -5.951 11.550 5.712 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -4.543 12.172 7.726 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -3.308 12.751 6.626 1.00 1.40 H new ATOM 0 HE ARG A 67 -5.755 14.006 5.898 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -3.320 14.081 8.500 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -3.769 15.710 9.018 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -6.372 16.049 6.667 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -5.481 16.812 7.989 1.00 3.22 H new ATOM 998 N VAL A 68 -1.389 8.206 5.551 1.00 0.62 N ATOM 999 CA VAL A 68 -0.839 6.915 5.892 1.00 0.66 C ATOM 1000 C VAL A 68 0.637 7.042 6.322 1.00 0.67 C ATOM 1001 O VAL A 68 1.514 7.332 5.502 1.00 1.00 O ATOM 1002 CB VAL A 68 -1.001 5.911 4.689 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.461 5.509 4.542 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.505 6.510 3.353 1.00 0.64 C ATOM 0 H VAL A 68 -1.062 8.569 4.656 1.00 0.62 H new ATOM 0 HA VAL A 68 -1.396 6.516 6.740 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.387 5.039 4.915 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.565 4.815 3.708 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -2.800 5.028 5.459 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -3.065 6.396 4.353 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.638 5.779 2.555 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -1.078 7.408 3.122 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.551 6.766 3.439 1.00 0.64 H new ATOM 1014 N ASP A 69 0.880 6.913 7.616 1.00 0.54 N ATOM 1015 CA ASP A 69 2.250 6.971 8.160 1.00 0.64 C ATOM 1016 C ASP A 69 2.918 5.603 8.065 1.00 0.50 C ATOM 1017 O ASP A 69 4.116 5.488 7.761 1.00 0.54 O ATOM 1018 CB ASP A 69 2.266 7.468 9.626 1.00 0.99 C ATOM 1019 CG ASP A 69 2.251 8.989 9.790 1.00 1.11 C ATOM 1020 OD1 ASP A 69 1.169 9.608 9.581 1.00 1.84 O ATOM 1021 OD2 ASP A 69 3.314 9.607 10.087 1.00 1.37 O ATOM 0 H ASP A 69 0.155 6.767 8.318 1.00 0.54 H new ATOM 0 HA ASP A 69 2.810 7.688 7.559 1.00 0.64 H new ATOM 0 HB2 ASP A 69 1.402 7.053 10.145 1.00 0.99 H new ATOM 0 HB3 ASP A 69 3.154 7.073 10.119 1.00 0.99 H new ATOM 1026 N THR A 70 2.146 4.568 8.310 1.00 0.43 N ATOM 1027 CA THR A 70 2.642 3.201 8.222 1.00 0.37 C ATOM 1028 C THR A 70 1.765 2.362 7.260 1.00 0.33 C ATOM 1029 O THR A 70 0.581 2.679 7.055 1.00 0.34 O ATOM 1030 CB THR A 70 2.651 2.520 9.619 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.339 2.575 10.200 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.651 3.174 10.555 1.00 0.44 C ATOM 0 H THR A 70 1.164 4.642 8.574 1.00 0.43 H new ATOM 0 HA THR A 70 3.662 3.248 7.839 1.00 0.37 H new ATOM 0 HB THR A 70 2.949 1.481 9.479 1.00 0.42 H new ATOM 0 HG1 THR A 70 1.352 2.143 11.079 1.00 0.51 H new ATOM 0 HG21 THR A 70 3.628 2.670 11.521 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.652 3.097 10.130 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.392 4.225 10.687 1.00 0.44 H new ATOM 1040 N PRO A 71 2.334 1.289 6.629 1.00 0.32 N ATOM 1041 CA PRO A 71 1.577 0.364 5.750 1.00 0.31 C ATOM 1042 C PRO A 71 0.410 -0.296 6.493 1.00 0.29 C ATOM 1043 O PRO A 71 -0.569 -0.714 5.885 1.00 0.33 O ATOM 1044 CB PRO A 71 2.617 -0.695 5.365 1.00 0.34 C ATOM 1045 CG PRO A 71 3.917 0.010 5.487 1.00 0.38 C ATOM 1046 CD PRO A 71 3.764 0.934 6.665 1.00 0.36 C ATOM 0 HA PRO A 71 1.136 0.878 4.896 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.569 -1.559 6.027 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.456 -1.061 4.351 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.733 -0.695 5.645 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.148 0.567 4.579 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.034 0.443 7.600 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.400 1.814 6.572 1.00 0.36 H new ATOM 1054 N ARG A 72 0.531 -0.350 7.813 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.497 -0.865 8.709 1.00 0.34 C ATOM 1056 C ARG A 72 -1.794 -0.088 