USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00164 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 88:sc= 1.41 USER MOD Single : A 21 THR OG1 : rot 10:sc= 0.608 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0246 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -45:sc= -5.66! USER MOD Single : A 42 SER OG : rot 180:sc= 0.0488 USER MOD Single : A 46 MET CE :methyl 164:sc= -1.33 (180deg=-2.36!) USER MOD Single : A 48 THR OG1 : rot 73:sc= -0.786! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 40:sc= 1.29 USER MOD Single : A 59 SER OG : rot 180:sc= -0.104 USER MOD Single : A 70 THR OG1 : rot -54:sc= -0.979! USER MOD Single : A 79 ASN : amide:sc= -0.497 K(o=-0.5,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -12.791 -5.167 -0.404 1.00 1.02 N ATOM 45 CA LEU A 4 -11.688 -4.543 0.279 1.00 0.75 C ATOM 46 C LEU A 4 -10.423 -5.197 -0.187 1.00 0.71 C ATOM 47 O LEU A 4 -10.472 -6.239 -0.868 1.00 0.97 O ATOM 48 CB LEU A 4 -11.835 -4.687 1.798 1.00 0.70 C ATOM 49 CG LEU A 4 -13.057 -4.007 2.406 1.00 0.76 C ATOM 50 CD1 LEU A 4 -13.177 -4.332 3.880 1.00 1.20 C ATOM 51 CD2 LEU A 4 -13.003 -2.499 2.195 1.00 1.38 C ATOM 0 HA LEU A 4 -11.668 -3.477 0.052 1.00 0.75 H new ATOM 0 HB2 LEU A 4 -11.872 -5.748 2.043 1.00 0.70 H new ATOM 0 HB3 LEU A 4 -10.941 -4.281 2.272 1.00 0.70 H new ATOM 0 HG LEU A 4 -13.941 -4.391 1.897 1.00 0.76 H new ATOM 0 HD11 LEU A 4 -14.056 -3.836 4.292 1.00 1.20 H new ATOM 0 HD12 LEU A 4 -13.276 -5.410 4.008 1.00 1.20 H new ATOM 0 HD13 LEU A 4 -12.286 -3.985 4.403 1.00 1.20 H new ATOM 0 HD21 LEU A 4 -13.886 -2.038 2.638 1.00 1.38 H new ATOM 0 HD22 LEU A 4 -12.107 -2.097 2.669 1.00 1.38 H new ATOM 0 HD23 LEU A 4 -12.977 -2.282 1.127 1.00 1.38 H new ATOM 63 N LEU A 5 -9.298 -4.634 0.153 1.00 0.58 N ATOM 64 CA LEU A 5 -8.068 -5.228 -0.278 1.00 0.50 C ATOM 65 C LEU A 5 -7.703 -6.324 0.659 1.00 0.43 C ATOM 66 O LEU A 5 -7.714 -6.137 1.874 1.00 0.50 O ATOM 67 CB LEU A 5 -6.933 -4.211 -0.391 1.00 0.47 C ATOM 68 CG LEU A 5 -7.116 -3.124 -1.424 1.00 0.53 C ATOM 69 CD1 LEU A 5 -5.902 -2.244 -1.447 1.00 0.72 C ATOM 70 CD2 LEU A 5 -7.357 -3.726 -2.783 1.00 0.97 C ATOM 0 H LEU A 5 -9.208 -3.786 0.713 1.00 0.58 H new ATOM 0 HA LEU A 5 -8.219 -5.630 -1.280 1.00 0.50 H new ATOM 0 HB2 LEU A 5 -6.796 -3.740 0.582 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -6.012 -4.748 -0.618 1.00 0.47 H new ATOM 0 HG LEU A 5 -7.986 -2.523 -1.160 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -6.035 -1.460 -2.193 1.00 0.72 H new ATOM 0 HD12 LEU A 5 -5.762 -1.791 -0.465 1.00 0.72 H new ATOM 0 HD13 LEU A 5 -5.025 -2.840 -1.700 1.00 0.72 H new ATOM 0 HD21 LEU A 5 -7.487 -2.930 -3.516 1.00 0.97 H new ATOM 0 HD22 LEU A 5 -6.503 -4.343 -3.064 1.00 0.97 H new ATOM 0 HD23 LEU A 5 -8.256 -4.342 -2.754 1.00 0.97 H new ATOM 82 N THR A 6 -7.456 -7.469 0.121 1.00 0.40 N ATOM 83 CA THR A 6 -7.055 -8.579 0.906 1.00 0.44 C ATOM 84 C THR A 6 -5.546 -8.526 1.143 1.00 0.46 C ATOM 85 O THR A 6 -4.873 -7.622 0.628 1.00 0.49 O ATOM 86 CB THR A 6 -7.511 -9.911 0.279 1.00 0.54 C ATOM 87 OG1 THR A 6 -7.085 -9.976 -1.098 1.00 0.63 O ATOM 88 CG2 THR A 6 -9.026 -10.050 0.349 1.00 0.56 C ATOM 0 H THR A 6 -7.527 -7.659 -0.879 1.00 0.40 H new ATOM 0 HA THR A 6 -7.547 -8.523 1.877 1.00 0.44 H new ATOM 0 HB THR A 6 -7.058 -10.727 0.842 1.00 0.54 H new ATOM 0 HG1 THR A 6 -7.376 -10.825 -1.491 1.00 0.63 H new ATOM 0 HG21 THR A 6 -9.326 -10.997 -0.099 1.00 0.56 H new ATOM 0 HG22 THR A 6 -9.346 -10.024 1.391 1.00 0.56 H new ATOM 0 HG23 THR A 6 -9.492 -9.228 -0.194 1.00 0.56 H new ATOM 96 N THR A 7 -5.003 -9.480 1.844 1.00 0.49 N ATOM 97 CA THR A 7 -3.618 -9.399 2.227 1.00 0.51 C ATOM 98 C THR A 7 -2.668 -9.711 1.059 1.00 0.46 C ATOM 99 O THR A 7 -1.681 -9.005 0.857 1.00 0.47 O ATOM 100 CB THR A 7 -3.327 -10.332 3.395 1.00 0.64 C ATOM 101 OG1 THR A 7 -4.463 -10.329 4.292 1.00 1.09 O ATOM 102 CG2 THR A 7 -2.104 -9.824 4.147 1.00 0.92 C ATOM 0 H THR A 7 -5.491 -10.318 2.161 1.00 0.49 H new ATOM 0 HA THR A 7 -3.437 -8.369 2.533 1.00 0.51 H new ATOM 0 HB THR A 7 -3.143 -11.341 3.026 1.00 0.64 H new ATOM 0 HG1 THR A 7 -4.286 -10.929 5.047 1.00 1.09 H new ATOM 0 HG21 THR A 7 -1.890 -10.488 4.985 1.00 0.92 H new ATOM 0 HG22 THR A 7 -1.247 -9.801 3.474 1.00 0.92 H new ATOM 0 HG23 THR A 7 -2.298 -8.819 4.521 1.00 0.92 H new ATOM 110 N ASP A 8 -2.972 -10.738 0.278 1.00 0.51 N ATOM 111 CA ASP A 8 -2.070 -11.133 -0.808 1.00 0.54 C ATOM 112 C ASP A 8 -2.172 -10.154 -1.962 1.00 0.50 C ATOM 113 O ASP A 8 -1.180 -9.868 -2.639 1.00 0.52 O ATOM 114 CB ASP A 8 -2.345 -12.556 -1.288 1.00 0.69 C ATOM 115 CG ASP A 8 -1.332 -13.034 -2.306 1.00 1.24 C ATOM 116 OD1 ASP A 8 -0.270 -13.549 -1.924 1.00 1.37 O ATOM 117 OD2 ASP A 8 -1.572 -12.864 -3.508 1.00 2.13 O ATOM 0 H ASP A 8 -3.815 -11.305 0.367 1.00 0.51 H new ATOM 0 HA ASP A 8 -1.054 -11.113 -0.414 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -2.341 -13.231 -0.432 1.00 0.69 H new ATOM 0 HB3 ASP A 8 -3.343 -12.602 -1.725 1.00 0.69 H new ATOM 122 N ASP A 9 -3.363 -9.607 -2.144 1.00 0.50 N ATOM 123 CA ASP A 9 -3.607 -8.599 -3.182 1.00 0.55 C ATOM 124 C ASP A 9 -2.823 -7.339 -2.836 1.00 0.47 C ATOM 125 O ASP A 9 -2.161 -6.739 -3.690 1.00 0.49 O ATOM 126 CB ASP A 9 -5.102 -8.294 -3.279 1.00 0.69 C ATOM 127 CG ASP A 9 -5.477 -7.401 -4.452 1.00 1.11 C ATOM 128 OD1 ASP A 9 -4.942 -7.606 -5.561 1.00 1.24 O ATOM 129 OD2 ASP A 9 -6.272 -6.440 -4.263 1.00 1.94 O ATOM 0 H ASP A 9 -4.185 -9.841 -1.587 1.00 0.50 H new ATOM 0 HA ASP A 9 -3.277 -8.976 -4.150 1.00 0.55 H new ATOM 0 HB2 ASP A 9 -5.649 -9.233 -3.361 1.00 0.69 H new ATOM 0 HB3 ASP A 9 -5.426 -7.816 -2.354 1.00 0.69 H new ATOM 134 N LEU A 10 -2.864 -6.986 -1.550 1.00 0.43 N ATOM 135 CA LEU A 10 -2.087 -5.885 -1.009 1.00 0.41 C ATOM 136 C LEU A 10 -0.604 -6.176 -1.207 1.00 0.37 C ATOM 137 O LEU A 10 0.150 -5.319 -1.669 1.00 0.42 O ATOM 138 CB LEU A 10 -2.384 -5.719 0.497 1.00 0.44 C ATOM 139 CG LEU A 10 -1.611 -4.619 1.240 1.00 0.57 C ATOM 140 CD1 LEU A 10 -1.983 -3.254 0.723 1.00 0.83 C ATOM 141 CD2 LEU A 10 -1.852 -4.701 2.738 1.00 0.79 C ATOM 0 H LEU A 10 -3.442 -7.462 -0.857 1.00 0.43 H new ATOM 0 HA LEU A 10 -2.356 -4.964 -1.527 1.00 0.41 H new ATOM 0 HB2 LEU A 10 -3.450 -5.522 0.613 1.00 0.44 H new ATOM 0 HB3 LEU A 10 -2.180 -6.669 0.990 1.00 0.44 H new ATOM 0 HG LEU A 10 -0.549 -4.778 1.054 1.00 0.57 H new ATOM 0 HD11 LEU A 10 -1.421 -2.494 1.266 1.00 0.83 H new ATOM 0 HD12 LEU A 10 -1.746 -3.190 -0.339 1.00 0.83 H new ATOM 0 HD13 LEU A 10 -3.051 -3.089 0.867 1.00 0.83 H new ATOM 0 HD21 LEU A 10 -1.293 -3.911 3.240 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -2.916 -4.579 2.943 1.00 0.79 H new ATOM 0 HD23 LEU A 10 -1.520 -5.671 3.107 1.00 0.79 H new ATOM 153 N ARG A 11 -0.205 -7.411 -0.874 1.00 0.36 N ATOM 154 CA ARG A 11 1.177 -7.847 -0.994 1.00 0.37 C ATOM 155 C ARG A 11 1.696 -7.685 -2.405 1.00 0.37 C ATOM 156 O ARG A 11 2.630 -6.954 -2.618 1.00 0.37 O ATOM 157 CB ARG A 11 1.376 -9.307 -0.537 1.00 0.40 C ATOM 158 CG ARG A 11 2.830 -9.762 -0.643 1.00 0.50 C ATOM 159 CD ARG A 11 3.053 -11.193 -0.179 1.00 0.59 C ATOM 160 NE ARG A 11 2.358 -12.206 -0.998 1.00 0.96 N ATOM 161 CZ ARG A 11 2.957 -13.302 -1.498 1.00 1.40 C ATOM 162 NH1 ARG A 11 4.277 -13.362 -1.613 1.00 1.74 N ATOM 163 NH2 ARG A 11 2.230 -14.277 -1.987 1.00 2.00 N ATOM 0 H ARG A 11 -0.836 -8.128 -0.516 1.00 0.36 H new ATOM 0 HA ARG A 11 1.750 -7.200 -0.330 1.00 0.37 H new ATOM 0 HB2 ARG A 11 1.041 -9.410 0.495 1.00 0.40 H new ATOM 0 HB3 ARG A 11 0.749 -9.962 -1.142 1.00 0.40 H new ATOM 0 HG2 ARG A 11 3.157 -9.669 -1.679 1.00 0.50 H new ATOM 0 HG3 ARG A 11 3.455 -9.095 -0.050 1.00 0.50 H new ATOM 0 HD2 ARG A 11 4.122 -11.405 -0.189 1.00 0.59 H new ATOM 0 HD3 ARG A 11 2.719 -11.285 0.854 1.00 0.59 H new ATOM 0 HE ARG A 11 1.367 -12.067 -1.196 1.00 0.96 H new ATOM 0 HH11 ARG A 11 4.851 -12.571 -1.321 1.00 1.74 H new ATOM 0 HH12 ARG A 11 4.718 -14.199 -1.994 1.00 1.74 H new ATOM 0 HH21 ARG A 11 1.213 -14.204 -1.988 1.00 2.00 H new ATOM 0 HH22 ARG A 11 2.682 -15.109 -2.367 1.00 2.00 H new ATOM 177 N ARG A 12 1.051 -8.333 -3.358 1.00 0.39 N ATOM 178 CA ARG A 12 1.532 -8.353 -4.737 1.00 0.42 C ATOM 179 C ARG A 12 1.681 -6.967 -5.355 1.00 0.42 C ATOM 180 O ARG A 12 2.704 -6.680 -6.001 1.00 0.49 O ATOM 181 CB ARG A 12 0.705 -9.289 -5.619 1.00 0.52 C ATOM 182 CG ARG A 12 0.879 -10.775 -5.295 1.00 1.15 C ATOM 183 CD ARG A 12 2.342 -11.191 -5.410 1.00 1.30 C ATOM 