USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot 80:sc= -0.457 USER MOD Set 1.2: A 48 THR OG1 : rot -54:sc= -0.0879 USER MOD Single : A 3 THR OG1 : rot -27:sc= 0.548 USER MOD Single : A 6 THR OG1 : rot -74:sc= 1.12 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -171:sc= 1.15 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0417 USER MOD Single : A 46 MET CE :methyl -127:sc= -3.64! (180deg=-6.33!) USER MOD Single : A 54 SER OG : rot 86:sc= 0.0894 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0856 X(o=-0.086,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 14.854 -7.791 -1.577 1.00 1.52 N ATOM 31 CA THR A 3 13.641 -8.480 -1.301 1.00 1.28 C ATOM 32 C THR A 3 12.446 -7.579 -1.599 1.00 1.04 C ATOM 33 O THR A 3 12.181 -6.605 -0.891 1.00 1.23 O ATOM 34 CB THR A 3 13.670 -8.902 0.175 1.00 1.66 C ATOM 35 OG1 THR A 3 14.238 -7.836 0.953 1.00 2.10 O ATOM 36 CG2 THR A 3 14.508 -10.154 0.359 1.00 2.36 C ATOM 0 HA THR A 3 13.543 -9.363 -1.932 1.00 1.28 H new ATOM 0 HB THR A 3 12.652 -9.112 0.502 1.00 1.66 H new ATOM 0 HG1 THR A 3 14.841 -7.306 0.391 1.00 2.10 H new ATOM 0 HG21 THR A 3 14.515 -10.436 1.412 1.00 2.36 H new ATOM 0 HG22 THR A 3 14.083 -10.966 -0.231 1.00 2.36 H new ATOM 0 HG23 THR A 3 15.528 -9.961 0.028 1.00 2.36 H new ATOM 44 N LEU A 4 11.767 -7.868 -2.672 1.00 0.77 N ATOM 45 CA LEU A 4 10.632 -7.084 -3.074 1.00 0.59 C ATOM 46 C LEU A 4 9.372 -7.810 -2.663 1.00 0.58 C ATOM 47 O LEU A 4 9.309 -9.037 -2.761 1.00 0.79 O ATOM 48 CB LEU A 4 10.655 -6.865 -4.593 1.00 0.63 C ATOM 49 CG LEU A 4 11.939 -6.232 -5.162 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.847 -6.086 -6.669 1.00 0.86 C ATOM 51 CD2 LEU A 4 12.221 -4.888 -4.513 1.00 0.64 C ATOM 0 H LEU A 4 11.982 -8.650 -3.291 1.00 0.77 H new ATOM 0 HA LEU A 4 10.664 -6.108 -2.590 1.00 0.59 H new ATOM 0 HB2 LEU A 4 10.500 -7.827 -5.082 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.810 -6.231 -4.862 1.00 0.63 H new ATOM 0 HG LEU A 4 12.769 -6.900 -4.931 1.00 0.70 H new ATOM 0 HD11 LEU A 4 12.765 -5.637 -7.048 1.00 0.86 H new ATOM 0 HD12 LEU A 4 11.710 -7.068 -7.122 1.00 0.86 H new ATOM 0 HD13 LEU A 4 11.000 -5.448 -6.922 1.00 0.86 H new ATOM 0 HD21 LEU A 4 13.133 -4.465 -4.934 1.00 0.64 H new ATOM 0 HD22 LEU A 4 11.387 -4.212 -4.700 1.00 0.64 H new ATOM 0 HD23 LEU A 4 12.346 -5.022 -3.438 1.00 0.64 H new ATOM 63 N LEU A 5 8.405 -7.089 -2.146 1.00 0.53 N ATOM 64 CA LEU A 5 7.154 -7.700 -1.764 1.00 0.58 C ATOM 65 C LEU A 5 6.254 -7.836 -2.972 1.00 0.47 C ATOM 66 O LEU A 5 6.327 -7.017 -3.899 1.00 0.54 O ATOM 67 CB LEU A 5 6.477 -6.973 -0.553 1.00 0.85 C ATOM 68 CG LEU A 5 6.174 -5.450 -0.640 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.042 -5.127 -1.603 1.00 0.85 C ATOM 70 CD2 LEU A 5 5.850 -4.906 0.736 1.00 1.27 C ATOM 0 H LEU A 5 8.460 -6.084 -1.981 1.00 0.53 H new ATOM 0 HA LEU A 5 7.357 -8.706 -1.398 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.534 -7.482 -0.354 1.00 0.85 H new ATOM 0 HB3 LEU A 5 7.114 -7.129 0.318 1.00 0.85 H new ATOM 0 HG LEU A 5 7.072 -4.970 -1.030 1.00 0.59 H new ATOM 0 HD11 LEU A 5 4.876 -4.050 -1.622 1.00 0.85 H new ATOM 0 HD12 LEU A 5 5.306 -5.471 -2.603 1.00 0.85 H new ATOM 0 HD13 LEU A 5 4.131 -5.629 -1.275 1.00 0.85 H new ATOM 0 HD21 LEU A 5 5.639 -3.839 0.665 1.00 1.27 H new ATOM 0 HD22 LEU A 5 4.977 -5.423 1.135 1.00 1.27 H new ATOM 0 HD23 LEU A 5 6.700 -5.065 1.399 1.00 1.27 H new ATOM 82 N THR A 6 5.446 -8.849 -2.977 1.00 0.43 N ATOM 83 CA THR A 6 4.607 -9.127 -4.099 1.00 0.48 C ATOM 84 C THR A 6 3.247 -8.444 -3.951 1.00 0.49 C ATOM 85 O THR A 6 3.007 -7.708 -2.974 1.00 0.52 O ATOM 86 CB THR A 6 4.419 -10.656 -4.284 1.00 0.58 C ATOM 87 OG1 THR A 6 3.841 -11.232 -3.087 1.00 0.64 O ATOM 88 CG2 THR A 6 5.748 -11.338 -4.579 1.00 0.76 C ATOM 0 H THR A 6 5.350 -9.507 -2.203 1.00 0.43 H new ATOM 0 HA THR A 6 5.099 -8.727 -4.986 1.00 0.48 H new ATOM 0 HB THR A 6 3.750 -10.813 -5.130 1.00 0.58 H new ATOM 0 HG1 THR A 6 4.523 -11.280 -2.385 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.588 -12.409 -4.704 1.00 0.76 H new ATOM 0 HG22 THR A 6 6.174 -10.925 -5.494 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.436 -11.169 -3.750 1.00 0.76 H new ATOM 96 N THR A 7 2.359 -8.723 -4.872 1.00 0.56 N ATOM 97 CA THR A 7 1.021 -8.201 -4.840 1.00 0.62 C ATOM 98 C THR A 7 0.274 -8.859 -3.668 1.00 0.64 C ATOM 99 O THR A 7 -0.478 -8.204 -2.936 1.00 0.73 O ATOM 100 CB THR A 7 0.311 -8.521 -6.177 1.00 0.74 C ATOM 101 OG1 THR A 7 1.119 -8.053 -7.272 1.00 1.34 O ATOM 102 CG2 THR A 7 -1.032 -7.838 -6.246 1.00 1.19 C ATOM 0 H THR A 7 2.549 -9.326 -5.673 1.00 0.56 H new ATOM 0 HA THR A 7 1.035 -7.119 -4.705 1.00 0.62 H new ATOM 0 HB THR A 7 0.169 -9.600 -6.240 1.00 0.74 H new ATOM 0 HG1 THR A 7 0.671 -8.257 -8.120 1.00 1.34 H new ATOM 0 HG21 THR A 7 -1.513 -8.077 -7.194 1.00 