8.483 1.00 0.36 C ATOM 1057 O ARG A 72 -2.864 -0.661 8.282 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.015 -0.635 10.151 1.00 0.41 C ATOM 1059 CG ARG A 72 -0.962 -1.091 11.238 1.00 0.54 C ATOM 1060 CD ARG A 72 -0.466 -0.658 12.615 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.407 0.817 12.769 1.00 0.75 N ATOM 1062 CZ ARG A 72 -0.278 1.460 13.945 1.00 0.98 C ATOM 1063 NH1 ARG A 72 -0.029 0.763 15.063 1.00 1.38 N ATOM 1064 NH2 ARG A 72 -0.353 2.800 13.991 1.00 1.16 N ATOM 0 H ARG A 72 1.367 -0.029 8.302 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.675 -1.925 8.525 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.936 -1.150 10.283 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.178 0.429 10.285 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -1.954 -0.676 11.058 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -1.060 -2.176 11.208 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -1.123 -1.072 13.379 1.00 0.69 H new ATOM 0 HD3 ARG A 72 0.526 -1.076 12.787 1.00 0.69 H new ATOM 0 HE ARG A 72 -0.469 1.384 11.923 1.00 0.75 H new ATOM 0 HH11 ARG A 72 0.062 -0.252 15.021 1.00 1.38 H new ATOM 0 HH12 ARG A 72 0.069 1.248 15.955 1.00 1.38 H new ATOM 0 HH21 ARG A 72 -0.508 3.332 13.135 1.00 1.16 H new ATOM 0 HH22 ARG A 72 -0.255 3.286 14.882 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.643 1.217 8.452 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.732 2.153 8.327 1.00 0.42 C ATOM 1080 C GLU A 73 -3.267 2.186 6.901 1.00 0.40 C ATOM 1081 O GLU A 73 -4.424 2.491 6.674 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.222 3.505 8.819 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.947 3.460 10.323 1.00 0.63 C ATOM 1084 CD GLU A 73 -0.914 4.446 10.784 1.00 0.74 C ATOM 1085 OE1 GLU A 73 -0.166 4.974 9.925 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -0.930 4.805 11.986 1.00 1.33 O ATOM 0 H GLU A 73 -0.730 1.668 8.515 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.585 1.855 8.936 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.310 3.773 8.285 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -2.958 4.279 8.601 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -2.878 3.648 10.858 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -1.621 2.455 10.593 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.432 1.796 5.962 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.828 1.737 4.569 1.00 0.43 C ATOM 1095 C LEU A 74 -3.730 0.490 4.376 1.00 0.41 C ATOM 1096 O LEU A 74 -4.746 0.537 3.681 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.555 1.668 3.668 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.650 2.210 2.215 1.00 0.50 C ATOM 1099 CD1 LEU A 74 -0.304 2.099 1.522 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -2.720 1.512 1.389 1.00 1.10 C ATOM 0 H LEU A 74 -1.468 1.513 6.139 1.00 0.40 H new ATOM 0 HA LEU A 74 -3.387 2.628 4.283 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.759 2.214 4.175 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -1.242 0.625 3.614 1.00 0.44 H new ATOM 0 HG LEU A 74 -1.941 3.258 2.291 1.00 0.50 H new ATOM 0 HD11 LEU A 74 -0.386 2.482 0.505 1.00 1.04 H new ATOM 0 HD12 LEU A 74 0.437 2.681 2.071 1.00 1.04 H new ATOM 0 HD13 LEU A 74 0.005 1.054 1.492 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -2.737 1.935 0.384 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -2.497 0.447 1.331 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -3.693 1.654 1.859 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.361 -0.602 5.038 1.00 0.41 N ATOM 1113 CA LEU A 75 -4.108 -1.859 4.970 1.00 0.41 C ATOM 1114 C LEU A 75 -5.537 -1.662 5.485 1.00 0.39 C ATOM 1115 O LEU A 75 -6.514 -1.989 4.787 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.400 -2.936 5.798 1.00 0.46 C ATOM 1117 CG LEU A 75 -4.012 -4.333 5.761 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.929 -4.930 4.365 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -3.340 -5.230 6.785 1.00 