184 NE ARG A 12 2.554 -12.629 -5.297 1.00 1.59 N ATOM 185 CZ ARG A 12 3.763 -13.217 -5.224 1.00 2.08 C ATOM 186 NH1 ARG A 12 4.882 -12.481 -5.268 1.00 2.14 N ATOM 187 NH2 ARG A 12 3.852 -14.532 -5.147 1.00 2.82 N ATOM 0 H ARG A 12 0.189 -8.856 -3.206 1.00 0.39 H new ATOM 0 HA ARG A 12 2.542 -8.759 -4.687 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -0.348 -9.028 -5.518 1.00 0.52 H new ATOM 0 HB3 ARG A 12 0.977 -9.122 -6.661 1.00 0.52 H new ATOM 0 HG2 ARG A 12 0.518 -10.976 -4.286 1.00 1.15 H new ATOM 0 HG3 ARG A 12 0.272 -11.373 -5.975 1.00 1.15 H new ATOM 0 HD2 ARG A 12 2.733 -10.849 -6.368 1.00 1.30 H new ATOM 0 HD3 ARG A 12 2.916 -10.686 -4.633 1.00 1.30 H new ATOM 0 HE ARG A 12 1.731 -13.230 -5.272 1.00 1.59 H new ATOM 0 HH11 ARG A 12 4.822 -11.467 -5.357 1.00 2.14 H new ATOM 0 HH12 ARG A 12 5.794 -12.935 -5.212 1.00 2.14 H new ATOM 0 HH21 ARG A 12 3.006 -15.101 -5.143 1.00 2.82 H new ATOM 0 HH22 ARG A 12 4.767 -14.979 -5.092 1.00 2.82 H new ATOM 201 N ALA A 13 0.712 -6.103 -5.127 1.00 0.41 N ATOM 202 CA ALA A 13 0.771 -4.746 -5.646 1.00 0.47 C ATOM 203 C ALA A 13 1.918 -3.970 -5.004 1.00 0.43 C ATOM 204 O ALA A 13 2.610 -3.180 -5.678 1.00 0.48 O ATOM 205 CB ALA A 13 -0.540 -4.036 -5.417 1.00 0.55 C ATOM 0 H ALA A 13 -0.127 -6.314 -4.586 1.00 0.41 H new ATOM 0 HA ALA A 13 0.954 -4.799 -6.719 1.00 0.47 H new ATOM 0 HB1 ALA A 13 -0.478 -3.022 -5.811 1.00 0.55 H new ATOM 0 HB2 ALA A 13 -1.339 -4.575 -5.925 1.00 0.55 H new ATOM 0 HB3 ALA A 13 -0.751 -3.997 -4.348 1.00 0.55 H new ATOM 211 N LEU A 14 2.128 -4.222 -3.717 1.00 0.39 N ATOM 212 CA LEU A 14 3.189 -3.591 -2.949 1.00 0.40 C ATOM 213 C LEU A 14 4.541 -4.107 -3.462 1.00 0.39 C ATOM 214 O LEU A 14 5.430 -3.335 -3.759 1.00 0.46 O ATOM 215 CB LEU A 14 2.996 -3.918 -1.450 1.00 0.44 C ATOM 216 CG LEU A 14 3.841 -3.136 -0.438 1.00 0.43 C ATOM 217 CD1 LEU A 14 3.457 -1.668 -0.417 1.00 0.81 C ATOM 218 CD2 LEU A 14 3.702 -3.733 0.945 1.00 0.70 C ATOM 0 H LEU A 14 1.561 -4.875 -3.176 1.00 0.39 H new ATOM 0 HA LEU A 14 3.160 -2.508 -3.067 1.00 0.40 H new ATOM 0 HB2 LEU A 14 1.946 -3.760 -1.204 1.00 0.44 H new ATOM 0 HB3 LEU A 14 3.200 -4.979 -1.309 1.00 0.44 H new ATOM 0 HG LEU A 14 4.883 -3.209 -0.749 1.00 0.43 H new ATOM 0 HD11 LEU A 14 4.074 -1.141 0.311 1.00 0.81 H new ATOM 0 HD12 LEU A 14 3.613 -1.237 -1.406 1.00 0.81 H new ATOM 0 HD13 LEU A 14 2.407 -1.570 -0.141 1.00 0.81 H new ATOM 0 HD21 LEU A 14 4.309 -3.164 1.649 1.00 0.70 H new ATOM 0 HD22 LEU A 14 2.657 -3.696 1.254 1.00 0.70 H new ATOM 0 HD23 LEU A 14 4.039 -4.769 0.930 1.00 0.70 H new ATOM 230 N VAL A 15 4.630 -5.433 -3.630 1.00 0.38 N ATOM 231 CA VAL A 15 5.829 -6.125 -4.139 1.00 0.44 C ATOM 232 C VAL A 15 6.293 -5.524 -5.461 1.00 0.47 C ATOM 233 O VAL A 15 7.480 -5.189 -5.634 1.00 0.54 O ATOM 234 CB VAL A 15 5.549 -7.655 -4.357 1.00 0.51 C ATOM 235 CG1 VAL A 15 6.728 -8.350 -5.021 1.00 0.64 C ATOM 236 CG2 VAL A 15 5.256 -8.338 -3.047 1.00 0.55 C ATOM 0 H VAL A 15 3.861 -6.068 -3.414 1.00 0.38 H new ATOM 0 HA VAL A 15 6.609 -5.999 -3.388 1.00 0.44 H new ATOM 0 HB VAL A 15 4.681 -7.728 -5.012 1.00 0.51 H new ATOM 0 HG11 VAL A 15 6.498 -9.407 -5.156 1.00 0.64 H new ATOM 0 HG12 VAL A 15 6.920 -7.893 -5.992 1.00 0.64 H new ATOM 0 HG13 VAL A 15 7.612 -8.248 -4.391 1.00 0.64 H new ATOM 0 HG21 VAL A 15 5.065 -9.397 -3.223 1.00 0.55 H new ATOM 0 HG22 VAL A 15 6.112 -8.229 -2.381 1.00 0.55 H new ATOM 0 HG23 VAL A 15 4.379 -7.883 -2.588 1.00 0.55 H new ATOM 246 N GLU A 16 5.378 -5.416 -6.395 1.00 0.48 N ATOM 247 CA GLU A 16 5.691 -4.910 -7.711 1.00 0.58 C ATOM 248 C GLU A 16 6.108 -3.456 -7.686 1.00 0.59 C ATOM 249 O GLU A 16 7.134 -3.093 -8.267 1.00 0.74 O ATOM 250 CB GLU A 16 4.523 -5.112 -8.648 1.00 0.69 C ATOM 251 CG GLU A 16 4.195 -6.563 -8.882 1.00 1.08 C ATOM 252 CD GLU A 16 3.016 -6.737 -9.777 1.00 1.37 C ATOM 253 OE1 GLU A 16 3.177 -6.607 -11.001 1.00 1.75 O ATOM 254 OE2 GLU A 16 1.908 -6.995 -9.281 1.00 1.79 O ATOM 0 H GLU A 16 4.400 -5.675 -6.266 1.00 0.48 H new ATOM 0 HA GLU A 16 6.544 -5.480 -8.079 1.00 0.58 H new ATOM 0 HB2 GLU A 16 3.646 -4.609 -8.239 1.00 0.69 H new ATOM 0 HB3 GLU A 16 4.746 -4.638 -9.604 1.00 0.69 H new ATOM 0 HG2 GLU A 16 5.059 -7.063 -9.321 1.00 1.08 H new ATOM 0 HG3 GLU A 16 3.998 -7.048 -7.926 1.00 1.08 H new ATOM 261 N SER A 17 5.374 -2.655 -6.965 1.00 0.55 N ATOM 262 CA SER A 17 5.590 -1.225 -6.964 1.00 0.62 C ATOM 263 C SER A 17 6.698 -0.800 -5.969 1.00 0.66 C ATOM 264 O SER A 17 7.041 0.371 -5.874 1.00 0.81 O ATOM 265 CB SER A 17 4.274 -0.532 -6.679 1.00 0.66 C ATOM 266 OG SER A 17 3.229 -1.063 -7.515 1.00 1.19 O ATOM 0 H SER A 17 4.612 -2.967 -6.363 1.00 0.55 H new ATOM 0 HA SER A 17 5.949 -0.921 -7.947 1.00 0.62 H new ATOM 0 HB2 SER A 17 4.009 -0.662 -5.630 1.00 0.66 H new ATOM 0 HB3 SER A 17 4.376 0.539 -6.852 1.00 0.66 H new ATOM 0 HG SER A 17 2.821 -1.838 -7.076 1.00 1.19 H new ATOM 272 N ALA A 18 7.247 -1.780 -5.236 1.00 0.59 N ATOM 273 CA ALA A 18 8.371 -1.564 -4.298 1.00 0.69 C ATOM 274 C ALA A 18 9.629 -1.169 -5.053 1.00 0.94 C ATOM 275 O ALA A 18 10.584 -0.631 -4.484 1.00 1.31 O ATOM 276 CB ALA A 18 8.649 -2.835 -3.527 1.00 0.71 C ATOM 0 H ALA A 18 6.927 -2.748 -5.273 1.00 0.59 H new ATOM 0 HA ALA A 18 8.093 -0.763 -3.613 1.00 0.69 H new ATOM 0 HB1 ALA A 18 9.477 -2.669 -2.838 1.00 0.71 H new ATOM 0 HB2 ALA A 18 7.761 -3.121 -2.964 1.00 0.71 H new ATOM 0 HB3 ALA A 18 8.910 -3.633 -4.222 1.00 0.71 H new ATOM 282 N GLY A 19 9.622 -1.494 -6.304 1.00 0.84 N ATOM 283 CA GLY A 19 10.671 -1.178 -7.197 1.00 1.12 C ATOM 284 C GLY A 19 10.102 -1.233 -8.563 1.00 1.09 C ATOM 285 O GLY A 19 9.291 -0.385 -8.936 1.00 1.38 O ATOM 0 H GLY A 19 8.855 -2.005 -6.741 1.00 0.84 H new ATOM 0 HA2 GLY A 19 11.073 -0.187 -6.986 1.00 1.12 H new ATOM 0 HA3 GLY A 19 11.494 -1.885 -7.092 1.00 1.12 H new ATOM 289 N GLU A 20 10.452 -2.231 -9.300 1.00 1.07 N ATOM 290 CA GLU A 20 9.860 -2.417 -10.579 1.00 1.31 C ATOM 291 C GLU A 20 9.691 -3.887 -10.845 1.00 1.32 C ATOM 292 O GLU A 20 10.667 -4.647 -10.764 1.00 1.70 O ATOM 293 CB GLU A 20 10.681 -1.749 -11.677 1.00 1.70 C ATOM 294 CG GLU A 20 10.002 -1.760 -13.038 1.00 2.51 C ATOM 295 CD GLU A 20 10.771 -0.996 -14.073 1.00 3.05 C ATOM 296 OE1 GLU A 20 10.667 0.243 -14.113 1.00 3.58 O ATOM 297 OE2 GLU A 20 11.511 -1.623 -14.867 1.00 3.30 O ATOM 0 H GLU A 20 11.146 -2.931 -9.038 1.00 1.07 H new ATOM 0 HA GLU A 20 8.879 -1.941 -10.582 1.00 1.31 H new ATOM 0 HB2 GLU A 20 10.884 -0.717 -11.390 1.00 1.70 H new ATOM 0 HB3 GLU A 20 11.644 -2.253 -11.757 1.00 1.70 H new ATOM 0 HG2 GLU A 20 9.879 -2.791 -13.370 1.00 2.51 H new ATOM 0 HG3 GLU A 20 9.003 -1.334 -12.945 1.00 2.51 H new ATOM 304 N THR A 21 8.446 -4.284 -11.112 1.00 1.59 N ATOM 305 CA THR A 21 8.060 -5.659 -11.470 1.00 1.78 C ATOM 306 C THR A 21 8.557 -6.700 -10.452 1.00 1.49 C ATOM 307 O THR A 21 9.548 -7.395 -10.688 1.00 1.79 O ATOM 308 CB THR A 21 8.519 -6.015 -12.916 1.00 2.25 C ATOM 309 OG1 THR A 21 9.948 -5.874 -13.047 1.00 2.61 O ATOM 310 CG2 THR A 21 7.856 -5.084 -13.906 1.00 2.75 C ATOM 0 H THR A 21 7.653 -3.644 -11.086 1.00 1.59 H new ATOM 0 HA THR A 21 6.971 -5.695 -11.441 1.00 1.78 H new ATOM 0 HB THR A 21 8.236 -7.048 -13.116 1.00 2.25 H new ATOM 0 HG1 THR A 21 10.345 -5.735 -12.162 1.00 2.61 H new ATOM 0 HG21 THR A 21 8.180 -5.336 -14.916 1.00 2.75 H new ATOM 0 HG22 THR A 21 6.773 -5.189 -13.835 1.00 2.75 H new ATOM 0 HG23 THR A 21 8.136 -4.055 -13.682 1.00 2.75 H new ATOM 318 N ASP A 22 7.894 -6.736 -9.304 1.00 1.18 N ATOM 319 CA ASP A 22 8.266 -7.607 -8.180 1.00 0.96 C ATOM 320 C ASP A 22 9.632 -7.224 -7.665 1.00 0.88 C ATOM 321 O ASP A 22 10.620 -7.950 -7.824 1.00 1.33 O ATOM 322 CB ASP A 22 8.182 -9.121 -8.505 1.00 1.20 C ATOM 323 CG ASP A 22 6.772 -9.608 -8.758 1.00 1.45 C ATOM 324 OD1 ASP A 22 6.306 -9.566 -9.917 1.00 2.09 O ATOM 325 OD2 ASP A 22 6.101 -10.043 -7.806 1.00 1.65 O ATOM 0 H ASP A 22 7.074 -6.159 -9.118 1.00 1.18 H new ATOM 0 HA ASP A 22 7.526 -7.446 -7.396 1.00 0.96 H new ATOM 0 HB2 ASP A 22 8.793 -9.330 -9.383 1.00 1.20 H new ATOM 0 HB3 ASP A 22 8.610 -9.686 -7.677 1.00 1.20 H new ATOM 330 N GLY A 23 9.683 -6.045 -7.083 1.00 0.62 N ATOM 331 CA GLY A 23 10.921 -5.482 -6.607 1.00 0.64 C ATOM 332 C GLY A 23 11.307 -5.969 -5.228 1.00 0.74 C ATOM 333 O GLY A 23 12.484 -6.121 -4.926 1.00 1.25 O ATOM 0 H GLY A 23 8.867 -5.453 -6.928 1.00 0.62 H new ATOM 0 HA2 GLY A 23 11.718 -5.729 -7.308 1.00 0.64 H new ATOM 0 HA3 GLY A 23 10.836 -4.395 -6.591 1.00 0.64 H new ATOM 337 N THR A 24 10.334 -6.182 -4.386 1.00 0.68 N ATOM 338 CA THR A 24 10.570 -6.639 -3.026 1.00 0.78 C ATOM 339 C THR A 24 9.345 -7.425 -2.560 1.00 0.70 C ATOM 340 O THR A 24 8.291 -6.847 -2.382 1.00 0.94 O ATOM 341 CB THR A 24 10.771 -5.410 -2.084 1.00 1.01 C ATOM 342 OG1 THR A 24 11.852 -4.580 -2.568 1.00 1.78 O ATOM 343 CG2 THR A 24 11.083 -5.853 -0.658 1.00 0.96 C ATOM 0 H THR A 24 9.349 -6.046 -4.615 1.00 0.68 H new ATOM 0 HA THR A 24 11.461 -7.266 -2.997 1.00 0.78 H new ATOM 0 HB THR A 24 9.841 -4.841 -2.080 1.00 1.01 H new ATOM 0 HG1 THR A 24 11.968 -3.812 -1.970 1.00 1.78 H new ATOM 0 HG21 THR A 24 11.218 -4.975 -0.026 1.00 0.96 H new ATOM 0 HG22 THR A 24 10.258 -6.453 -0.275 1.00 0.96 H new ATOM 0 HG23 THR A 24 11.997 -6.447 -0.653 1.00 0.96 H new ATOM 351 N ASP A 25 9.460 -8.737 -2.462 1.00 0.63 N ATOM 352 CA ASP A 25 8.337 -9.554 -1.995 1.00 0.57 C ATOM 353 C ASP A 25 8.252 -9.534 -0.494 1.00 0.74 C ATOM 354 O ASP A 25 9.247 -9.778 0.206 1.00 1.73 O ATOM 355 CB ASP A 25 8.388 -11.002 -2.500 1.00 0.66 C ATOM 356 CG ASP A 25 7.283 -11.868 -1.881 1.00 1.34 C ATOM 357 OD1 ASP A 25 6.113 -11.428 -1.834 1.00 2.00 O ATOM 358 OD2 ASP A 25 7.580 -13.007 -1.448 1.00 1.86 O ATOM 0 H ASP A 25 10.304 -9.261 -2.694 1.00 0.63 H new ATOM 0 HA ASP A 25 7.439 -9.104 -2.418 1.00 0.57 H new ATOM 0 HB2 ASP A 25 8.290 -11.011 -3.586 1.00 0.66 H new ATOM 0 HB3 ASP A 25 9.361 -11.434 -2.265 1.00 0.66 H new ATOM 363 N LEU A 26 7.077 -9.267 0.002 1.00 0.53 N ATOM 364 CA LEU A 26 6.845 -9.163 1.413 1.00 0.46 C ATOM 365 C LEU A 26 6.145 -10.413 1.884 1.00 0.60 C ATOM 366 O LEU A 26 4.959 -10.403 2.176 1.00 0.86 O ATOM 367 CB LEU A 26 6.015 -7.907 1.793 1.00 0.43 C ATOM 368 CG LEU A 26 6.556 -6.515 1.397 1.00 0.42 C ATOM 369 CD1 LEU A 26 8.014 -6.347 1.779 1.00 0.71 C ATOM 370 CD2 LEU A 26 6.320 -6.207 -0.075 1.00 0.79 C ATOM 0 H LEU A 26 6.245 -9.114 -0.569 1.00 0.53 H new ATOM 0 HA LEU A 26 7.811 -9.056 1.906 1.00 0.46 H new ATOM 0 HB2 LEU A 26 5.026 -8.017 1.348 1.00 0.43 H new ATOM 0 HB3 LEU A 26 5.880 -7.914 2.875 1.00 0.43 H new ATOM 0 HG LEU A 26 5.987 -5.782 1.969 1.00 0.42 H new ATOM 0 HD11 LEU A 26 8.356 -5.355 1.483 1.00 0.71 H new ATOM 0 HD12 LEU A 26 8.123 -6.462 2.857 1.00 0.71 H new ATOM 0 HD13 LEU A 26 8.613 -7.103 1.271 1.00 0.71 H new ATOM 0 HD21 LEU A 26 6.716 -5.219 -0.308 1.00 0.79 H new ATOM 0 HD22 LEU A 26 6.824 -6.954 -0.688 1.00 0.79 H new ATOM 0 HD23 LEU A 26 5.250 -6.227 -0.284 1.00 0.79 H new ATOM 382 N SER A 27 6.868 -11.492 1.860 1.00 0.69 N ATOM 383 CA SER A 27 6.352 -12.773 2.253 1.00 0.87 C ATOM 384 C SER A 27 6.125 -12.781 3.776 1.00 0.86 C ATOM 385 O SER A 27 6.982 -12.319 4.546 1.00 1.38 O ATOM 386 CB SER A 27 7.353 -13.858 1.840 1.00 1.31 C ATOM 387 OG SER A 27 6.754 -15.149 1.801 1.00 1.77 O ATOM 0 H SER A 27 7.844 -11.510 1.564 1.00 0.69 H new ATOM 0 HA SER A 27 5.399 -12.970 1.762 1.00 0.87 H new ATOM 0 HB2 SER A 27 7.763 -13.619 0.859 1.00 1.31 H new ATOM 0 HB3 SER A 27 8.188 -13.867 2.541 1.00 1.31 H new ATOM 0 HG SER A 27 7.423 -15.812 1.532 1.00 1.77 H new ATOM 393 N GLY A 28 4.978 -13.257 4.198 1.00 0.85 N ATOM 394 CA GLY A 28 4.670 -13.281 5.605 1.00 1.04 C ATOM 395 C GLY A 28 3.884 -12.055 5.969 1.00 0.98 C ATOM 396 O GLY A 28 3.121 -11.545 5.135 1.00 1.37 O ATOM 0 H GLY A 28 4.248 -13.630 3.591 1.00 0.85 H new ATOM 0 HA2 GLY A 28 4.099 -14.177 5.847 1.00 1.04 H new ATOM 0 HA3 GLY A 28 5.590 -13.322 6.188 1.00 1.04 H new ATOM 400 N ASP A 29 4.053 -11.553 7.162 1.00 0.88 N ATOM 401 CA ASP A 29 3.335 -10.360 7.538 1.00 0.85 C ATOM 402 C ASP A 29 4.201 -9.166 7.282 1.00 0.73 C ATOM 403 O ASP A 29 5.411 -9.177 7.564 1.00 0.93 O ATOM 404 CB ASP A 29 2.871 -10.360 8.995 1.00 1.08 C ATOM 405 CG ASP A 29 2.010 -9.136 9.318 1.00 1.69 C ATOM 406 OD1 ASP A 29 2.570 -8.059 9.609 1.00 2.15 O ATOM 407 OD2 ASP A 29 0.779 -9.223 9.309 1.00 2.39 O ATOM 0 H ASP A 29 4.667 -11.939 7.879 1.00 0.88 H new ATOM 0 HA ASP A 29 2.432 -10.325 6.929 1.00 0.85 H new ATOM 0 HB2 ASP A 29 2.302 -11.268 9.195 1.00 1.08 H new ATOM 0 HB3 ASP A 29 3.740 -10.377 9.653 1.00 1.08 H new ATOM 412 N PHE A 30 3.612 -8.172 6.722 1.00 0.56 N ATOM 413 CA PHE A 30 4.292 -6.955 6.417 1.00 0.50 C ATOM 414 C PHE A 30 3.511 -5.772 6.956 1.00 0.41 C ATOM 415 O PHE A 30 3.870 -4.641 6.732 1.00 0.40 O ATOM 416 CB PHE A 30 4.516 -6.838 4.897 1.00 0.50 C ATOM 417 CG PHE A 30 3.264 -6.987 4.058 1.00 0.43 C ATOM 418 CD1 PHE A 30 2.773 -8.235 3.735 1.00 0.50 C ATOM 419 CD2 PHE A 30 2.580 -5.866 3.599 1.00 0.42 C ATOM 420 CE1 PHE A 30 1.634 -8.369 2.974 1.00 0.53 C ATOM 421 CE2 PHE A 30 1.443 -5.995 2.838 1.00 0.45 C ATOM 422 CZ PHE A 30 0.974 -7.268 2.521 1.00 0.50 C ATOM 0 H PHE A 30 2.627 -8.176 6.456 1.00 0.56 H new ATOM 0 HA PHE A 30 5.270 -6.959 6.899 1.00 0.50 H new ATOM 0 HB2 PHE A 30 4.966 -5.869 4.684 1.00 0.50 H new ATOM 0 HB3 PHE A 30 5.235 -7.598 4.590 1.00 0.50 H new ATOM 0 HD1 PHE A 30 3.289 -9.118 4.083 1.00 0.50 H new ATOM 0 HD2 PHE A 30 2.948 -4.881 3.844 1.00 0.42 H new ATOM 0 HE1 PHE A 30 1.261 -9.354 2.735 1.00 0.53 H new ATOM 0 HE2 PHE A 30 0.918 -5.118 2.489 1.00 0.45 H new ATOM 0 HZ PHE A 30 0.087 -7.381 1.916 1.00 0.50 H new ATOM 432 N LEU A 31 2.467 -6.055 7.709 1.00 0.43 N ATOM 433 CA LEU A 31 1.622 -5.024 8.255 1.00 0.44 C ATOM 434 C LEU A 31 2.164 -4.516 9.558 1.00 0.52 C ATOM 435 O LEU A 31 1.986 -3.347 9.884 1.00 0.66 O ATOM 436 CB LEU A 31 0.161 -5.476 8.423 1.00 0.52 C ATOM 437 CG LEU A 31 -0.723 -5.464 7.163 1.00 0.68 C ATOM 438 CD1 LEU A 31 -0.259 -6.431 6.107 1.00 0.88 C ATOM 439 CD2 LEU A 31 -2.174 -5.708 7.518 1.00 1.47 C ATOM 0 H LEU A 31 2.185 -7.004 7.956 1.00 0.43 H new ATOM 0 HA LEU A 31 1.624 -4.211 7.529 1.00 0.44 H new ATOM 0 HB2 LEU A 31 0.164 -6.489 8.825 1.00 0.52 H new ATOM 0 HB3 LEU A 31 -0.307 -4.837 9.172 1.00 0.52 H new ATOM 0 HG LEU A 31 -0.630 -4.468 6.731 1.00 0.68 H new ATOM 0 HD11 LEU A 31 -0.923 -6.375 5.245 1.00 0.88 H new ATOM 0 HD12 LEU A 31 0.756 -6.176 5.801 1.00 0.88 H new ATOM 0 HD13 LEU A 31 -0.273 -7.444 6.510 1.00 0.88 H new ATOM 0 HD21 LEU A 31 -2.778 -5.695 6.611 1.00 1.47 H new ATOM 0 HD22 LEU A 31 -2.271 -6.679 8.004 1.00 1.47 H new ATOM 0 HD23 LEU A 31 -2.519 -4.927 8.195 1.00 1.47 H new ATOM 451 N ASP A 32 2.836 -5.389 10.306 1.00 0.60 N ATOM 452 CA ASP A 32 3.436 -4.972 11.575 1.00 0.84 C ATOM 453 C ASP A 32 4.749 -4.248 11.304 1.00 0.71 C ATOM 454 O ASP A 32 5.297 -3.566 12.177 1.00 0.85 O ATOM 455 CB ASP A 32 3.675 -6.163 12.546 1.00 1.20 C ATOM 456 CG ASP A 32 4.935 -6.977 12.259 1.00 1.57 C ATOM 457 OD1 ASP A 32 4.882 -7.957 11.498 1.00 2.21 O ATOM 458 OD2 ASP A 32 6.006 -6.670 12.838 1.00 2.05 O ATOM 0 H ASP A 32 2.978 -6.370 10.064 1.00 0.60 H new ATOM 0 HA ASP A 32 2.730 -4.301 12.065 1.00 0.84 H new ATOM 0 HB2 ASP A 32 3.731 -5.778 13.564 1.00 1.20 H new ATOM 0 HB3 ASP A 32 2.812 -6.827 12.504 1.00 1.20 H new ATOM 463 N LEU A 33 5.221 -4.385 10.083 1.00 0.55 N ATOM 464 CA LEU A 33 6.466 -3.791 9.648 1.00 0.52 C ATOM 465 C LEU A 33 6.224 -2.376 9.169 1.00 0.51 C ATOM 466 O LEU A 33 5.091 -1.991 8.895 1.00 0.77 O ATOM 467 CB LEU A 33 7.059 -4.603 8.491 1.00 0.60 C ATOM 468 CG LEU A 33 7.324 -6.081 8.760 1.00 0.84 C ATOM 469 CD1 LEU A 33 7.896 -6.744 7.522 1.00 1.48 C ATOM 470 CD2 LEU A 33 8.264 -6.251 9.934 1.00 1.44 C ATOM 0 H LEU A 33 4.744 -4.919 9.356 1.00 0.55 H new ATOM 0 HA LEU A 33 7.158 -3.785 10.490 1.00 0.52 H new ATOM 0 HB2 LEU A 33 6.382 -4.528 7.640 1.00 0.60 H new ATOM 0 HB3 LEU A 33 7.998 -4.137 8.194 1.00 0.60 H new ATOM 0 HG LEU A 33 6.378 -6.562 9.009 1.00 0.84 H new ATOM 0 HD11 LEU A 33 8.081 -7.799 7.727 1.00 1.48 H new ATOM 0 HD12 LEU A 33 7.186 -6.653 6.700 1.00 1.48 H new ATOM 0 HD13 LEU A 33 8.832 -6.258 7.249 1.00 1.48 H new ATOM 0 HD21 LEU A 33 8.440 -7.312 10.109 1.00 1.44 H new ATOM 0 HD22 LEU A 33 9.211 -5.758 9.716 1.00 1.44 H new ATOM 0 HD23 LEU A 33 7.819 -5.806 10.824 1.00 1.44 H new ATOM 482 N ARG A 34 7.274 -1.612 9.074 1.00 0.35 N ATOM 483 CA ARG A 34 7.195 -0.269 8.565 1.00 0.37 C ATOM 484 C ARG A 34 7.811 -0.249 7.181 1.00 0.37 C ATOM 485 O ARG A 34 8.600 -1.142 6.832 1.00 0.49 O ATOM 486 CB ARG A 34 8.002 0.667 9.450 1.00 0.44 C ATOM 487 CG ARG A 34 7.581 0.712 10.902 1.00 0.53 C ATOM 488 CD ARG A 34 8.665 1.378 11.721 1.00 0.95 C ATOM 489 NE ARG A 34 9.939 0.648 11.572 1.00 1.56 N ATOM 490 CZ ARG A 34 11.152 1.101 11.896 1.00 2.31 C ATOM 491 NH1 ARG A 34 11.309 2.333 12.360 1.00 