1.19 H new ATOM 0 HG22 THR A 7 -1.659 -8.184 -5.424 1.00 1.19 H new ATOM 0 HG23 THR A 7 -0.896 -6.759 -6.170 1.00 1.19 H new ATOM 110 N ASP A 8 0.537 -10.147 -3.480 1.00 0.65 N ATOM 111 CA ASP A 8 -0.044 -10.932 -2.402 1.00 0.71 C ATOM 112 C ASP A 8 0.343 -10.339 -1.051 1.00 0.65 C ATOM 113 O ASP A 8 -0.513 -10.143 -0.191 1.00 0.69 O ATOM 114 CB ASP A 8 0.436 -12.379 -2.492 1.00 0.86 C ATOM 115 CG ASP A 8 -0.246 -13.294 -1.504 1.00 1.61 C ATOM 116 OD1 ASP A 8 0.162 -13.364 -0.347 1.00 2.44 O ATOM 117 OD2 ASP A 8 -1.211 -13.975 -1.882 1.00 1.74 O ATOM 0 H ASP A 8 1.167 -10.680 -4.080 1.00 0.65 H new ATOM 0 HA ASP A 8 -1.130 -10.911 -2.498 1.00 0.71 H new ATOM 0 HB2 ASP A 8 0.262 -12.751 -3.502 1.00 0.86 H new ATOM 0 HB3 ASP A 8 1.512 -12.409 -2.322 1.00 0.86 H new ATOM 122 N ASP A 9 1.639 -10.003 -0.896 1.00 0.60 N ATOM 123 CA ASP A 9 2.148 -9.378 0.350 1.00 0.61 C ATOM 124 C ASP A 9 1.414 -8.077 0.607 1.00 0.56 C ATOM 125 O ASP A 9 0.944 -7.819 1.719 1.00 0.62 O ATOM 126 CB ASP A 9 3.663 -9.054 0.294 1.00 0.64 C ATOM 127 CG ASP A 9 4.591 -10.244 0.203 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.862 -10.880 1.246 1.00 1.32 O ATOM 129 OD2 ASP A 9 5.016 -10.617 -0.907 1.00 2.06 O ATOM 0 H ASP A 9 2.352 -10.151 -1.611 1.00 0.60 H new ATOM 0 HA ASP A 9 1.979 -10.105 1.144 1.00 0.61 H new ATOM 0 HB2 ASP A 9 3.845 -8.409 -0.566 1.00 0.64 H new ATOM 0 HB3 ASP A 9 3.925 -8.481 1.183 1.00 0.64 H new ATOM 134 N LEU A 10 1.297 -7.269 -0.443 1.00 0.52 N ATOM 135 CA LEU A 10 0.624 -5.979 -0.370 1.00 0.51 C ATOM 136 C LEU A 10 -0.846 -6.143 0.024 1.00 0.52 C ATOM 137 O LEU A 10 -1.361 -5.377 0.830 1.00 0.58 O ATOM 138 CB LEU A 10 0.730 -5.232 -1.707 1.00 0.50 C ATOM 139 CG LEU A 10 0.090 -3.839 -1.746 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.793 -2.891 -0.788 1.00 0.60 C ATOM 141 CD2 LEU A 10 0.097 -3.285 -3.156 1.00 0.56 C ATOM 0 H LEU A 10 1.666 -7.491 -1.367 1.00 0.52 H new ATOM 0 HA LEU A 10 1.123 -5.391 0.401 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.785 -5.134 -1.964 1.00 0.50 H new ATOM 0 HB3 LEU A 10 0.269 -5.845 -2.482 1.00 0.50 H new ATOM 0 HG LEU A 10 -0.947 -3.934 -1.424 1.00 0.51 H new ATOM 0 HD11 LEU A 10 0.320 -1.910 -0.835 1.00 0.60 H new ATOM 0 HD12 LEU A 10 0.721 -3.281 0.227 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.842 -2.802 -1.069 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.362 -2.296 -3.161 1.00 0.56 H new ATOM 0 HD22 LEU A 10 1.124 -3.210 -3.512 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.467 -3.949 -3.811 1.00 0.56 H new ATOM 153 N ARG A 11 -1.503 -7.154 -0.538 1.00 0.51 N ATOM 154 CA ARG A 11 -2.914 -7.434 -0.245 1.00 0.54 C ATOM 155 C ARG A 11 -3.102 -7.675 1.244 1.00 0.53 C ATOM 156 O ARG A 11 -4.068 -7.200 1.853 1.00 0.57 O ATOM 157 CB ARG A 11 -3.376 -8.677 -0.979 1.00 0.60 C ATOM 158 CG ARG A 11 -4.866 -8.942 -0.857 1.00 0.82 C ATOM 159 CD ARG A 11 -5.175 -10.385 -1.133 1.00 0.98 C ATOM 160 NE ARG A 11 -4.566 -11.239 -0.117 1.00 1.50 N ATOM 161 CZ ARG A 11 -3.694 -12.216 -0.365 1.00 2.13 C ATOM 162 NH1 ARG A 11 -3.398 -12.545 -1.617 1.00 2.32 N ATOM 163 NH2 ARG A 11 -3.136 -12.873 0.642 1.00 3.08 N ATOM 0 H ARG A 11 -1.081 -7.800 -1.205 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.497 -6.572 -0.569 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -3.119 -8.582 -2.034 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.830 -9.539 -0.594 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -5.206 -8.678 0.144 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -5.411 -8.308 -1.557 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -6.254 -10.537 -1.145 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -4.803 -10.661 -2.120 1.00 0.98 H new ATOM 0 HE ARG A 11 -4.828 -11.076 0.855 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -3.838 -12.050 -2.392 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -2.730 -13.293 -1.803 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -3.374 -12.630 1.604 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -2.468 -13.621 0.455 1.00 3.08 H new ATOM 177 N ARG A 12 -2.181 -8.430 1.817 1.00 0.54 N ATOM 178 CA ARG A 12 -2.216 -8.751 3.243 1.00 0.59 C ATOM 179 C ARG A 12 -2.073 -7.461 4.047 1.00 0.61 C ATOM 180 O ARG A 12 -2.880 -7.158 4.923 1.00 0.66 O ATOM 181 CB ARG A 12 -1.048 -9.667 3.623 1.00 0.72 C ATOM 182 CG ARG A 12 -0.868 -10.894 2.765 1.00 0.94 C ATOM 183 CD ARG A 12 0.372 -11.661 3.192 1.00 1.09 C ATOM 184 NE ARG A 12 0.776 -12.654 2.197 1.00 1.71 N ATOM 185 CZ ARG A 12 1.820 -13.485 2.297 1.00 2.06 C ATOM 186 NH1 ARG A 12 2.495 -13.603 3.428 1.00 1.90 N ATOM 187 NH2 ARG A 12 2.143 -14.224 1.265 1.00 3.10 N ATOM 0 H ARG A 12 -1.391 -8.838 1.316 1.00 0.54 H new ATOM 0 HA ARG A 12 -3.160 -9.252 3.458 1.00 0.59 H new ATOM 0 HB2 ARG A 12 -0.128 -9.084 