0.54 C ATOM 0 H LEU A 75 -2.537 -0.643 5.637 1.00 0.41 H new ATOM 0 HA LEU A 75 -4.153 -2.180 3.929 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -2.368 -3.006 5.455 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.370 -2.604 6.836 1.00 0.46 H new ATOM 0 HG LEU A 75 -5.068 -4.253 6.019 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.373 -5.926 4.368 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -4.470 -4.294 3.664 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.885 -4.999 4.060 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -3.787 -6.224 6.747 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -2.275 -5.302 6.563 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.475 -4.809 7.781 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.657 -1.080 6.685 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.974 -0.807 7.280 1.00 0.48 C ATOM 1133 C ASP A 76 -7.770 0.165 6.457 1.00 0.40 C ATOM 1134 O ASP A 76 -8.986 0.094 6.424 1.00 0.44 O ATOM 1135 CB ASP A 76 -6.901 -0.281 8.732 1.00 0.66 C ATOM 1136 CG ASP A 76 -6.582 -1.338 9.764 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -7.419 -2.252 9.986 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -5.536 -1.225 10.434 1.00 1.89 O ATOM 0 H ASP A 76 -4.866 -0.791 7.260 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.473 -1.776 7.296 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -6.143 0.501 8.785 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -7.855 0.182 8.986 1.00 0.66 H new ATOM 1143 N LEU A 77 -7.081 1.064 5.781 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.728 2.096 4.989 1.00 0.38 C ATOM 1145 C LEU A 77 -8.474 1.450 3.798 1.00 0.33 C ATOM 1146 O LEU A 77 -9.647 1.741 3.555 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.665 3.133 4.517 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.154 4.531 4.048 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -7.946 4.483 2.740 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -7.973 5.193 5.150 1.00 1.24 C ATOM 0 H LEU A 77 -6.062 1.101 5.764 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.466 2.625 5.593 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -5.963 3.285 5.337 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.105 2.685 3.696 1.00 0.46 H new ATOM 0 HG LEU A 77 -6.265 5.128 3.844 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -8.259 5.491 2.467 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -7.319 4.071 1.950 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -8.826 3.853 2.870 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -8.312 6.173 4.813 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -8.837 4.571 5.385 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -7.357 5.309 6.041 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.815 0.535 3.120 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.383 -0.095 1.944 1.00 0.32 C ATOM 1164 C ILE A 78 -9.510 -1.017 2.341 1.00 0.29 C ATOM 1165 O ILE A 78 -10.656 -0.860 1.880 1.00 0.33 O ATOM 1166 CB ILE A 78 -7.298 -0.859 1.120 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -6.347 0.142 0.438 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.922 -1.824 0.122 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -5.290 -0.482 -0.460 1.00 0.63 C ATOM 0 H ILE A 78 -6.880 0.208 3.364 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.783 0.689 1.300 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.711 -1.468 1.808 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -6.941 0.837 -0.155 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -5.847 0.727 1.209 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -7.134 -2.335 -0.431 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.527 -2.558 0.655 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -8.553 -1.271 -0.574 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -4.671 0.304 -0.893 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -4.665 -1.155 