2.63 N ATOM 492 NH2 ARG A 34 12.206 0.319 11.718 1.00 3.28 N ATOM 0 H ARG A 34 8.213 -1.902 9.348 1.00 0.35 H new ATOM 0 HA ARG A 34 6.153 0.051 8.541 1.00 0.37 H new ATOM 0 HB2 ARG A 34 9.050 0.371 9.402 1.00 0.44 H new ATOM 0 HB3 ARG A 34 7.936 1.674 9.039 1.00 0.44 H new ATOM 0 HG2 ARG A 34 6.645 1.261 11.003 1.00 0.53 H new ATOM 0 HG3 ARG A 34 7.400 -0.298 11.271 1.00 0.53 H new ATOM 0 HD2 ARG A 34 8.790 2.412 11.399 1.00 0.95 H new ATOM 0 HD3 ARG A 34 8.373 1.404 12.771 1.00 0.95 H new ATOM 0 HE ARG A 34 9.888 -0.294 11.184 1.00 1.56 H new ATOM 0 HH11 ARG A 34 10.499 2.943 12.472 1.00 2.63 H new ATOM 0 HH12 ARG A 34 12.240 2.671 12.605 1.00 2.63 H new ATOM 0 HH21 ARG A 34 12.086 -0.619 11.337 1.00 3.28 H new ATOM 0 HH22 ARG A 34 13.138 0.655 11.962 1.00 3.28 H new ATOM 506 N PHE A 35 7.500 0.768 6.410 1.00 0.32 N ATOM 507 CA PHE A 35 8.090 0.950 5.093 1.00 0.35 C ATOM 508 C PHE A 35 9.578 1.241 5.237 1.00 0.46 C ATOM 509 O PHE A 35 10.378 0.939 4.351 1.00 0.53 O ATOM 510 CB PHE A 35 7.384 2.067 4.316 1.00 0.33 C ATOM 511 CG PHE A 35 5.975 1.734 3.889 1.00 0.34 C ATOM 512 CD1 PHE A 35 5.736 0.851 2.860 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.895 2.287 4.544 1.00 0.37 C ATOM 514 CE1 PHE A 35 4.450 0.528 2.483 1.00 0.52 C ATOM 515 CE2 PHE A 35 3.605 1.969 4.178 1.00 0.44 C ATOM 516 CZ PHE A 35 3.389 1.159 3.065 1.00 0.53 C ATOM 0 H PHE A 35 6.833 1.494 6.673 1.00 0.32 H new ATOM 0 HA PHE A 35 7.962 0.030 4.522 1.00 0.35 H new ATOM 0 HB2 PHE A 35 7.361 2.965 4.934 1.00 0.33 H new ATOM 0 HB3 PHE A 35 7.973 2.305 3.430 1.00 0.33 H new ATOM 0 HD1 PHE A 35 6.570 0.404 2.339 1.00 0.43 H new ATOM 0 HD2 PHE A 35 5.062 2.979 5.356 1.00 0.37 H new ATOM 0 HE1 PHE A 35 4.282 -0.225 1.727 1.00 0.52 H new ATOM 0 HE2 PHE A 35 2.769 2.344 4.749 1.00 0.44 H new ATOM 0 HZ PHE A 35 2.393 1.032 2.667 1.00 0.53 H new ATOM 526 N GLU A 36 9.929 1.806 6.380 1.00 0.59 N ATOM 527 CA GLU A 36 11.311 2.056 6.757 1.00 0.80 C ATOM 528 C GLU A 36 12.074 0.744 6.998 1.00 0.82 C ATOM 529 O GLU A 36 13.296 0.720 6.935 1.00 0.94 O ATOM 530 CB GLU A 36 11.364 2.920 8.007 1.00 1.02 C ATOM 531 CG GLU A 36 10.845 4.330 7.807 1.00 1.13 C ATOM 532 CD GLU A 36 10.689 5.061 9.109 1.00 1.46 C ATOM 533 OE1 GLU A 36 11.663 5.683 9.570 1.00 1.95 O ATOM 534 OE2 GLU A 36 9.584 5.052 9.686 1.00 1.87 O ATOM 0 H GLU A 36 9.253 2.108 7.082 1.00 0.59 H new ATOM 0 HA GLU A 36 11.792 2.581 5.931 1.00 0.80 H new ATOM 0 HB2 GLU A 36 10.783 2.439 8.793 1.00 1.02 H new ATOM 0 HB3 GLU A 36 12.395 2.970 8.358 1.00 1.02 H new ATOM 0 HG2 GLU A 36 11.530 4.880 7.162 1.00 1.13 H new ATOM 0 HG3 GLU A 36 9.884 4.293 7.294 1.00 1.13 H new ATOM 541 N ASP A 37 11.353 -0.335 7.307 1.00 0.76 N ATOM 542 CA ASP A 37 11.995 -1.643 7.533 1.00 0.84 C ATOM 543 C ASP A 37 12.210 -2.345 6.226 1.00 0.79 C ATOM 544 O ASP A 37 13.227 -2.973 6.012 1.00 0.97 O ATOM 545 CB ASP A 37 11.161 -2.583 8.430 1.00 0.93 C ATOM 546 CG ASP A 37 10.995 -2.113 9.838 1.00 1.26 C ATOM 547 OD1 ASP A 37 11.987 -2.097 10.585 1.00 1.31 O ATOM 548 OD2 ASP A 37 9.868 -1.755 10.236 1.00 1.98 O ATOM 0 H ASP A 37 10.338 -0.337 7.407 1.00 0.76 H new ATOM 0 HA ASP A 37 12.938 -1.428 8.036 1.00 0.84 H new ATOM 0 HB2 ASP A 37 10.174 -2.709 7.984 1.00 0.93 H new ATOM 0 HB3 ASP A 37 11.633 -3.566 8.442 1.00 0.93 H new ATOM 553 N ILE A 38 11.239 -2.229 5.351 1.00 0.62 N ATOM 554 CA ILE A 38 11.267 -2.928 4.074 1.00 0.62 C ATOM 555 C ILE A 38 11.803 -2.066 2.924 1.00 0.63 C ATOM 556 O ILE A 38 11.620 -2.390 1.742 1.00 0.69 O ATOM 557 CB ILE A 38 9.891 -3.560 3.737 1.00 0.63 C ATOM 558 CG1 ILE A 38 8.764 -2.510 3.861 1.00 0.55 C ATOM 559 CG2 ILE A 38 9.634 -4.748 4.660 1.00 0.72 C ATOM 560 CD1 ILE A 38 7.368 -3.034 3.566 1.00 0.65 C ATOM 0 H ILE A 38 10.410 -1.653 5.496 1.00 0.62 H new ATOM 0 HA ILE A 38 11.982 -3.743 4.189 1.00 0.62 H new ATOM 0 HB ILE A 38 9.903 -3.913 2.706 1.00 0.63 H new ATOM 0 HG12 ILE A 38 8.777 -2.101 4.871 1.00 0.55 H new ATOM 0 HG13 ILE A 38 8.978 -1.686 3.181 1.00 0.55 H new ATOM 0 HG21 ILE A 38 8.667 -5.191 4.422 1.00 0.72 H new ATOM 0 HG22 ILE A 38 10.418 -5.492 4.522 1.00 0.72 H new ATOM 0 HG23 ILE A 38 9.633 -4.410 5.696 1.00 0.72 H new ATOM 0 HD11 ILE A 38 6.645 -2.226 3.679 1.00 0.65 H new ATOM 0 HD12 ILE A 38 7.331 -3.415 2.545 1.00 0.65 H new ATOM 0 HD13 ILE A 38 7.126 -3.837 4.262 1.00 0.65 H new ATOM 572 N GLY A 39 12.525 -1.023 3.298 1.00 0.66 N ATOM 573 CA GLY A 39 13.205 -0.140 2.364 1.00 0.76 C ATOM 574 C GLY A 39 12.333 0.505 1.295 1.00 0.64 C ATOM 575 O GLY A 39 12.598 0.342 0.105 1.00 0.74 O ATOM 0 H GLY A 39 12.658 -0.761 4.275 1.00 0.66 H new ATOM 0 HA2 GLY A 39 13.692 0.652 2.933 1.00 0.76 H new ATOM 0 HA3 GLY A 39 13.993 -0.707 1.868 1.00 0.76 H new ATOM 579 N TYR A 40 11.313 1.233 1.684 1.00 0.50 N ATOM 580 CA TYR A 40 10.475 1.901 0.719 1.00 0.41 C ATOM 581 C TYR A 40 10.767 3.364 0.587 1.00 0.40 C ATOM 582 O TYR A 40 10.736 4.115 1.567 1.00 0.57 O ATOM 583 CB TYR A 40 8.988 1.716 1.010 1.00 0.43 C ATOM 584 CG TYR A 40 8.414 0.426 0.512 1.00 0.41 C ATOM 585 CD1 TYR A 40 9.017 -0.780 0.830 1.00 0.67 C ATOM 586 CD2 TYR A 40 7.264 0.400 -0.246 1.00 0.65 C ATOM 587 CE1 TYR A 40 8.483 -1.966 0.394 1.00 0.99 C ATOM 588 CE2 TYR A 40 6.726 -0.777 -0.686 1.00 0.97 C ATOM 589 CZ TYR A 40 7.376 -1.946 -0.438 1.00 1.10 C ATOM 590 OH TYR A 40 6.796 -3.123 -0.810 1.00 1.52 O ATOM 0 H TYR A 40 11.045 1.377 2.658 1.00 0.50 H new ATOM 0 HA TYR A 40 10.718 1.419 -0.228 1.00 0.41 H new ATOM 0 HB2 TYR A 40 8.831 1.777 2.087 1.00 0.43 H new ATOM 0 HB3 TYR A 40 8.437 2.542 0.560 1.00 0.43 H new ATOM 0 HD1 TYR A 40 9.917 -0.787 1.427 1.00 0.67 H new ATOM 0 HD2 TYR A 40 6.777 1.330 -0.498 1.00 0.65 H new ATOM 0 HE1 TYR A 40 8.921 -2.906 0.696 1.00 0.99 H new ATOM 0 HE2 TYR A 40 5.791 -0.779 -1.227 1.00 0.97 H new ATOM 0 HH TYR A 40 7.491 -3.762 -1.072 1.00 1.52 H new ATOM 600 N ASP A 41 11.082 3.763 -0.616 1.00 0.45 N ATOM 601 CA ASP A 41 11.154 5.161 -0.955 1.00 0.57 C ATOM 602 C ASP A 41 9.727 5.643 -1.100 1.00 0.46 C ATOM 603 O ASP A 41 8.850 4.865 -1.518 1.00 0.44 O ATOM 604 CB ASP A 41 11.921 5.380 -2.271 1.00 0.78 C ATOM 605 CG ASP A 41 11.991 6.846 -2.675 1.00 1.35 C ATOM 606 OD1 ASP A 41 12.906 7.559 -2.217 1.00 1.88 O ATOM 607 OD2 ASP A 41 11.126 7.309 -3.451 1.00 2.04 O ATOM 0 H ASP A 41 11.296 3.131 -1.388 1.00 0.45 H new ATOM 0 HA ASP A 41 11.689 5.712 -0.181 1.00 0.57 H new ATOM 0 HB2 ASP A 41 12.933 4.988 -2.166 1.00 0.78 H new ATOM 0 HB3 ASP A 41 11.439 4.811 -3.066 1.00 0.78 H new ATOM 612 N SER A 42 9.476 6.869 -0.757 1.00 0.46 N ATOM 613 CA SER A 42 8.147 7.413 -0.787 1.00 0.47 C ATOM 614 C SER A 42 7.500 7.412 -2.185 1.00 0.45 C ATOM 615 O SER A 42 6.281 7.289 -2.291 1.00 0.49 O ATOM 616 CB SER A 42 8.131 8.772 -0.126 1.00 0.66 C ATOM 617 OG SER A 42 9.309 9.528 -0.539 1.00 1.03 O ATOM 0 H SER A 42 10.190 7.527 -0.446 1.00 0.46 H new ATOM 0 HA SER A 42 7.510 6.744 -0.209 1.00 0.47 H new ATOM 0 HB2 SER A 42 7.225 9.311 -0.401 1.00 0.66 H new ATOM 0 HB3 SER A 42 8.119 8.661 0.958 1.00 0.66 H new ATOM 0 HG SER A 42 9.298 10.410 -0.112 1.00 1.03 H new ATOM 622 N LEU A 43 8.302 7.488 -3.246 1.00 0.51 N ATOM 623 CA LEU A 43 7.750 7.449 -4.595 1.00 0.63 C ATOM 624 C LEU A 43 7.241 6.044 -4.860 1.00 0.56 C ATOM 625 O LEU A 43 6.135 5.870 -5.348 1.00 0.61 O ATOM 626 CB LEU A 43 8.800 7.902 -5.651 1.00 0.82 C ATOM 627 CG LEU A 43 8.327 8.137 -7.123 1.00 1.11 C ATOM 628 CD1 LEU A 43 9.403 8.874 -7.894 1.00 1.63 C ATOM 629 CD2 LEU A 43 8.022 6.829 -7.855 1.00 1.86 C ATOM 0 H LEU A 43 9.317 7.575 -3.199 1.00 0.51 H new ATOM 0 HA LEU A 43 6.921 8.151 -4.678 1.00 0.63 H new ATOM 0 HB2 LEU A 43 9.248 8.830 -5.295 1.00 0.82 H new ATOM 0 HB3 LEU A 43 9.592 7.153 -5.673 1.00 0.82 H new ATOM 0 HG LEU A 43 7.409 8.723 -7.071 1.00 1.11 H new ATOM 0 HD11 LEU A 43 9.070 9.036 -8.919 1.00 1.63 H new ATOM 0 HD12 LEU A 43 9.597 9.836 -7.419 1.00 1.63 H new ATOM 0 HD13 LEU A 43 10.318 8.281 -7.899 1.00 1.63 H new ATOM 0 HD21 LEU A 43 7.698 7.048 -8.872 1.00 1.86 H new ATOM 0 HD22 LEU A 43 8.920 6.211 -7.885 1.00 1.86 H new ATOM 0 HD23 LEU A 43 7.231 6.294 -7.330 1.00 1.86 H new ATOM 641 N ALA A 44 8.032 5.047 -4.461 1.00 0.50 N ATOM 642 CA ALA A 44 7.665 3.638 -4.627 1.00 0.48 C ATOM 643 C ALA A 44 6.406 3.333 -3.820 1.00 0.41 C ATOM 644 O ALA A 44 5.522 2.574 -4.252 1.00 0.47 O ATOM 645 CB ALA A 44 8.814 2.738 -4.187 1.00 0.51 C ATOM 0 H ALA A 44 8.939 5.190 -4.017 1.00 0.50 H