3.587 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -1.183 -9.986 4.656 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -1.746 -11.535 2.847 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -0.781 -10.604 1.718 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.191 -10.961 3.358 1.00 1.09 H new ATOM 0 HD3 ARG A 12 0.180 -12.159 4.143 1.00 1.09 H new ATOM 0 HE ARG A 12 0.211 -12.719 1.350 1.00 1.71 H new ATOM 0 HH11 ARG A 12 2.223 -13.055 4.244 1.00 1.90 H new ATOM 0 HH12 ARG A 12 3.288 -14.242 3.484 1.00 1.90 H new ATOM 0 HH21 ARG A 12 1.602 -14.160 0.403 1.00 3.10 H new ATOM 0 HH22 ARG A 12 2.936 -14.863 1.323 1.00 3.10 H new ATOM 201 N ALA A 13 -1.056 -6.704 3.697 1.00 0.66 N ATOM 202 CA ALA A 13 -0.685 -5.479 4.380 1.00 0.77 C ATOM 203 C ALA A 13 -1.757 -4.397 4.300 1.00 0.66 C ATOM 204 O ALA A 13 -1.970 -3.648 5.266 1.00 0.70 O ATOM 205 CB ALA A 13 0.599 -4.970 3.803 1.00 0.95 C ATOM 0 H ALA A 13 -0.447 -6.927 2.910 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.568 -5.718 5.437 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.886 -4.049 4.310 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.380 -5.718 3.939 1.00 0.95 H new ATOM 0 HB3 ALA A 13 0.467 -4.772 2.739 1.00 0.95 H new ATOM 211 N LEU A 14 -2.429 -4.319 3.168 1.00 0.58 N ATOM 212 CA LEU A 14 -3.462 -3.322 2.953 1.00 0.57 C ATOM 213 C LEU A 14 -4.605 -3.531 3.954 1.00 0.56 C ATOM 214 O LEU A 14 -5.102 -2.574 4.572 1.00 0.77 O ATOM 215 CB LEU A 14 -3.973 -3.393 1.504 1.00 0.59 C ATOM 216 CG LEU A 14 -4.849 -2.227 1.038 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.066 -0.924 1.084 1.00 1.09 C ATOM 218 CD2 LEU A 14 -5.371 -2.477 -0.368 1.00 1.40 C ATOM 0 H LEU A 14 -2.276 -4.941 2.374 1.00 0.58 H new ATOM 0 HA LEU A 14 -3.044 -2.328 3.114 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -3.111 -3.461 0.840 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -4.540 -4.316 1.386 1.00 0.59 H new ATOM 0 HG LEU A 14 -5.701 -2.148 1.714 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -4.703 -0.105 0.750 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -3.736 -0.734 2.105 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -3.197 -0.998 0.430 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -5.991 -1.637 -0.681 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -4.531 -2.583 -1.054 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -5.966 -3.391 -0.378 1.00 1.40 H new ATOM 230 N VAL A 15 -4.961 -4.790 4.182 1.00 0.46 N ATOM 231 CA VAL A 15 -6.020 -5.129 5.131 1.00 0.49 C ATOM 232 C VAL A 15 -5.565 -4.805 6.565 1.00 0.52 C ATOM 233 O VAL A 15 -6.366 -4.393 7.410 1.00 0.66 O ATOM 234 CB VAL A 15 -6.460 -6.619 5.011 1.00 0.55 C ATOM 235 CG1 VAL A 15 -7.560 -6.963 6.013 1.00 0.67 C ATOM 236 CG2 VAL A 15 -6.939 -6.911 3.599 1.00 0.59 C ATOM 0 H VAL A 15 -4.533 -5.594 3.724 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.892 -4.522 4.888 1.00 0.49 H new ATOM 0 HB VAL A 15 -5.593 -7.239 5.237 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -7.841 -8.010 5.900 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -7.196 -6.793 7.026 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -8.430 -6.332 5.829 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -7.244 -7.955 3.527 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -7.787 -6.268 3.362 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -6.130 -6.720 2.894 1.00 0.59 H new ATOM 246 N GLU A 16 -4.250 -4.889 6.794 1.00 0.48 N ATOM 247 CA GLU A 16 -3.645 -4.569 8.098 1.00 0.54 C ATOM 248 C GLU A 16 -3.750 -3.081 8.413 1.00 0.51 C ATOM 249 O GLU A 16 -3.464 -2.656 9.523 1.00 0.63 O ATOM 250 CB GLU A 16 -2.167 -4.995 8.167 1.00 0.64 C ATOM 251 CG GLU A 16 -1.952 -6.480 7.971 1.00 0.83 C ATOM 252 CD GLU A 16 -0.510 -6.875 8.091 1.00 1.12 C ATOM 253 OE1 GLU A 16 -0.036 -7.116 9.209 1.00 1.14 O ATOM 254 OE2 GLU A 16 0.194 -6.946 7.065 1.00 1.94 O ATOM 0 H GLU A 16 -3.575 -5.179 6.086 1.00 0.48 H new ATOM 0 HA GLU A 16 -4.208 -5.134 8.841 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.606 -4.452 7.406 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.758 -4.702 9.134 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -2.538 -7.029 8.709 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -2.324 -6.771 6.988 1.00 0.83 H new ATOM 261 N SER A 17 -4.108 -2.298 7.424 1.00 0.49 N ATOM 262 CA SER A 17 -4.243 -0.876 7.600 1.00 0.58 C ATOM 263 C SER A 17 -5.686 -0.524 7.958 1.00 0.66 C ATOM 264 O SER A 17 -5.956 0.489 8.619 1.00 0.98 O ATOM 265 CB SER A 17 -3.872 -0.215 6.308 1.00 0.62 C ATOM 266 OG SER A 17 -2.696 -0.809 5.785 1.00 1.38 O ATOM 0 H SER A 17 -4.312 -2.628 6.481 1.00 0.49 H new ATOM 0 HA SER A 17 -3.594 -0.536 8.407 1.00 0.58 H new ATOM 0 HB2 SER A 17 -4.688 -0.311 5.592 1.00 0.62 H new ATOM 0 HB3 SER A 17 -3.712 0.851 6.467 1.00 0.62 H new ATOM 0 HG SER A 17 -2.925 -1.650 5.338 1.00 1.38 H new ATOM 272 N ALA A 18 -6.606 -1.365 7.530 1.00 0.65 N ATOM 273 CA ALA A 18 -8.006 -1.132 7.768 1.00 0.88 C ATOM 274 C ALA A 18 -8.437 -1.826 9.040 1.00 0.85 C ATOM 275 O ALA A 18 -9.119 -1.243 9.873 1.00 1.04 O ATOM 276 CB ALA A 18 -8.836 -1.608 6.589 1.00 1.13 C ATOM 0 H ALA A 18 -6.402 -2.220 7.013 1.00 0.65 H new ATOM 0 HA ALA A 18 -8.168 -0.060 7.883 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -9.891 -1.423 6.789 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -8.536 -1.067 5.691 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.677 -2.676 6.440 1.00 1.13 H new ATOM 282 N GLY A 19 -8.040 -3.061 9.192 1.00 0.79 N ATOM 283 CA GLY A 19 -8.387 -3.804 10.367 1.00 0.97 C ATOM 284 C GLY A 19 -9.698 -4.515 10.187 1.00 1.18 C ATOM 285 O GLY A 19 -9.742 -5.744 10.122 1.00 1.57 O ATOM 0 H GLY A 19 -7.475 -3.572 8.514 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -7.603 -4.529 10.588 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -8.449 -3.131 11.222 1.00 0.97 H new ATOM 289 N GLU A 20 -10.758 -3.751 10.090 1.00 1.43 N ATOM 290 CA GLU A 20 -12.071 -4.293 9.892 1.00 1.75 C ATOM 291 C GLU A 20 -12.417 -4.258 8.421 1.00 1.79 C ATOM 292 O GLU A 20 -12.782 -3.214 7.881 1.00 2.30 O ATOM 293 CB GLU A 20 -13.108 -3.535 10.715 1.00 2.40 C ATOM 294 CG GLU A 20 -14.510 -4.104 10.620 1.00 3.14 C ATOM 295 CD GLU A 20 -15.471 -3.372 11.497 1.00 3.62 C ATOM 296 OE1 GLU A 20 -16.050 -2.356 11.051 1.00 4.15 O ATOM 297 OE2 GLU A 20 -15.684 -3.789 12.637 1.00 3.97 O ATOM 0 H GLU A 20 -10.730 -2.733 10.147 1.00 1.43 H new ATOM 0 HA GLU A 20 -12.079 -5.328 10.233 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -12.798 -3.535 11.760 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -13.126 -2.495 10.388 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -14.852 -4.054 9.586 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -14.494 -5.157 10.900 1.00 3.14 H new ATOM 304 N THR A 21 -12.244 -5.374 7.792 1.00 1.91 N ATOM 305 CA THR A 21 -12.523 -5.554 6.406 1.00 2.43 C ATOM 306 C THR A 21 -13.347 -6.831 6.294 1.00 2.45 C ATOM 307 O THR A 21 -12.820 -7.933 6.188 1.00 3.06 O ATOM 308 CB THR A 21 -11.199 -5.659 5.627 1.00 3.22 C ATOM 309 OG1 THR A 21 -10.410 -4.492 5.920 1.00 3.77 O ATOM 310 CG2 THR A 21 -11.438 -5.721 4.130 1.00 3.83 C ATOM 0 H THR A 21 -11.891 -6.216 8.247 1.00 1.91 H new ATOM 0 HA THR A 21 -13.077 -4.716 5.983 1.00 2.43 H new ATOM 0 HB THR A 21 -10.688 -6.573 5.929 1.00 3.22 H new ATOM 0 HG1 THR A 21 -9.638 -4.460 5.318 1.00 3.77 H new ATOM 0 HG21 THR A 21 -10.482 -5.795 3.612 1.00 3.83 H new ATOM 0 HG22 THR A 21 -12.047 -6.594 3.895 1.00 3.83 H new ATOM 0 HG23 THR A 21 -11.957 -4.819 3.807 1.00 3.83 H new ATOM 318 N ASP A 22 -14.623 -6.652 6.471 1.00 2.17 N ATOM 319 CA ASP A 22 -15.600 -7.729 6.556 1.00 2.48 C ATOM 320 C ASP A 22 -15.789 -8.532 5.244 1.00 2.10 C ATOM 321 O ASP A 22 -15.112 -9.531 5.033 1.00 2.55 O ATOM 322 CB ASP A 22 -16.931 -7.187 7.119 1.00 3.04 C ATOM 323 CG ASP A 22 -17.466 -6.028 6.312 1.00 3.67 C ATOM 324 OD1 ASP A 22 -16.938 -4.910 6.437 1.00 4.25 O ATOM 325 OD2 ASP A 22 -18.466 -6.198 5.592 1.00 3.96 O ATOM 0 H ASP A 22 -15.039 -5.726 6.565 1.00 2.17 H new ATOM 0 HA ASP A 22 -15.197 -8.465 7.251 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -17.670 -7.988 7.133 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -16.784 -6.870 8.152 1.00 3.04 H new ATOM 330 N GLY A 23 -16.664 -8.085 4.361 1.00 1.96 N ATOM 331 CA GLY A 23 -16.941 -8.814 3.141 1.00 2.00 C ATOM 332 C GLY A 23 -16.237 -8.229 1.951 1.00 1.94 C ATOM 333 O GLY A 23 -16.636 -8.445 0.810 1.00 2.20 O ATOM 0 H GLY A 23 -17.194 -7.220 4.468 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -16.636 -9.853 3.265 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -18.016 -8.816 2.959 1.00 2.00 H new ATOM 337 N THR A 24 -15.202 -7.491 2.215 1.00 1.83 N ATOM 338 CA THR A 24 -14.424 -6.879 1.183 1.00 1.80 C ATOM 339 C THR A 24 -13.274 -7.818 0.803 1.00 1.84 C ATOM 340 O THR A 24 -12.223 -7.842 1.459 1.00 1.90 O ATOM 341 CB THR A 24 -13.883 -5.522 1.680 1.00 1.83 C ATOM 342 OG1 THR A 24 -14.990 -4.743 2.187 1.00 1.96 O ATOM 343 CG2 THR A 24 -13.209 -4.751 0.548 1.00 1.85 C ATOM 0 H THR A 24 -14.872 -7.295 3.160 1.00 1.83 H new ATOM 0 HA THR A 24 -15.041 -6.700 0.302 1.00 1.80 H new ATOM 0 HB THR A 24 -13.144 -5.702 2.461 1.00 1.83 H new ATOM 0 HG1 THR A 24 -14.661 -3.878 2.508 1.00 1.96 H new ATOM 0 HG21 THR A 24 -12.837 -3.799 0.927 1.00 1.85 H new ATOM 0 HG22 THR A 24 -12.377 -5.335 0.155 1.00 1.85 H new ATOM 0 HG23 THR A 24 -13.931 -4.568 -0.248 1.00 1.85 H new ATOM 351 N ASP A 25 -13.527 -8.667 -0.169 1.00 1.96 N ATOM 352 CA ASP A 25 -12.526 -9.607 -0.625 1.00 2.09 C ATOM 353 C ASP A 25 -11.559 -8.893 -1.522 1.00 1.62 C ATOM 354 O ASP A 25 -11.954 -8.171 -2.442 1.00 1.86 O ATOM 355 CB ASP A 25 -13.136 -10.821 -1.333 1.00 2.69 C ATOM 356 CG ASP A 25 -14.028 -11.643 -0.434 1.00 3.10 C ATOM 357 OD1 ASP A 25 -13.526 -12.272 0.526 1.00 3.40 O ATOM 358 OD2 ASP A 25 -15.246 -11.694 -0.676 1.00 3.55 O ATOM 0 H ASP A 25 -14.419 -8.726 -0.660 1.00 1.96 H new ATOM 0 HA ASP A 25 -12.004 -9.998 0.248 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -13.712 -10.481 -2.194 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -12.334 -11.452 -1.715 1.00 2.69 H new ATOM 363 N LEU A 26 -10.304 -9.070 -1.250 1.00 1.28 N ATOM 364 CA LEU A 26 -9.274 -8.353 -1.935 1.00 0.95 C ATOM 365 C LEU A 26 -8.362 -9.342 -2.684 1.00 1.02 C ATOM 366 O LEU A 26 -7.480 -8.950 -3.435 1.00 1.36 O ATOM 367 CB LEU A 26 -8.487 -7.564 -0.879 1.00 1.16 C ATOM 368 CG LEU A 26 -7.604 -6.432 -1.372 1.00 0.73 C ATOM 369 CD1 LEU A 26 -8.454 -5.330 -1.993 1.00 0.86 C ATOM 370 CD2 LEU A 26 -6.778 -5.882 -0.227 1.00 1.05 C ATOM 0 H LEU A 26 -9.963 -9.720 -0.542 1.00 1.28 H new ATOM 0 HA LEU A 26 -9.692 -7.669 -2.674 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -9.200 -7.150 -0.166 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -7.860 -8.267 -0.331 1.00 1.16 H new ATOM 0 HG LEU A 26 -6.929 -6.818 -2.136 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -7.807 -4.525 -2.342 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -9.016 -5.735 -2.835 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -9.147 -4.941 -1.247 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -6.148 -5.070 -0.590 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.441 -5.506 0.552 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -6.150 -6.674 0.182 1.00 1.05 H new ATOM 382 N SER A 27 -8.586 -10.622 -2.453 1.00 1.03 N ATOM 383 CA SER A 27 -7.804 -11.679 -3.083 1.00 1.23 C ATOM 384 C SER A 27 -8.145 -11.835 -4.569 1.00 1.39 C ATOM 385 O SER A 27 -9.313 -11.764 -4.960 1.00 2.16 O ATOM 386 CB SER A 27 -8.039 -12.994 -2.347 1.00 1.77 C ATOM 387 OG SER A 27 -7.684 -12.870 -0.974 1.00 2.39 O ATOM 0 H SER A 27 -9.314 -10.962 -1.824 1.00 1.03 H new ATOM 0 HA SER A 27 -6.751 -11.403 -3.020 1.00 1.23 H new ATOM 0 HB2 SER A 27 -9.087 -13.283 -2.433 1.00 1.77 H new ATOM 0 HB3 SER A 27 -7.451 -13.786 -2.810 1.00 1.77 H new ATOM 0 HG SER A 27 -7.843 -13.722 -0.517 1.00 2.39 H new ATOM 393 N GLY A 28 -7.134 -12.030 -5.378 1.00 1.32 N ATOM 394 CA GLY A 28 -7.329 -12.217 -6.798 1.00 1.62 C ATOM 395 C GLY A 28 -6.591 -11.172 -7.575 1.00 1.42 C ATOM 396 O GLY A 28 -5.364 -11.259 -7.741 1.00 1.77 O ATOM 0 H GLY A 28 -6.160 -12.064 -5.077 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -6.982 -13.208 -7.091 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -8.392 -12.169 -7.034 1.00 1.62 H new ATOM 400 N ASP A 29 -7.303 -10.169 -8.019 1.00 1.39 N ATOM 401 CA ASP A 29 -6.700 -9.058 -8.734 1.00 1.21 C ATOM 402 C ASP A 29 -7.301 -7.781 -8.229 1.00 0.96 C ATOM 403 O ASP A 29 -8.424 -7.426 -8.571 1.00 1.17 O ATOM 404 CB ASP A 29 -6.871 -9.165 -10.256 1.00 1.44 C ATOM 405 CG ASP A 29 -6.186 -8.017 -10.994 1.00 1.84 C ATOM 406 OD1 ASP A 29 -4.962 -8.076 -11.221 1.00 2.28 O ATOM 407 OD2 ASP A 29 -6.862 -7.025 -11.327 1.00 2.30 O ATOM 0 H ASP A 29 -8.313 -10.093 -7.899 1.00 1.39 H new ATOM 0 HA ASP A 29 -5.626 -9.078 -8.546 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -6.459 -10.114 -10.601 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -7.933 -9.170 -10.501 1.00 1.44 H new ATOM 412 N PHE A 30 -6.581 -7.121 -7.385 1.00 0.73 N ATOM 413 CA PHE A 30 -7.059 -5.918 -6.762 1.00 0.56 C ATOM 414 C PHE A 30 -6.165 -4.765 -7.140 1.00 0.46 C ATOM 415 O PHE A 30 -6.458 -3.626 -6.839 1.00 0.43 O ATOM 416 CB PHE A 30 -7.069 -6.072 -5.224 1.00 0.53 C ATOM 417 CG PHE A 30 -5.700 -6.048 -4.574 1.00 0.55 C ATOM 418 CD1 PHE A 30 -4.876 -7.153 -4.606 1.00 0.74 C ATOM 419 CD2 PHE A 30 -5.240 -4.896 -3.944 1.00 0.55 C ATOM 420 CE1 PHE A 30 -3.628 -7.115 -4.030 1.00 0.89 C ATOM 421 CE2 PHE A 30 -3.990 -4.855 -3.367 1.00 0.68 C ATOM 422 CZ PHE A 30 -3.184 -5.965 -3.411 1.00 0.83 C ATOM 0 H PHE A 30 -5.640 -7.396 -7.102 1.00 0.73 H new ATOM 0 HA PHE A 30 -8.076 -5.728 -7.105 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -7.673 -5.271 -4.797 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.560 -7.012 -4.970 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -5.214 -8.058 -5.089 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -5.872 -4.021 -3.907 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -2.993 -7.988 -4.062 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -3.646 -3.953 -2.882 1.00 0.68 H new ATOM 0 HZ PHE A 30 -2.203 -5.938 -2.961 1.00 0.83 H new ATOM 432 N LEU A 31 -5.086 -5.064 -7.835 1.00 0.49 N ATOM 433 CA LEU A 31 -4.074 -4.126 -8.147 1.00 0.49 C ATOM 434 C LEU A 31 -4.595 -3.003 -9.071 1.00 0.49 C ATOM 435 O LEU A 31 -3.975 -1.940 -9.190 1.00 0.58 O ATOM 436 CB LEU A 31 -2.933 -4.892 -8.795 1.00 0.59 C ATOM 437 CG LEU A 31 -1.605 -4.225 -8.718 1.00 0.86 C ATOM 438 CD1 LEU A 31 -1.139 -4.125 -7.269 1.00 1.08 C ATOM 439 CD2 LEU A 31 -0.577 -4.911 -9.578 1.00 1.85 C ATOM 0 H LEU A 31 -4.902 -5.998 -8.200 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.733 -3.629 -7.239 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.859 -5.872 -8.323 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -3.178 -5.061 -9.844 1.00 0.59 H new ATOM 0 HG LEU A 31 -1.720 -3.215 -9.112 1.00 0.86 H new ATOM 0 HD11 LEU A 31 -0.166 -3.635 -7.233 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -1.860 -3.544 -6.694 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -1.057 -5.125 -6.843 1.00 1.08 H new ATOM 0 HD21 LEU A 31 0.377 -4.390 -9.491 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -0.458 -5.943 -9.249 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -0.904 -4.897 -10.618 1.00 1.85 H new ATOM 451 N ASP A 32 -5.752 -3.234 -9.665 1.00 0.49 N ATOM 452 CA ASP A 32 -6.359 -2.288 -10.583 1.00 0.67 C ATOM 453 C ASP A 32 -7.610 -1.622 -9.961 1.00 0.57 C ATOM 454 O ASP A 32 -8.221 -0.735 -10.564 1.00 0.74 O ATOM 455 CB ASP A 32 -6.733 -3.021 -11.885 1.00 0.94 C ATOM 456 CG ASP A 32 -7.197 -2.105 -13.000 1.00 1.76 C ATOM 457 OD1 ASP A 32 -6.338 -1.455 -13.642 1.00 2.55 O ATOM 458 OD2 ASP A 32 -8.411 -2.057 -13.290 1.00 2.27 O ATOM 0 H ASP A 32 -6.298 -4.084 -9.524 1.00 0.49 H new ATOM 0 HA ASP A 32 -5.641 -1.497 -10.798 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -5.869 -3.588 -12.231 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -7.522 -3.742 -11.670 1.00 0.94 H new ATOM 463 N LEU A 33 -7.989 -2.020 -8.744 1.00 0.51 N ATOM 464 CA LEU A 33 -9.211 -1.465 -8.149 1.00 0.60 C ATOM 465 C LEU A 33 -9.013 -0.076 -7.552 1.00 0.50 C ATOM 466 O LEU A 33 -7.886 0.428 -7.476 1.00 0.60 O ATOM 467 CB LEU A 33 -9.966 -2.445 -7.193 1.00 0.85 C ATOM 468 CG LEU A 33 -9.239 -3.052 -5.972 1.00 0.69 C ATOM 469 CD1 LEU A 33 -8.794 -1.998 -4.969 1.00 1.35 C ATOM 470 CD2 LEU A 33 -10.138 -4.074 -5.295 1.00 1.12 C ATOM 0 H LEU A 33 -7.491 -2.698 -8.168 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.888 -1.332 -8.993 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -10.844 -1.919 -6.818 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -10.327 -3.275 -7.800 1.00 0.85 H new ATOM 0 HG LEU A 33 -8.336 -3.537 -6.341 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -8.289 -2.482 -4.133 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -8.109 -1.302 -5.453 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -9.665 -1.454 -4.602 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -9.622 -4.500 -4.435 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -11.056 -3.588 -4.964 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -10.382 -4.868 -6.001 1.00 1.12 H new ATOM 482 N ARG A 34 -10.099 0.530 -7.132 1.00 0.50 N ATOM 483 CA ARG A 34 -10.076 1.878 -6.630 1.00 0.51 C ATOM 484 C ARG A 34 -10.247 1.886 -5.118 1.00 0.47 C ATOM 485 O ARG A 34 -11.071 1.144 -4.571 1.00 0.58 O ATOM 486 CB ARG A 34 -11.194 2.696 -7.284 1.00 0.67 C ATOM 487 CG ARG A 34 -11.115 2.746 -8.800 1.00 0.85 C ATOM 488 CD ARG A 34 -9.788 3.319 -9.270 1.00 0.93 C ATOM 489 NE ARG A 34 -9.595 4.721 -8.891 1.00 1.72 N ATOM 490 CZ ARG A 34 -8.497 5.421 -9.194 1.00 2.04 C ATOM 491 NH1 ARG A 34 -7.622 4.931 -10.073 1.00 1.66 N ATOM 492 NH2 ARG A 34 -8.306 6.628 -8.681 1.00 3.07 N ATOM 0 H ARG A 34 -11.023 0.099 -7.130 1.00 0.50 H new ATOM 0 HA ARG A 34 -9.112 2.325 -6.875 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -12.156 2.274 -6.994 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -11.161 3.714 -6.895 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -11.243 1.742 -9.205 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -11.933 3.353 -9.188 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -8.975 2.723 -8.855 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -9.726 3.231 -10.355 1.00 0.93 H new ATOM 0 HE ARG A 34 -10.337 5.187 -8.369 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -7.792 4.026 -10.511 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -6.783 5.462 -10.307 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -8.999 7.029 -8.050 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -7.466 7.155 -8.917 1.00 3.07 H new ATOM 506 N PHE A 35 -9.499 2.742 -4.446 1.00 0.42 N ATOM 507 CA PHE A 35 -9.548 2.829 -2.995 1.00 0.42 C ATOM 508 C PHE A 35 -10.830 3.485 -2.519 1.00 0.53 C ATOM 509 O PHE A 35 -11.322 3.181 -1.431 1.00 0.61 O ATOM 510 CB PHE A 35 -8.333 3.566 -2.445 1.00 0.41 C ATOM 511 CG PHE A 35 -7.038 2.884 -2.754 