0.127 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -5.776 -1.043 -1.258 1.00 0.63 H new ATOM 1181 N ASN A 79 -9.199 -1.943 3.213 1.00 0.30 N ATOM 1182 CA ASN A 79 -10.164 -2.927 3.647 1.00 0.33 C ATOM 1183 C ASN A 79 -11.317 -2.295 4.437 1.00 0.37 C ATOM 1184 O ASN A 79 -12.434 -2.829 4.468 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.484 -4.057 4.413 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.637 -4.955 3.501 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -8.930 -5.133 2.316 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -7.612 -5.544 4.033 1.00 0.55 N ATOM 0 H ASN A 79 -8.278 -2.038 3.640 1.00 0.30 H new ATOM 0 HA ASN A 79 -10.614 -3.365 2.756 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -8.850 -3.634 5.192 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -10.242 -4.662 4.912 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -7.033 -6.167 3.470 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -7.385 -5.385 5.015 1.00 0.55 H new ATOM 1195 N GLY A 80 -11.056 -1.145 5.035 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.082 -0.407 5.729 1.00 0.46 C ATOM 1197 C GLY A 80 -13.032 0.264 4.756 1.00 0.47 C ATOM 1198 O GLY A 80 -14.244 0.278 4.979 1.00 0.57 O ATOM 0 H GLY A 80 -10.136 -0.706 5.050 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -12.640 -1.080 6.380 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -11.622 0.346 6.369 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.484 0.806 3.654 1.00 0.43 N ATOM 1203 CA ALA A 81 -13.296 1.448 2.637 1.00 0.49 C ATOM 1204 C ALA A 81 -14.166 0.404 1.950 1.00 0.54 C ATOM 1205 O ALA A 81 -15.333 0.644 1.648 1.00 0.68 O ATOM 1206 CB ALA A 81 -12.429 2.181 1.633 1.00 0.49 C ATOM 0 H ALA A 81 -11.483 0.806 3.457 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.940 2.189 3.111 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -13.062 2.653 0.882 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.844 2.944 2.146 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.757 1.473 1.148 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.584 -0.769 1.719 1.00 0.48 N ATOM 1213 CA LEU A 82 -14.313 -1.920 1.179 1.00 0.57 C ATOM 1214 C LEU A 82 -15.505 -2.267 2.068 1.00 0.70 C ATOM 1215 O LEU A 82 -16.606 -2.495 1.585 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.380 -3.134 1.081 1.00 0.54 C ATOM 1217 CG LEU A 82 -12.258 -3.026 0.043 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -11.279 -4.164 0.195 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -12.839 -3.024 -1.361 1.00 0.63 C ATOM 0 H LEU A 82 -12.597 -0.952 1.899 1.00 0.48 H new ATOM 0 HA LEU A 82 -14.677 -1.659 0.185 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -12.930 -3.304 2.059 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -13.981 -4.013 0.850 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.728 -2.088 0.209 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -10.491 -4.068 -0.552 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -10.840 -4.135 1.192 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -11.798 -5.112 0.054 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -12.031 -2.947 -2.089 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -13.391 -3.949 -1.528 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -13.512 -2.175 -1.475 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.283 -2.267 3.371 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.320 -2.600 4.335 1.00 0.87 C ATOM 1233 C ALA A 83 -17.331 -1.465 4.529 1.00 1.01 C ATOM 1234 O ALA A 83 -18.337 -1.637 5.225 1.00 1.25 O ATOM 1235 CB ALA A 83 -15.698 -2.998 5.657 1.00 0.90 C ATOM 0 H ALA A 83 -14.382 -2.037 3.791 1.00 0.69 H new ATOM 0 HA ALA A 83 -16.876 -3.447 3.932 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -16.485 -3.245 6.370 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -15.056 -3.867 5.510 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -15.105 -2.170 6.044 1.00 0.90 H new