new ATOM 0 HA ALA A 44 7.462 3.444 -5.680 1.00 0.48 H new ATOM 0 HB1 ALA A 44 8.528 1.694 -4.315 1.00 0.51 H new ATOM 0 HB2 ALA A 44 9.695 2.950 -4.793 1.00 0.51 H new ATOM 0 HB3 ALA A 44 9.042 2.925 -3.138 1.00 0.51 H new ATOM 651 N LEU A 45 6.309 3.953 -2.662 1.00 0.34 N ATOM 652 CA LEU A 45 5.150 3.813 -1.817 1.00 0.31 C ATOM 653 C LEU A 45 3.922 4.392 -2.527 1.00 0.32 C ATOM 654 O LEU A 45 2.872 3.748 -2.586 1.00 0.34 O ATOM 655 CB LEU A 45 5.407 4.502 -0.458 1.00 0.29 C ATOM 656 CG LEU A 45 4.345 4.348 0.648 1.00 0.33 C ATOM 657 CD1 LEU A 45 4.926 4.772 1.973 1.00 0.86 C ATOM 658 CD2 LEU A 45 3.125 5.194 0.381 1.00 0.86 C ATOM 0 H LEU A 45 7.032 4.566 -2.284 1.00 0.34 H new ATOM 0 HA LEU A 45 4.956 2.758 -1.622 1.00 0.31 H new ATOM 0 HB2 LEU A 45 6.352 4.125 -0.067 1.00 0.29 H new ATOM 0 HB3 LEU A 45 5.541 5.567 -0.645 1.00 0.29 H new ATOM 0 HG LEU A 45 4.049 3.299 0.666 1.00 0.33 H new ATOM 0 HD11 LEU A 45 4.172 4.662 2.753 1.00 0.86 H new ATOM 0 HD12 LEU A 45 5.787 4.147 2.210 1.00 0.86 H new ATOM 0 HD13 LEU A 45 5.239 5.814 1.916 1.00 0.86 H new ATOM 0 HD21 LEU A 45 2.403 5.055 1.185 1.00 0.86 H new ATOM 0 HD22 LEU A 45 3.414 6.244 0.331 1.00 0.86 H new ATOM 0 HD23 LEU A 45 2.676 4.896 -0.566 1.00 0.86 H new ATOM 670 N MET A 46 4.063 5.596 -3.080 1.00 0.35 N ATOM 671 CA MET A 46 2.944 6.245 -3.772 1.00 0.39 C ATOM 672 C MET A 46 2.558 5.482 -4.995 1.00 0.41 C ATOM 673 O MET A 46 1.390 5.348 -5.296 1.00 0.46 O ATOM 674 CB MET A 46 3.242 7.683 -4.157 1.00 0.46 C ATOM 675 CG MET A 46 3.548 8.566 -2.994 1.00 0.50 C ATOM 676 SD MET A 46 3.452 10.315 -3.428 1.00 0.85 S ATOM 677 CE MET A 46 1.714 10.449 -3.871 1.00 1.73 C ATOM 0 H MET A 46 4.927 6.138 -3.065 1.00 0.35 H new ATOM 0 HA MET A 46 2.117 6.253 -3.062 1.00 0.39 H new ATOM 0 HB2 MET A 46 4.087 7.698 -4.845 1.00 0.46 H new ATOM 0 HB3 MET A 46 2.386 8.090 -4.695 1.00 0.46 H new ATOM 0 HG2 MET A 46 2.849 8.355 -2.185 1.00 0.50 H new ATOM 0 HG3 MET A 46 4.547 8.340 -2.620 1.00 0.50 H new ATOM 0 HE1 MET A 46 1.423 11.499 -3.888 1.00 1.73 H new ATOM 0 HE2 MET A 46 1.555 10.012 -4.857 1.00 1.73 H new ATOM 0 HE3 MET A 46 1.109 9.917 -3.137 1.00 1.73 H new ATOM 687 N GLU A 47 3.556 4.973 -5.676 1.00 0.40 N ATOM 688 CA GLU A 47 3.395 4.154 -6.857 1.00 0.44 C ATOM 689 C GLU A 47 2.479 2.970 -6.528 1.00 0.42 C ATOM 690 O GLU A 47 1.547 2.665 -7.272 1.00 0.50 O ATOM 691 CB GLU A 47 4.779 3.679 -7.268 1.00 0.49 C ATOM 692 CG GLU A 47 4.862 2.931 -8.593 1.00 0.71 C ATOM 693 CD GLU A 47 4.430 3.762 -9.777 1.00 0.88 C ATOM 694 OE1 GLU A 47 5.099 4.768 -10.094 1.00 1.63 O ATOM 695 OE2 GLU A 47 3.396 3.467 -10.379 1.00 1.43 O ATOM 0 H GLU A 47 4.532 5.120 -5.418 1.00 0.40 H new ATOM 0 HA GLU A 47 2.939 4.712 -7.675 1.00 0.44 H new ATOM 0 HB2 GLU A 47 5.438 4.546 -7.321 1.00 0.49 H new ATOM 0 HB3 GLU A 47 5.167 3.031 -6.482 1.00 0.49 H new ATOM 0 HG2 GLU A 47 5.887 2.595 -8.749 1.00 0.71 H new ATOM 0 HG3 GLU A 47 4.239 2.038 -8.538 1.00 0.71 H new ATOM 702 N THR A 48 2.734 2.354 -5.386 1.00 0.38 N ATOM 703 CA THR A 48 1.926 1.268 -4.880 1.00 0.38 C ATOM 704 C THR A 48 0.512 1.769 -4.556 1.00 0.37 C ATOM 705 O THR A 48 -0.479 1.281 -5.115 1.00 0.41 O ATOM 706 CB THR A 48 2.541 0.723 -3.584 1.00 0.39 C ATOM 707 OG1 THR A 48 3.910 0.347 -3.801 1.00 0.47 O ATOM 708 CG2 THR A 48 1.748 -0.483 -3.113 1.00 0.42 C ATOM 0 H THR A 48 3.517 2.600 -4.781 1.00 0.38 H new ATOM 0 HA THR A 48 1.884 0.489 -5.641 1.00 0.38 H new ATOM 0 HB THR A 48 2.507 1.502 -2.822 1.00 0.39 H new ATOM 0 HG1 THR A 48 4.460 1.153 -3.894 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.186 -0.869 -2.192 1.00 0.42 H new ATOM 0 HG22 THR A 48 0.715 -0.189 -2.928 1.00 0.42 H new ATOM 0 HG23 THR A 48 1.774 -1.257 -3.880 1.00 0.42 H new ATOM 716 N ALA A 49 0.450 2.738 -3.646 1.00 0.35 N ATOM 717 CA ALA A 49 -0.792 3.298 -3.144 1.00 0.38 C ATOM 718 C ALA A 49 -1.716 3.754 -4.283 1.00 0.40 C ATOM 719 O ALA A 49 -2.873 3.349 -4.343 1.00 0.42 O ATOM 720 CB ALA A 49 -0.486 4.439 -2.171 1.00 0.42 C ATOM 0 H ALA A 49 1.281 3.161 -3.232 1.00 0.35 H new ATOM 0 HA ALA A 49 -1.331 2.517 -2.607 1.00 0.38 H new ATOM 0 HB1 ALA A 49 -1.420 4.858 -1.796 1.00 0.42 H new ATOM 0 HB2 ALA A 49 0.102 4.057 -1.336 1.00 0.42 H new ATOM 0 HB3 ALA A 49 0.078 5.216 -2.687 1.00 0.42 H new ATOM 726 N ALA A 50 -1.172 4.529 -5.213 1.00 0.43 N ATOM 727 CA ALA A 50 -1.932 5.035 -6.350 1.00 0.48 C ATOM 728 C ALA A 50 -2.367 3.901 -7.270 1.00 0.47 C ATOM 729 O ALA A 50 -3.455 3.939 -7.830 1.00 0.51 O ATOM 730 CB ALA A 50 -1.128 6.067 -7.128 1.00 0.58 C ATOM 0 H ALA A 50 -0.196 4.824 -5.201 1.00 0.43 H new ATOM 0 HA ALA A 50 -2.826 5.519 -5.958 1.00 0.48 H new ATOM 0 HB1 ALA A 50 -1.718 6.428 -7.970 1.00 0.58 H new ATOM 0 HB2 ALA A 50 -0.880 6.903 -6.474 1.00 0.58 H new ATOM 0 HB3 ALA A 50 -0.210 5.610 -7.497 1.00 0.58 H new ATOM 736 N ARG A 51 -1.523 2.883 -7.406 1.00 0.46 N ATOM 737 CA ARG A 51 -1.841 1.727 -8.235 1.00 0.51 C ATOM 738 C ARG A 51 -3.027 0.968 -7.668 1.00 0.49 C ATOM 739 O ARG A 51 -3.893 0.533 -8.410 1.00 0.62 O ATOM 740 CB ARG A 51 -0.608 0.831 -8.441 1.00 0.57 C ATOM 741 CG ARG A 51 -0.851 -0.486 -9.160 1.00 0.79 C ATOM 742 CD ARG A 51 0.460 -1.065 -9.676 1.00 0.80 C ATOM 743 NE ARG A 51 0.949 -0.305 -10.839 1.00 1.38 N ATOM 744 CZ ARG A 51 2.182 0.214 -11.008 1.00 1.81 C ATOM 745 NH1 ARG A 51 3.116 0.092 -10.061 1.00 1.82 N ATOM 746 NH2 ARG A 51 2.467 0.865 -12.134 1.00 2.77 N ATOM 0 H ARG A 51 -0.611 2.836 -6.951 1.00 0.46 H new ATOM 0 HA ARG A 51 -2.133 2.081 -9.224 1.00 0.51 H new ATOM 0 HB2 ARG A 51 0.137 1.396 -9.002 1.00 0.57 H new ATOM 0 HB3 ARG A 51 -0.175 0.614 -7.465 1.00 0.57 H new ATOM 0 HG2 ARG A 51 -1.326 -1.195 -8.481 1.00 0.79 H new ATOM 0 HG3 ARG A 51 -1.539 -0.331 -9.991 1.00 0.79 H new ATOM 0 HD2 ARG A 51 1.208 -1.045 -8.883 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.317 -2.109 -9.953 1.00 0.80 H new ATOM 0 HE ARG A 51 0.284 -0.155 -11.598 1.00 1.38 H new ATOM 0 HH11 ARG A 51 2.902 -0.400 -9.194 1.00 1.82 H new ATOM 0 HH12 ARG A 51 4.044 0.491 -10.205 1.00 1.82 H new ATOM 0 HH21 ARG A 51 1.756 0.967 -12.858 1.00 2.77 H new ATOM 0 HH22 ARG A 51 3.396 1.262 -12.272 1.00 2.77 H new ATOM 760 N LEU A 52 -3.085 0.857 -6.363 1.00 0.41 N ATOM 761 CA LEU A 52 -4.214 0.225 -5.706 1.00 0.40 C ATOM 762 C LEU A 52 -5.472 1.061 -5.885 1.00 0.37 C ATOM 763 O LEU A 52 -6.460 0.583 -6.444 1.00 0.41 O ATOM 764 CB LEU A 52 -3.910 -0.029 -4.232 1.00 0.39 C ATOM 765 CG LEU A 52 -2.891 -1.134 -3.966 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.516 -1.173 -2.499 1.00 0.49 C ATOM 767 CD2 LEU A 52 -3.470 -2.475 -4.394 1.00 0.56 C ATOM 0 H LEU A 52 -2.362 1.196 -5.728 1.00 0.41 H new ATOM 0 HA LEU A 52 -4.392 -0.743 -6.174 1.00 0.40 H new ATOM 0 HB2 LEU A 52 -3.545 0.897 -3.787 1.00 0.39 H new ATOM 0 HB3 LEU A 52 -4.840 -0.282 -3.723 1.00 0.39 H new ATOM 0 HG LEU A 52 -1.990 -0.928 -4.544 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.789 -1.967 -2.330 1.00 0.49 H new ATOM 0 HD12 LEU A 52 -2.082 -0.216 -2.209 1.00 0.49 H new ATOM 0 HD13 LEU A 52 -3.407 -1.364 -1.901 1.00 0.49 H new ATOM 0 HD21 LEU A 52 -2.742 -3.263 -4.204 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -4.379 -2.676 -3.827 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -3.705 -2.447 -5.458 1.00 0.56 H new ATOM 779 N GLU A 53 -5.409 2.305 -5.450 1.00 0.37 N ATOM 780 CA GLU A 53 -6.479 3.251 -5.578 1.00 0.38 C ATOM 781 C GLU A 53 -7.044 3.344 -7.020 1.00 0.40 C ATOM 782 O GLU A 53 -8.247 3.205 -7.236 1.00 0.44 O ATOM 783 CB GLU A 53 -6.012 4.617 -5.106 1.00 0.46 C ATOM 784 CG GLU A 53 -5.645 4.687 -3.637 1.00 0.64 C ATOM 785 CD GLU A 53 -6.825 4.436 -2.706 1.00 1.43 C ATOM 786 OE1 GLU A 53 -7.206 3.287 -2.542 1.00 2.19 O ATOM 787 OE2 GLU A 53 -7.375 5.416 -2.141 1.00 1.52 O ATOM 0 H GLU A 53 -4.585 2.687 -4.986 1.00 0.37 H new ATOM 0 HA GLU A 53 -7.296 2.896 -4.950 1.00 0.38 H new ATOM 0 HB2 GLU A 53 -5.146 4.915 -5.698 1.00 0.46 H new ATOM 0 HB3 GLU A 53 -6.799 5.344 -5.305 1.00 0.46 H new ATOM 0 HG2 GLU A 53 -4.866 3.954 -3.429 1.00 0.64 H new ATOM 0 HG3 GLU A 53 -5.224 5.669 -3.422 1.00 0.64 H new ATOM 794 N SER A 54 -6.181 3.536 -7.998 1.00 0.44 N ATOM 795 CA SER A 54 -6.607 3.678 -9.392 1.00 0.51 C ATOM 796 C SER A 54 -7.220 2.366 -9.929 1.00 0.51 C ATOM 797 O SER A 54 -8.054 2.374 -10.834 1.00 0.58 O ATOM 798 CB SER A 54 -5.419 4.132 -10.261 1.00 0.61 C ATOM 799 OG SER A 54 -5.809 4.425 -11.591 1.00 1.18 O