1.00 0.39 C ATOM 512 CD1 PHE A 35 -6.713 1.684 -2.146 1.00 0.43 C ATOM 513 CD2 PHE A 35 -6.153 3.430 -3.658 1.00 0.44 C ATOM 514 CE1 PHE A 35 -5.526 1.050 -2.433 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.973 2.807 -3.946 1.00 0.51 C ATOM 516 CZ PHE A 35 -4.653 1.615 -3.332 1.00 0.53 C ATOM 0 H PHE A 35 -8.846 3.392 -4.884 1.00 0.42 H new ATOM 0 HA PHE A 35 -9.531 1.809 -2.611 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -8.312 4.575 -2.857 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.435 3.665 -1.364 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -7.398 1.240 -1.439 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -6.396 4.363 -4.145 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -5.281 0.113 -1.954 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -4.289 3.249 -4.656 1.00 0.51 H new ATOM 0 HZ PHE A 35 -3.717 1.125 -3.557 1.00 0.53 H new ATOM 526 N GLU A 36 -11.384 4.357 -3.347 1.00 0.64 N ATOM 527 CA GLU A 36 -12.633 5.049 -3.049 1.00 0.83 C ATOM 528 C GLU A 36 -13.736 4.011 -2.855 1.00 0.92 C ATOM 529 O GLU A 36 -14.502 4.038 -1.881 1.00 1.05 O ATOM 530 CB GLU A 36 -13.010 5.922 -4.246 1.00 1.00 C ATOM 531 CG GLU A 36 -14.124 6.908 -3.992 1.00 1.56 C ATOM 532 CD GLU A 36 -13.671 8.060 -3.144 1.00 2.05 C ATOM 533 OE1 GLU A 36 -13.134 9.048 -3.717 1.00 2.39 O ATOM 534 OE2 GLU A 36 -13.845 8.024 -1.915 1.00 2.77 O ATOM 0 H GLU A 36 -10.980 4.607 -4.249 1.00 0.64 H new ATOM 0 HA GLU A 36 -12.516 5.657 -2.152 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -12.126 6.471 -4.568 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -13.301 5.273 -5.072 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -14.500 7.284 -4.944 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -14.953 6.400 -3.500 1.00 1.56 H new ATOM 541 N ASP A 37 -13.738 3.058 -3.758 1.00 0.92 N ATOM 542 CA ASP A 37 -14.753 2.027 -3.838 1.00 1.07 C ATOM 543 C ASP A 37 -14.673 1.037 -2.680 1.00 1.02 C ATOM 544 O ASP A 37 -15.694 0.486 -2.251 1.00 1.20 O ATOM 545 CB ASP A 37 -14.632 1.304 -5.176 1.00 1.17 C ATOM 546 CG ASP A 37 -15.664 0.224 -5.372 1.00 1.39 C ATOM 547 OD1 ASP A 37 -16.862 0.540 -5.428 1.00 1.64 O ATOM 548 OD2 ASP A 37 -15.287 -0.980 -5.420 1.00 1.99 O ATOM 0 H ASP A 37 -13.018 2.974 -4.475 1.00 0.92 H new ATOM 0 HA ASP A 37 -15.728 2.509 -3.764 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -14.722 2.032 -5.982 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -13.638 0.864 -5.253 1.00 1.17 H new ATOM 553 N ILE A 38 -13.487 0.837 -2.146 1.00 0.85 N ATOM 554 CA ILE A 38 -13.311 -0.128 -1.068 1.00 0.88 C ATOM 555 C ILE A 38 -13.225 0.524 0.311 1.00 0.84 C ATOM 556 O ILE A 38 -12.947 -0.142 1.304 1.00 0.91 O ATOM 557 CB ILE A 38 -12.112 -1.080 -1.295 1.00 0.85 C ATOM 558 CG1 ILE A 38 -10.801 -0.285 -1.439 1.00 0.66 C ATOM 559 CG2 ILE A 38 -12.366 -1.936 -2.526 1.00 0.97 C ATOM 560 CD1 ILE A 38 -9.559 -1.144 -1.566 1.00 0.68 C ATOM 0 H ILE A 38 -12.636 1.321 -2.432 1.00 0.85 H new ATOM 0 HA ILE A 38 -14.218 -0.733 -1.089 1.00 0.88 H new ATOM 0 HB ILE A 38 -12.008 -1.732 -0.428 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -10.875 0.358 -2.316 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -10.689 0.368 -0.574 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -11.521 -2.606 -2.684 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -13.272 -2.524 -2.380 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -12.487 -1.293 -3.398 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -8.682 -0.504 -1.663 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -9.456 -1.768 -0.678 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -9.644 -1.779 -2.448 1.00 0.68 H new ATOM 572 N GLY A 39 -13.536 1.802 0.367 1.00 0.81 N ATOM 573 CA GLY A 39 -13.547 2.519 1.635 1.00 0.82 C ATOM 574 C GLY A 39 -12.154 2.769 2.198 1.00 0.71 C ATOM 575 O GLY A 39 -11.878 2.482 3.362 1.00 0.82 O ATOM 0 H GLY A 39 -13.784 2.368 -0.444 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -14.053 3.475 1.500 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -14.128 1.950 2.361 1.00 0.82 H new ATOM 579 N TYR A 40 -11.279 3.270 1.370 1.00 0.56 N ATOM 580 CA TYR A 40 -9.935 3.609 1.778 1.00 0.48 C ATOM 581 C TYR A 40 -9.631 5.047 1.475 1.00 0.43 C ATOM 582 O TYR A 40 -9.650 5.461 0.315 1.00 0.50 O ATOM 583 CB TYR A 40 -8.899 2.743 1.066 1.00 0.51 C ATOM 584 CG TYR A 40 -8.567 1.431 1.721 1.00 0.52 C ATOM 585 CD1 TYR A 40 -9.450 0.366 1.718 1.00 0.67 C ATOM 586 CD2 TYR A 40 -7.336 1.260 2.324 1.00 0.60 C ATOM 587 CE1 TYR A 40 -9.113 -0.836 2.301 1.00 0.83 C ATOM 588 CE2 TYR A 40 -6.983 0.071 2.898 1.00 0.79 C ATOM 589 CZ TYR A 40 -7.876 -0.983 2.883 1.00 0.88 C ATOM 590 OH TYR A 40 -7.531 -2.182 3.440 1.00 1.13 O ATOM 0 H TYR A 40 -11.475 3.457 0.387 1.00 0.56 H new ATOM 0 HA TYR