ATOM 0 H SER A 54 -5.172 3.599 -7.860 1.00 0.44 H new ATOM 0 HA SER A 54 -7.385 4.440 -9.439 1.00 0.51 H new ATOM 0 HB2 SER A 54 -4.962 5.016 -9.815 1.00 0.61 H new ATOM 0 HB3 SER A 54 -4.659 3.351 -10.271 1.00 0.61 H new ATOM 0 HG SER A 54 -5.026 4.710 -12.106 1.00 1.18 H new ATOM 805 N ARG A 55 -6.838 1.254 -9.338 1.00 0.49 N ATOM 806 CA ARG A 55 -7.315 -0.048 -9.765 1.00 0.53 C ATOM 807 C ARG A 55 -8.733 -0.311 -9.230 1.00 0.54 C ATOM 808 O ARG A 55 -9.467 -1.134 -9.773 1.00 0.67 O ATOM 809 CB ARG A 55 -6.332 -1.131 -9.284 1.00 0.60 C ATOM 810 CG ARG A 55 -6.649 -2.554 -9.708 1.00 0.76 C ATOM 811 CD ARG A 55 -5.601 -3.516 -9.173 1.00 0.93 C ATOM 812 NE ARG A 55 -5.936 -4.910 -9.470 1.00 1.46 N ATOM 813 CZ ARG A 55 -5.796 -5.930 -8.610 1.00 2.05 C ATOM 814 NH1 ARG A 55 -5.176 -5.745 -7.445 1.00 2.15 N ATOM 815 NH2 ARG A 55 -6.226 -7.142 -8.945 1.00 2.93 N ATOM 0 H ARG A 55 -6.190 1.225 -8.551 1.00 0.49 H new ATOM 0 HA ARG A 55 -7.367 -0.074 -10.853 1.00 0.53 H new ATOM 0 HB2 ARG A 55 -5.337 -0.878 -9.649 1.00 0.60 H new ATOM 0 HB3 ARG A 55 -6.291 -1.098 -8.195 1.00 0.60 H new ATOM 0 HG2 ARG A 55 -7.634 -2.839 -9.339 1.00 0.76 H new ATOM 0 HG3 ARG A 55 -6.686 -2.616 -10.796 1.00 0.76 H new ATOM 0 HD2 ARG A 55 -4.631 -3.275 -9.609 1.00 0.93 H new ATOM 0 HD3 ARG A 55 -5.507 -3.387 -8.095 1.00 0.93 H new ATOM 0 HE ARG A 55 -6.302 -5.121 -10.398 1.00 1.46 H new ATOM 0 HH11 ARG A 55 -4.806 -4.825 -7.205 1.00 2.15 H new ATOM 0 HH12 ARG A 55 -5.072 -6.523 -6.794 1.00 2.15 H new ATOM 0 HH21 ARG A 55 -6.661 -7.295 -9.855 1.00 2.93 H new ATOM 0 HH22 ARG A 55 -6.121 -7.919 -8.293 1.00 2.93 H new ATOM 829 N TYR A 56 -9.120 0.402 -8.187 1.00 0.51 N ATOM 830 CA TYR A 56 -10.425 0.175 -7.571 1.00 0.59 C ATOM 831 C TYR A 56 -11.371 1.388 -7.645 1.00 0.64 C ATOM 832 O TYR A 56 -12.580 1.244 -7.462 1.00 0.81 O ATOM 833 CB TYR A 56 -10.267 -0.351 -6.135 1.00 0.66 C ATOM 834 CG TYR A 56 -9.714 -1.769 -6.079 1.00 0.71 C ATOM 835 CD1 TYR A 56 -8.346 -1.991 -6.105 1.00 0.71 C ATOM 836 CD2 TYR A 56 -10.554 -2.873 -5.966 1.00 0.89 C ATOM 837 CE1 TYR A 56 -7.829 -3.264 -6.026 1.00 0.82 C ATOM 838 CE2 TYR A 56 -10.042 -4.153 -5.875 1.00 0.99 C ATOM 839 CZ TYR A 56 -8.730 -4.371 -6.044 1.00 0.95 C ATOM 840 OH TYR A 56 -8.148 -5.618 -5.796 1.00 1.09 O ATOM 0 H TYR A 56 -8.561 1.135 -7.750 1.00 0.51 H new ATOM 0 HA TYR A 56 -10.915 -0.596 -8.166 1.00 0.59 H new ATOM 0 HB2 TYR A 56 -9.604 0.314 -5.581 1.00 0.66 H new ATOM 0 HB3 TYR A 56 -11.235 -0.324 -5.635 1.00 0.66 H new ATOM 0 HD1 TYR A 56 -7.674 -1.150 -6.189 1.00 0.71 H new ATOM 0 HD2 TYR A 56 -11.624 -2.727 -5.949 1.00 0.89 H new ATOM 0 HE1 TYR A 56 -6.763 -3.422 -5.952 1.00 0.82 H new ATOM 0 HE2 TYR A 56 -10.702 -4.982 -5.667 1.00 0.99 H new ATOM 0 HH TYR A 56 -7.473 -5.530 -5.091 1.00 1.09 H new ATOM 850 N GLY A 57 -10.839 2.558 -7.939 1.00 0.59 N ATOM 851 CA GLY A 57 -11.673 3.753 -8.047 1.00 0.67 C ATOM 852 C GLY A 57 -11.625 4.567 -6.776 1.00 0.66 C ATOM 853 O GLY A 57 -12.654 4.975 -6.235 1.00 0.88 O ATOM 0 H GLY A 57 -9.845 2.713 -8.107 1.00 0.59 H new ATOM 0 HA2 GLY A 57 -11.334 4.362 -8.885 1.00 0.67 H new ATOM 0 HA3 GLY A 57 -12.702 3.464 -8.258 1.00 0.67 H new ATOM 857 N VAL A 58 -10.422 4.777 -6.307 1.00 0.49 N ATOM 858 CA VAL A 58 -10.116 5.460 -5.064 1.00 0.47 C ATOM 859 C VAL A 58 -8.883 6.373 -5.203 1.00 0.44 C ATOM 860 O VAL A 58 -8.296 6.443 -6.298 1.00 0.46 O ATOM 861 CB VAL A 58 -9.987 4.478 -3.875 1.00 0.51 C ATOM 862 CG1 VAL A 58 -11.283 4.405 -3.185 1.00 0.68 C ATOM 863 CG2 VAL A 58 -9.678 3.072 -4.361 1.00 0.64 C ATOM 0 H VAL A 58 -9.586 4.464 -6.800 1.00 0.49 H new ATOM 0 HA VAL A 58 -10.964 6.106 -4.839 1.00 0.47 H new ATOM 0 HB VAL A 58 -9.188 4.835 -3.226 1.00 0.51 H new ATOM 0 HG11 VAL A 58 -11.209 3.716 -2.343 1.00 0.68 H new ATOM 0 HG12 VAL A 58 -11.557 5.395 -2.821 1.00 0.68 H new ATOM 0 HG13 VAL A 58 -12.045 4.050 -3.879 1.00 0.68 H new ATOM 0 HG21 VAL A 58 -9.592 2.402 -3.506 1.00 0.64 H new ATOM 0 HG22 VAL A 58 -10.481 2.728 -5.013 1.00 0.64 H new ATOM 0 HG23 VAL A 58 -8.739 3.076 -4.914 1.00 0.64 H new ATOM 873 N SER A 59 -8.501 7.106 -4.145 1.00 0.46 N ATOM 874 CA SER A 59 -7.368 8.059 -4.214 1.00 0.54 C ATOM 875 C SER A 59 -6.712 8.326 -2.819 1.00 0.51 C ATOM 876 O SER A 59 -7.375 8.835 -1.902 1.00 0.66 O ATOM 877 CB SER A 59 -7.851 9.399 -4.803 1.00 0.73 C ATOM 878 OG SER A 59 -8.451 9.215 -6.080 1.00 1.33 O ATOM 0 H SER A 59 -8.954 7.062 -3.232 1.00 0.46 H new ATOM 0 HA SER A 59 -6.612 7.603 -4.853 1.00 0.54 H new ATOM 0 HB2 SER A 59 -8.569 9.860 -4.124 1.00 0.73 H new ATOM 0 HB3 SER A 59 -7.009 10.085 -4.890 1.00 0.73 H new ATOM 0 HG SER A 59 -8.749 10.081 -6.429 1.00 1.33 H new ATOM 884 N ILE A 60 -5.423 7.978 -2.676 1.00 0.47 N ATOM 885 CA ILE A 60 -4.651 8.294 -1.462 1.00 0.44 C ATOM 886 C ILE A 60 -3.909 9.611 -1.701 1.00 0.35 C ATOM 887 O ILE A 60 -3.119 9.710 -2.645 1.00 0.37 O ATOM 888 CB ILE A 60 -3.594 7.168 -1.085 1.00 0.52 C ATOM 889 CG1 ILE A 60 -4.279 5.846 -0.714 1.00 0.73 C ATOM 890 CG2 ILE A 60 -2.657 7.610 0.055 1.00 0.50 C ATOM 891 CD1 ILE A 60 -5.195 5.932 0.481 1.00 0.61 C ATOM 0 H ILE A 60 -4.892 7.476 -3.388 1.00 0.47 H new ATOM 0 HA ILE A 60 -5.352 8.364 -0.630 1.00 0.44 H new ATOM 0 HB ILE A 60 -2.991 7.008 -1.978 1.00 0.52 H new ATOM 0 HG12 ILE A 60 -4.853 5.495 -1.572 1.00 0.73 H new ATOM 0 HG13 ILE A 60 -3.512 5.097 -0.516 1.00 0.73 H new ATOM 0 HG21 ILE A 60 -1.952 6.809 0.278 1.00 0.50 H new ATOM 0 HG22 ILE A 60 -2.109 8.501 -0.250 1.00 0.50 H new ATOM 0 HG23 ILE A 60 -3.246 7.833 0.944 1.00 0.50 H new ATOM 0 HD11 ILE A 60 -5.636 4.954 0.672 1.00 0.61 H new ATOM 0 HD12 ILE A 60 -4.625 6.250 1.354 1.00 0.61 H new ATOM 0 HD13 ILE A 60 -5.987 6.654 0.281 1.00 0.61 H new ATOM 903 N PRO A 61 -4.180 10.645 -0.892 1.00 0.38 N ATOM 904 CA PRO A 61 -3.520 11.949 -1.023 1.00 0.40 C ATOM 905 C PRO A 61 -1.994 11.868 -0.830 1.00 0.34 C ATOM 906 O PRO A 61 -1.493 11.051 -0.046 1.00 0.30 O ATOM 907 CB PRO A 61 -4.164 12.797 0.077 1.00 0.52 C ATOM 908 CG PRO A 61 -5.445 12.106 0.382 1.00 0.57 C ATOM 909 CD PRO A 61 -5.171 10.645 0.197 1.00 0.50 C ATOM 0 HA PRO A 61 -3.649 12.364 -2.023 1.00 0.40 H new ATOM 0 HB2 PRO A 61 -3.525 12.855 0.958 1.00 0.52 H new ATOM 0 HB3 PRO A 61 -4.335 13.819 -0.260 1.00 0.52 H new ATOM 0 HG2 PRO A 61 -5.771 12.317 1.400 1.00 0.57 H new ATOM 0 HG3 PRO A 61 -6.240 12.443 -0.284 1.00 0.57 H new ATOM 0 HD2 PRO A 61 -4.777 10.187 1.105 1.00 0.50 H new ATOM 0 HD3 PRO A 61 -6.072 10.094 -0.073 1.00 0.50 H new ATOM 917 N ASP A 62 -1.293 12.732 -1.539 1.00 0.43 N ATOM 918 CA ASP A 62 0.180 12.796 -1.583 1.00 0.48 C ATOM 919 C ASP A 62 0.861 12.844 -0.217 1.00 0.43 C ATOM 920 O ASP A 62 1.702 11.984 0.075 1.00 0.47 O ATOM 921 CB ASP A 62 0.678 13.926 -2.520 1.00 0.71 C ATOM 922 CG ASP A 62 0.034 15.276 -2.262 1.00 1.29 C ATOM 923 OD1 ASP A 62 -1.080 15.525 -2.788 1.00 1.64 O ATOM 924 OD2 ASP A 62 0.606 16.112 -1.564 1.00 2.10 O ATOM 0 H ASP A 62 -1.736 13.439 -2.125 1.00 0.43 H new ATOM 0 HA ASP A 62 0.488 11.841 -2.009 1.00 0.48 H new ATOM 0 HB2 ASP A 62 1.758 14.024 -2.410 1.00 0.71 H new ATOM 0 HB3 ASP A 62 0.487 13.636 -3.553 1.00 0.71 H new ATOM 929 N ASP A 63 0.468 13.783 0.642 1.00 0.46 N ATOM 930 CA ASP A 63 1.093 13.903 1.975 1.00 0.55 C ATOM 931 C ASP A 63 0.771 12.703 2.832 1.00 0.46 C ATOM 932 O ASP A 63 1.575 12.280 3.635 1.00 0.52 O ATOM 933 CB ASP A 63 0.671 15.188 2.704 1.00 0.78 C ATOM 934 CG ASP A 63 1.247 15.275 4.118 1.00 1.38 C ATOM 935 OD1 ASP A 63 2.458 15.577 4.271 1.00 1.57 O ATOM 936 OD2 ASP A 63 0.492 15.061 5.101 1.00 2.18 O ATOM 0 H ASP A 63 -0.266 14.465 0.452 1.00 0.46 H new ATOM 0 HA ASP A 63 2.169 13.950 1.810 1.00 0.55 H new ATOM 0 HB2 ASP A 63 0.999 16.053 2.128 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -0.417 15.232 2.755 1.00 0.78 H new ATOM 941 N VAL A 64 -0.401 12.143 2.613 1.00 0.42 N ATOM 942 CA VAL A 64 -0.869 10.983 3.359 1.00 0.43 C ATOM 943 C VAL A 64 -0.053 9.753 2.959 1.00 0.38 C ATOM 944 O VAL A 64 0.356 8.951 3.811 1.00 0.47 O ATOM 945 CB VAL A 64 -2.370 10.729 3.077 1.00 0.51 C ATOM 946 CG1 VAL A 64 -2.887 9.537 3.871 1.00 0.60 C ATOM 947 CG2 VAL A 64 -3.189 11.968 3.402 1.00 0.58 C ATOM 0 H VAL A 64 -1.061 12.477 1.911 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.741 11.175 4.424 1.00 0.43 H new ATOM 0 HB VAL A 64 -2.476 10.502 2.016 1.00 0.51 H new ATOM 0 HG11 VAL A 64 -3.944 9.384 3.651 1.00 0.60 H new ATOM 0 HG12 VAL A 64 -2.326 8.644 3.594 1.00 0.60 H new ATOM 0 HG13 VAL A 64 -2.762 9.728 4.937 1.00 0.60 H new ATOM 0 HG21 VAL A 64 -4.242 11.772 3.198 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -3.064 12.221 4.455 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -2.849 12.801 2.786 1.00 0.58 H new ATOM 957 N ALA A 65 0.158 9.598 1.662 1.00 0.31 N ATOM 958 CA ALA A 65 0.965 8.515 1.149 1.00 0.35 C ATOM 959 C ALA A 65 2.391 8.657 1.667 1.00 0.43 C ATOM 960 O ALA A 65 2.953 7.725 2.230 1.00 0.53 O ATOM 961 CB ALA A 65 0.945 8.497 -0.368 1.00 0.40 C ATOM 0 H ALA A 65 -0.223 10.215 0.945 1.00 0.31 H new ATOM 0 HA ALA A 65 0.550 7.569 1.496 1.00 0.35 H new ATOM 0 HB1 ALA A 65 1.560 7.673 -0.730 1.00 0.40 H new ATOM 0 HB2 ALA A 65 -0.079 8.366 -0.717 1.00 0.40 H new ATOM 0 HB3 ALA A 65 1.340 9.439 -0.748 1.00 0.40 H new ATOM 967 N GLY A 66 2.950 9.848 1.538 1.00 0.48 N ATOM 968 CA GLY A 66 4.276 10.111 2.074 1.00 0.61 C ATOM 969 C GLY A 66 4.210 10.398 3.567 1.00 0.63 C ATOM 970 O GLY A 66 4.738 11.409 4.048 1.00 0.88 O ATOM 0 H GLY A 66 2.512 10.642 1.071 1.00 0.48 H new ATOM 0 HA2 GLY A 66 4.923 9.253 1.893 1.00 0.61 H new ATOM 0 HA3 GLY A 66 4.721 10.960 1.555 1.00 0.61 H new ATOM 974 N ARG A 67 3.544 9.508 4.277 1.00 0.56 N ATOM 975 CA ARG A 67 3.310 9.604 5.694 1.00 0.63 C ATOM 976 C ARG A 67 3.151 8.216 6.275 1.00 0.51 C ATOM 977 O ARG A 67 3.834 7.883 7.237 1.00 0.69 O ATOM 978 CB ARG A 67 2.050 10.422 5.967 1.00 0.84 C ATOM 979 CG ARG A 67 1.624 10.461 7.410 1.00 1.49 C ATOM 980 CD ARG A 67 0.352 11.254 7.578 1.00 2.24 C ATOM 981 NE ARG A 67 -0.092 11.259 8.967 1.00 2.85 N ATOM 982 CZ ARG A 67 -1.349 11.473 9.374 1.00 3.81 C ATOM 983 NH1 ARG A 67 -2.282 11.840 8.504 1.00 4.32 N ATOM 984 NH2 ARG A 67 -1.652 11.353 10.657 1.00 4.63 N ATOM 0 H ARG A 67 3.138 8.669 3.862 1.00 0.56 H new ATOM 0 HA ARG A 67 4.160 10.101 6.161 1.00 0.63 H new ATOM 0 HB2 ARG A 67 2.215 11.443 5.624 1.00 0.84 H new ATOM 0 HB3 ARG A 67 1.233 10.014 5.372 1.00 0.84 H new ATOM 0 HG2 ARG A 67 1.474 9.445 7.776 1.00 1.49 H new ATOM 0 HG3 ARG A 67 2.415 10.904 8.014 1.00 1.49 H new ATOM 0 HD2 ARG A 67 0.513 12.278 7.242 1.00 2.24 H new ATOM 0 HD3 ARG A 67 -0.429 10.830 6.946 1.00 2.24 H new ATOM 0 HE ARG A 67 0.611 11.086 9.685 1.00 2.85 H new ATOM 0 HH11 ARG A 67 -2.043 11.960 7.520 1.00 4.32 H new ATOM 0 HH12 ARG A 67 -3.238 12.002 8.820 1.00 4.32 H new ATOM 0 HH21 ARG A 67 -0.929 11.099 11.330 1.00 4.63 H new ATOM 0 HH22 ARG A 67 -2.608 11.515 10.972 1.00 4.63 H new ATOM 998 N VAL A 68 2.232 7.419 5.679 1.00 0.39 N ATOM 999 CA VAL A 68 1.942 6.041 6.133 1.00 0.37 C ATOM 1000 C VAL A 68 3.214 5.248 6.395 1.00 0.38 C ATOM 1001 O VAL A 68 4.108 5.158 5.546 1.00 0.58 O ATOM 1002 CB VAL A 68 0.987 5.275 5.162 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -0.384 5.897 5.216 1.00 0.50 C ATOM 1004 CG2 VAL A 68 1.494 5.266 3.718 1.00 0.42 C ATOM 0 H VAL A 68 1.675 7.712 4.876 1.00 0.39 H new ATOM 0 HA VAL A 68 1.414 6.141 7.081 1.00 0.37 H new ATOM 0 HB VAL A 68 0.950 4.237 5.493 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.052 5.364 4.539 1.00 0.50 H new ATOM 0 HG12 VAL A 68 -0.772 5.835 6.233 1.00 0.50 H new ATOM 0 HG13 VAL A 68 -0.321 6.943 4.915 1.00 0.50 H new ATOM 0 HG21 VAL A 68 0.791 4.720 3.089 1.00 0.42 H new ATOM 0 HG22 VAL A 68 1.584 6.291 3.357 1.00 0.42 H new ATOM 0 HG23 VAL A 68 2.469 4.781 3.678 1.00 0.42 H new ATOM 1014 N ASP A 69 3.332 4.754 7.604 1.00 0.43 N ATOM 1015 CA ASP A 69 4.545 4.093 8.036 1.00 0.52 C ATOM 1016 C ASP A 69 4.425 2.621 7.912 1.00 0.35 C ATOM 1017 O ASP A 69 5.354 1.952 7.525 1.00 0.33 O ATOM 1018 CB ASP A 69 4.918 4.465 9.475 1.00 0.81 C ATOM 1019 CG ASP A 69 5.179 5.937 9.659 1.00 1.27 C ATOM 1020 OD1 ASP A 69 6.224 6.441 9.165 1.00 1.49 O ATOM 1021 OD2 ASP A 69 4.358 6.627 10.297 1.00 2.03 O ATOM 0 H ASP A 69 2.599 4.797 8.312 1.00 0.43 H new ATOM 0 HA ASP A 69 5.342 4.440 7.379 1.00 0.52 H new ATOM 0 HB2 ASP A 69 4.113 4.159 10.143 1.00 0.81 H new ATOM 0 HB3 ASP A 69 5.806 3.906 9.769 1.00 0.81 H new ATOM 1026 N THR A 70 3.294 2.115 8.229 1.00 0.32 N ATOM 1027 CA THR A 70 3.076 0.709 8.150 1.00 0.27 C ATOM 1028 C THR A 70 2.129 0.391 6.984 1.00 0.25 C ATOM 1029 O THR A 70 1.164 1.123 6.755 1.00 0.28 O ATOM 1030 CB THR A 70 2.513 0.174 9.493 1.00 0.35 C ATOM 1031 OG1 THR A 70 1.336 0.909 9.857 1.00 0.46 O ATOM 1032 CG2 THR A 70 3.533 0.318 10.608 1.00 0.41 C ATOM 0 H THR A 70 2.491 2.655 8.550 1.00 0.32 H new ATOM 0 HA THR A 70 4.027 0.209 7.964 1.00 0.27 H new ATOM 0 HB THR A 70 2.275 -0.881 9.357 1.00 0.35 H new ATOM 0 HG1 THR A 70 1.537 1.868 9.858 1.00 0.46 H new ATOM 0 HG21 THR A 70 3.112 -0.065 11.538 1.00 0.41 H new ATOM 0 HG22 THR A 70 4.430 -0.248 10.356 1.00 0.41 H new ATOM 0 HG23 THR A 70 3.790 1.370 10.732 1.00 0.41 H new ATOM 1040 N PRO A 71 2.415 -0.665 6.184 1.00 0.26 N ATOM 1041 CA PRO A 71 1.536 -1.107 5.077 1.00 0.27 C ATOM 1042 C PRO A 71 0.101 -1.380 5.527 1.00 0.25 C ATOM 1043 O PRO A 71 -0.837 -1.326 4.719 1.00 0.27 O ATOM 1044 CB PRO A 71 2.196 -2.393 4.602 1.00 0.33 C ATOM 1045 CG PRO A 71 3.632 -2.171 4.896 1.00 0.37 C ATOM 1046 CD PRO A 71 3.654 -1.466 6.225 1.00 0.31 C ATOM 0 HA PRO A 71 1.443 -0.341 4.307 1.00 0.27 H new ATOM 0 HB2 PRO A 71 1.807 -3.263 5.131 1.00 0.33 H new ATOM 0 HB3 PRO A 71 2.025 -2.564 3.539 1.00 0.33 H new ATOM 0 HG2 PRO A 71 4.176 -3.115 4.941 1.00 0.37 H new ATOM 0 HG3 PRO A 71 4.105 -1.567 4.121 1.00 0.37 H new ATOM 0 HD2 PRO A 71 3.655 -2.170 7.057 1.00 0.31 H new ATOM 0 HD3 PRO A 71 4.539 -0.839 6.337 1.00 0.31 H new ATOM 1054 N ARG A 72 -0.075 -1.654 6.820 1.00 0.24 N ATOM 1055 CA ARG A 72 -1.402 -1.851 7.365 1.00 0.28 C ATOM 1056 C ARG A 72 -2.202 -0.552 7.270 1.00 0.27 C ATOM 1057 O ARG A 72 -3.373 -0.580 6.992 1.00 0.34 O ATOM 1058 CB ARG A 72 -1.373 -2.351 8.814 1.00 0.39 C ATOM 1059 CG ARG A 72 -0.640 -1.460 9.781 1.00 0.80 C ATOM 1060 CD ARG A 72 -0.771 -1.953 11.199 1.00 1.03 C ATOM 1061 NE ARG A 72 -2.159 -1.885 11.671 1.00 1.35 N ATOM 1062 CZ ARG A 72 -2.530 -2.016 12.939 1.00 2.07 C ATOM 1063 NH1 ARG A 72 -1.657 -2.444 13.845 1.00 2.71 N ATOM 1064 NH2 ARG A 72 -3.788 -1.767 13.288 1.00 2.59 N ATOM 0 H ARG A 72 0.682 -1.742 7.497 1.00 0.24 H new ATOM 0 HA ARG A 72 -1.886 -2.626 6.770 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -2.399 -2.472 9.161 1.00 0.39 H new ATOM 0 HB3 ARG A 72 -0.912 -3.339 8.832 1.00 0.39 H new ATOM 0 HG2 ARG A 72 0.414 -1.414 9.507 1.00 0.80 H new ATOM 0 HG3 ARG A 72 -1.032 -0.445 9.710 1.00 0.80 H new ATOM 0 HD2 ARG A 72 -0.415 -2.982 11.261 1.00 1.03 H new ATOM 0 HD3 ARG A 72 -0.135 -1.356 11.852 1.00 1.03 H new ATOM 0 HE ARG A 72 -2.889 -1.726 10.977 1.00 1.35 H new ATOM 0 HH11 ARG A 72 -0.703 -2.672 13.566 1.00 2.71 H new ATOM 0 HH12 ARG A 72 -1.941 -2.545 14.819 1.00 2.71 H new ATOM 0 HH21 ARG A 72 -4.465 -1.476 12.583 1.00 2.59 H new ATOM 0 HH22 ARG A 72 -4.077 -1.867 14.261 1.00 2.59 H new ATOM 1078 N GLU A 73 -1.516 0.594 7.451 1.00 0.24 N ATOM 1079 CA GLU A 73 -2.135 1.917 7.356 1.00 0.28 C ATOM 1080 C GLU A 73 -2.620 2.157 5.953 1.00 0.25 C ATOM 1081 O GLU A 73 -3.673 2.717 5.754 1.00 0.26 O ATOM 1082 CB GLU A 73 -1.146 3.020 7.721 1.00 0.34 C ATOM 1083 CG GLU A 73 -0.752 3.078 9.168 1.00 0.46 C ATOM 1084 CD GLU A 73 0.329 4.093 9.394 1.00 1.12 C ATOM 1085 OE1 GLU A 73 0.048 5.306 9.385 1.00 1.36 O ATOM 1086 OE2 GLU A 73 1.507 3.697 9.556 1.00 1.97 O ATOM 0 H GLU A 73 -0.519 0.621 7.666 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.969 1.941 8.057 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.245 2.890 7.122 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.579 3.980 7.441 1.00 0.34 H new ATOM 0 HG2 GLU A 73 -1.622 3.328 9.775 1.00 0.46 H new ATOM 0 HG3 GLU A 73 -0.407 2.097 9.494 1.00 0.46 H new ATOM 1093 N LEU A 74 -1.848 1.692 4.986 1.00 0.24 N ATOM 1094 CA LEU A 74 -2.187 1.848 3.582 1.00 0.25 C ATOM 1095 C LEU A 74 -3.503 1.084 3.323 1.00 0.25 C ATOM 1096 O LEU A 74 -4.446 1.619 2.741 1.00 0.26 O ATOM 1097 CB LEU A 74 -1.006 1.326 2.713 1.00 0.28 C ATOM 1098 CG LEU A 74 -0.947 1.737 1.219 1.00 0.35 C ATOM 1099 CD1 LEU A 74 0.398 1.347 0.628 1.00 0.93 C ATOM 1100 CD2 LEU A 74 -2.051 1.088 0.408 1.00 0.88 C ATOM 0 H LEU A 74 -0.971 1.197 5.151 1.00 0.24 H new ATOM 0 HA LEU A 74 -2.343 2.893 3.314 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -0.079 1.653 3.183 1.00 0.28 H new ATOM 0 HB3 LEU A 74 -1.019 0.237 2.757 1.00 0.28 H new ATOM 0 HG LEU A 74 -1.082 2.818 1.174 1.00 0.35 H new ATOM 0 HD11 LEU A 74 0.433 1.639 -0.422 1.00 0.93 H new ATOM 0 HD12 LEU A 74 1.195 1.854 1.172 1.00 0.93 H new ATOM 0 HD13 LEU A 74 0.532 0.268 0.709 1.00 0.93 H new ATOM 0 HD21 LEU A 74 -1.972 1.403 -0.632 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -1.956 0.004 0.467 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -3.020 1.389 0.806 1.00 0.88 H new ATOM 1112 N LEU A 75 -3.575 -0.133 3.845 1.00 0.26 N ATOM 1113 CA LEU A 75 -4.773 -0.957 3.737 1.00 0.29 C ATOM 1114 C LEU A 75 -5.927 -0.356 4.551 1.00 0.29 C ATOM 1115 O LEU A 75 -7.087 -0.451 4.163 1.00 0.33 O ATOM 1116 CB LEU A 75 -4.477 -2.396 4.203 1.00 0.34 C ATOM 1117 CG LEU A 75 -5.679 -3.352 4.303 1.00 0.40 C ATOM 1118 CD1 LEU A 75 -6.408 -3.475 2.974 1.00 0.50 C ATOM 1119 CD2 LEU A 75 -5.228 -4.718 4.790 1.00 0.45 C ATOM 0 H LEU A 75 -2.809 -0.576 4.353 1.00 0.26 H new ATOM 0 HA LEU A 75 -5.075 -0.984 2.690 1.00 0.29 H new ATOM 0 HB2 LEU A 75 -3.751 -2.833 3.517 1.00 0.34 H new ATOM 0 HB3 LEU A 75 -4.000 -2.345 5.182 1.00 0.34 H new ATOM 0 HG LEU A 75 -6.379 -2.932 5.026 1.00 0.40 H new ATOM 0 HD11 LEU A 75 -7.251 -4.158 3.083 1.00 0.50 H new ATOM 0 HD12 LEU A 75 -6.773 -2.495 2.667 1.00 0.50 H new ATOM 0 HD13 LEU A 75 -5.724 -3.861 2.218 1.00 0.50 H new ATOM 0 HD21 LEU A 75 -6.089 -5.383 4.856 1.00 0.45 H new ATOM 0 HD22 LEU A 75 -4.502 -5.132 4.090 1.00 0.45 H new ATOM 0 HD23 LEU A 75 -4.769 -4.620 5.774 1.00 0.45 H new ATOM 1131 N ASP A 76 -5.586 0.262 5.654 1.00 0.28 N ATOM 1132 CA ASP A 76 -6.536 0.889 6.571 1.00 0.32 C ATOM 1133 C ASP A 76 -7.182 2.088 5.899 1.00 0.29 C ATOM 1134 O ASP A 76 -8.400 2.259 5.942 1.00 0.33 O ATOM 1135 CB ASP A 76 -5.795 1.318 7.840 1.00 0.37 C ATOM 1136 CG ASP A 76 -6.677 1.907 8.904 1.00 0.47 C ATOM 1137 OD1 ASP A 76 -7.175 1.148 9.764 1.00 0.60 O ATOM 1138 OD2 ASP A 76 -6.840 3.138 8.950 1.00 0.54 O ATOM 0 H ASP A 76 -4.616 0.351 5.957 1.00 0.28 H new ATOM 0 HA ASP A 76 -7.320 0.180 6.837 1.00 0.32 H new ATOM 0 HB2 ASP A 76 -5.276 0.453 8.253 1.00 0.37 H new ATOM 0 HB3 ASP A 76 -5.032 2.049 7.571 1.00 0.37 H new ATOM 1143 N LEU A 77 -6.353 2.888 5.243 1.00 0.24 N ATOM 1144 CA LEU A 77 -6.807 4.038 4.476 1.00 0.24 C ATOM 1145 C LEU A 77 -7.786 3.594 3.408 1.00 0.24 C ATOM 1146 O LEU A 77 -8.929 4.081 3.344 1.00 0.28 O ATOM 1147 CB LEU A 77 -5.632 4.726 3.783 1.00 0.27 C ATOM 1148 CG LEU A 77 -4.556 5.359 4.652 1.00 0.33 C ATOM 1149 CD1 LEU A 77 -3.495 5.985 3.768 1.00 0.43 C ATOM 1150 CD2 LEU A 77 -5.154 6.394 5.585 1.00 0.44 C ATOM 0 H LEU A 77 -5.342 2.756 5.228 1.00 0.24 H new ATOM 0 HA LEU A 77 -7.284 4.732 5.168 1.00 0.24 H new ATOM 0 HB2 LEU A 77 -5.150 3.992 3.138 1.00 0.27 H new ATOM 0 HB3 LEU A 77 -6.036 5.503 3.135 1.00 0.27 H new ATOM 0 HG LEU A 77 -4.098 4.584 5.267 1.00 0.33 H new ATOM 0 HD11 LEU A 77 -2.724 6.439 4.391 1.00 0.43 H new ATOM 0 HD12 LEU A 77 -3.047 5.217 3.138 1.00 0.43 H new ATOM 0 HD13 LEU A 77 -3.950 6.750 3.139 1.00 0.43 H new ATOM 0 HD21 LEU A 77 -4.365 6.832 6.196 1.00 0.44 H new ATOM 0 HD22 LEU A 77 -5.636 7.176 4.999 1.00 0.44 H new ATOM 0 HD23 LEU A 77 -5.891 5.918 6.232 1.00 0.44 H new ATOM 1162 N ILE A 78 -7.350 2.637 2.598 1.00 0.23 N ATOM 1163 CA ILE A 78 -8.152 2.117 1.504 1.00 0.25 C ATOM 1164 C ILE A 78 -9.398 1.393 2.027 1.00 0.29 C ATOM 1165 O ILE A 78 -10.412 1.323 1.360 1.00 0.32 O ATOM 1166 CB ILE A 78 -7.333 1.188 0.572 1.00 0.27 C ATOM 1167 CG1 ILE A 78 -6.104 1.930 0.040 1.00 0.28 C ATOM 1168 CG2 ILE A 78 -8.183 0.677 -0.589 1.00 0.41 C ATOM 1169 CD1 ILE A 78 -5.343 1.164 -1.014 1.00 0.32 C ATOM 0 H ILE A 78 -6.431 2.202 2.683 1.00 0.23 H new ATOM 0 HA ILE A 78 -8.473 2.974 0.912 1.00 0.25 H new ATOM 0 HB ILE A 78 -7.008 0.326 1.155 1.00 0.27 H new ATOM 0 HG12 ILE A 78 -6.420 2.887 -0.376 1.00 0.28 H new ATOM 0 HG13 ILE A 78 -5.435 2.149 0.872 1.00 0.28 H new ATOM 0 HG21 ILE A 78 -7.579 0.028 -1.224 1.00 0.41 H new ATOM 0 HG22 ILE A 78 -9.032 0.115 -0.199 1.00 0.41 H new ATOM 0 HG23 ILE A 78 -8.545 1.522 -1.174 1.00 0.41 H new ATOM 0 HD11 ILE A 78 -4.486 1.752 -1.343 1.00 0.32 H new ATOM 0 HD12 ILE A 78 -4.996 0.219 -0.597 1.00 0.32 H new ATOM 0 HD13 ILE A 78 -5.996 0.968 -1.864 1.00 0.32 H new ATOM 1181 N ASN A 79 -9.332 0.914 3.246 1.00 0.33 N ATOM 1182 CA ASN A 79 -10.479 0.261 3.880 1.00 0.41 C ATOM 1183 C ASN A 79 -11.617 1.243 4.050 1.00 0.41 C ATOM 1184 O ASN A 79 -12.782 0.890 3.897 1.00 0.53 O ATOM 1185 CB ASN A 79 -10.097 -0.357 5.224 1.00 0.53 C ATOM 1186 CG ASN A 79 -10.169 -1.867 5.204 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -11.185 -2.452 5.553 1.00 1.20 O ATOM 1188 ND2 ASN A 79 -9.106 -2.507 4.777 1.00 0.71 N ATOM 0 H ASN A 79 -8.497 0.959 3.830 1.00 0.33 H new ATOM 0 HA ASN A 79 -10.808 -0.547 3.226 1.00 0.41 H new ATOM 0 HB2 ASN A 79 -9.086 -0.047 5.489 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.761 0.026 5.999 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -9.110 -3.526 4.728 1.00 0.71 H new ATOM 0 HD22 ASN A 79 -8.276 -1.986 4.494 1.00 0.71 H new ATOM 1195 N GLY A 80 -11.273 2.483 4.343 1.00 0.39 N ATOM 1196 CA GLY A 80 -12.270 3.518 4.450 1.00 0.45 C ATOM 1197 C GLY A 80 -12.607 4.090 3.088 1.00 0.43 C ATOM 1198 O GLY A 80 -13.716 4.554 2.849 1.00 0.55 O ATOM 0 H GLY A 80 -10.315 2.792 4.509 1.00 0.39 H new ATOM 0 HA2 GLY A 80 -13.171 3.114 4.912 1.00 0.45 H new ATOM 0 HA3 GLY A 80 -11.906 4.312 5.102 1.00 0.45 H new ATOM 1202 N ALA A 81 -11.658 4.007 2.184 1.00 0.34 N ATOM 1203 CA ALA A 81 -11.810 4.518 0.840 1.00 0.36 C ATOM 1204 C ALA A 81 -12.784 3.649 0.061 1.00 0.34 C ATOM 1205 O ALA A 81 -13.758 4.142 -0.526 1.00 0.42 O ATOM 1206 CB ALA A 81 -10.455 4.556 0.153 1.00 0.38 C ATOM 0 H ALA A 81 -10.750 3.579 2.362 1.00 0.34 H new ATOM 0 HA ALA A 81 -12.211 5.531 0.879 1.00 0.36 H new ATOM 0 HB1 ALA A 81 -10.571 4.941 -0.860 1.00 0.38 H new ATOM 0 HB2 ALA A 81 -9.781 5.205 0.713 1.00 0.38 H new ATOM 0 HB3 ALA A 81 -10.039 3.549 0.113 1.00 0.38 H new ATOM 1212 N LEU A 82 -12.552 2.354 0.118 1.00 0.29 N ATOM 1213 CA LEU A 82 -13.365 1.362 -0.554 1.00 0.31 C ATOM 1214 C LEU A 82 -14.695 1.145 0.143 1.00 0.40 C ATOM 1215 O LEU A 82 -15.553 0.444 -0.361 1.00 0.53 O ATOM 1216 CB LEU A 82 -12.610 0.036 -0.715 1.00 0.33 C ATOM 1217 CG LEU A 82 -11.445 0.033 -1.718 1.00 0.36 C ATOM 1218 CD1 LEU A 82 -10.819 -1.348 -1.805 1.00 0.47 C ATOM 1219 CD2 LEU A 82 -11.933 0.476 -3.086 1.00 0.41 C ATOM 0 H LEU A 82 -11.776 1.953 0.644 1.00 0.29 H new ATOM 0 HA LEU A 82 -13.580 1.753 -1.548 1.00 0.31 H new ATOM 0 HB2 LEU A 82 -12.222 -0.258 0.261 1.00 0.33 H new ATOM 0 HB3 LEU A 82 -13.324 -0.730 -1.018 1.00 0.33 H new ATOM 0 HG LEU A 82 -10.686 0.734 -1.370 1.00 0.36 H new ATOM 0 HD11 LEU A 82 -9.996 -1.330 -2.520 1.00 0.47 H new ATOM 0 HD12 LEU A 82 -10.442 -1.639 -0.825 1.00 0.47 H new ATOM 0 HD13 LEU A 82 -11.569 -2.068 -2.133 1.00 0.47 H new ATOM 0 HD21 LEU A 82 -11.100 0.470 -3.789 1.00 0.41 H new ATOM 0 HD22 LEU A 82 -12.707 -0.207 -3.435 1.00 0.41 H new ATOM 0 HD23 LEU A 82 -12.343 1.484 -3.017 1.00 0.41 H new ATOM 1231 N ALA A 83 -14.878 1.779 1.288 1.00 0.44 N ATOM 1232 CA ALA A 83 -16.139 1.694 2.011 1.00 0.56 C ATOM 1233 C ALA A 83 -17.232 2.449 1.248 1.00 0.67 C ATOM 1234 O ALA A 83 -18.424 2.241 1.470 1.00 0.80 O ATOM 1235 CB ALA A 83 -15.987 2.240 3.418 1.00 0.67 C ATOM 0 H ALA A 83 -14.170 2.359 1.739 1.00 0.44 H new ATOM 0 HA ALA A 83 -16.430 0.646 2.088 1.00 0.56 H new ATOM 0 HB1 ALA A 83 -16.940 2.167 3.941 1.00 0.67 H new ATOM 0 HB2 ALA A 83 -15.234 1.662 3.953 1.00 0.67 H new ATOM 0 HB3 ALA A 83 -15.677 3.284 3.372 1.00 0.67 H new ATOM 1241 N GLU A 84 -16.804 3.310 0.331 1.00 0.78 N ATOM 1242 CA GLU A 84 -17.705 4.079 -0.516 1.00 1.04 C ATOM 1243 C GLU A 84 -17.960 3.349 -1.837 1.00 1.08 C ATOM 1244 O GLU A 84 -18.700 3.837 -2.708 1.00 1.41 O ATOM 1245 CB GLU A 84 -17.121 5.471 -0.786 1.00 1.29 C ATOM 1246 CG GLU A 84 -16.990 6.334 0.455 1.00 1.69 C ATOM 1247 CD GLU A 84 -18.326 6.602 1.100 1.00 2.22 C ATOM 1248 OE1 GLU A 84 -18.780 5.781 1.911 1.00 2.44 O ATOM 1249 OE2 GLU A 84 -18.950 7.628 0.794 1.00 3.00 O ATOM 0 H GLU A 84 -15.816 3.494 0.154 1.00 0.78 H new ATOM 0 HA GLU A 84 -18.655 4.190 0.006 1.00 1.04 H new ATOM 0 HB2 GLU A 84 -16.138 5.359 -1.244 1.00 1.29 H new ATOM 0 HB3 GLU A 84 -17.754 5.986 -1.509 1.00 1.29 H new ATOM 0 HG2 GLU A 84 -16.334 5.841 1.172 1.00 1.69 H new ATOM 0 HG3 GLU A 84 -16.519 7.281 0.190 1.00 1.69 H new