A 40 -9.880 3.432 2.852 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -9.257 2.541 0.056 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -7.979 3.320 0.969 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -10.418 0.478 1.252 1.00 0.67 H new ATOM 0 HD2 TYR A 40 -6.638 2.084 2.342 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -9.815 -1.657 2.301 1.00 0.83 H new ATOM 0 HE2 TYR A 40 -6.013 -0.044 3.360 1.00 0.79 H new ATOM 0 HH TYR A 40 -6.689 -2.084 3.932 1.00 1.13 H new ATOM 600 N ASP A 41 -9.382 5.818 2.494 1.00 0.49 N ATOM 601 CA ASP A 41 -8.927 7.181 2.301 1.00 0.54 C ATOM 602 C ASP A 41 -7.430 7.161 2.171 1.00 0.52 C ATOM 603 O ASP A 41 -6.795 6.126 2.426 1.00 0.88 O ATOM 604 CB ASP A 41 -9.312 8.105 3.471 1.00 0.71 C ATOM 605 CG ASP A 41 -10.786 8.405 3.555 1.00 1.05 C ATOM 606 OD1 ASP A 41 -11.539 7.598 4.138 1.00 1.35 O ATOM 607 OD2 ASP A 41 -11.211 9.460 3.060 1.00 1.48 O ATOM 0 H ASP A 41 -9.483 5.535 3.469 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.407 7.574 1.405 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -8.992 7.644 4.405 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -8.766 9.043 3.375 1.00 0.71 H new ATOM 612 N SER A 42 -6.866 8.284 1.828 1.00 0.39 N ATOM 613 CA SER A 42 -5.436 8.431 1.700 1.00 0.48 C ATOM 614 C SER A 42 -4.779 8.171 3.046 1.00 0.42 C ATOM 615 O SER A 42 -3.755 7.520 3.131 1.00 0.43 O ATOM 616 CB SER A 42 -5.161 9.831 1.223 1.00 0.71 C ATOM 617 OG SER A 42 -6.040 10.734 1.963 1.00 0.98 O ATOM 0 H SER A 42 -7.389 9.136 1.626 1.00 0.39 H new ATOM 0 HA SER A 42 -5.027 7.716 0.986 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.116 10.093 1.389 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.344 9.913 0.152 1.00 0.71 H new ATOM 0 HG SER A 42 -5.881 11.656 1.673 1.00 0.98 H new ATOM 622 N LEU A 43 -5.439 8.642 4.093 1.00 0.46 N ATOM 623 CA LEU A 43 -5.006 8.455 5.469 1.00 0.52 C ATOM 624 C LEU A 43 -4.861 6.964 5.808 1.00 0.45 C ATOM 625 O LEU A 43 -3.941 6.568 6.523 1.00 0.53 O ATOM 626 CB LEU A 43 -6.008 9.117 6.418 1.00 0.66 C ATOM 627 CG LEU A 43 -6.196 10.629 6.243 1.00 0.83 C ATOM 628 CD1 LEU A 43 -7.266 11.147 7.186 1.00 1.02 C ATOM 629 CD2 LEU A 43 -4.885 11.363 6.477 1.00 0.97 C ATOM 0 H LEU A 43 -6.305 9.174 4.009 1.00 0.46 H new ATOM 0 HA LEU A 43 -4.028 8.922 5.589 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -6.976 8.633 6.289 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -5.690 8.926 7.443 1.00 0.66 H new ATOM 0 HG LEU A 43 -6.518 10.815 5.218 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -7.385 12.222 7.047 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -8.211 10.647 6.974 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -6.972 10.945 8.216 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -5.040 12.434 6.348 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -4.534 11.166 7.490 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -4.140 11.015 5.761 1.00 0.97 H new ATOM 641 N ALA A 44 -5.740 6.142 5.251 1.00 0.40 N ATOM 642 CA ALA A 44 -5.700 4.704 5.490 1.00 0.39 C ATOM 643 C ALA A 44 -4.512 4.094 4.763 1.00 0.34 C ATOM 644 O ALA A 44 -3.820 3.234 5.289 1.00 0.38 O ATOM 645 CB ALA A 44 -6.998 4.047 5.041 1.00 0.43 C ATOM 0 H ALA A 44 -6.490 6.446 4.630 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.587 4.529 6.560 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.947 2.974 5.228 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.833 4.473 5.597 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.145 4.223 3.975 1.00 0.43 H new ATOM 651 N LEU A 45 -4.267 4.590 3.569 1.00 0.31 N ATOM 652 CA LEU A 45 -3.144 4.158 2.737 1.00 0.30 C ATOM 653 C LEU A 45 -1.818 4.596 3.366 1.00 0.29 C ATOM 654 O LEU A 45 -0.785 3.928 3.240 1.00 0.30 O ATOM 655 CB LEU A 45 -3.290 4.766 1.346 1.00 0.32 C ATOM 656 CG LEU A 45 -4.588 4.425 0.626 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.689 5.172 -0.689 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.679 2.931 0.406 1.00 0.36 C ATOM 0 H LEU A 45 -4.843 5.312 3.136 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.147 3.071 2.662 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.213 5.850 1.430 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.453 4.434 0.731 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.426 4.738 1.250 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.624 4.912 -1.184 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.665 6.245 -0.501 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.851 4.897 -1.329 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.610 2.695 -0.109 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.835 2.600 -0.200 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.657 2.420 1.368 1.00 0.36 H new ATOM 670 N MET A 46 -1.863 5.724 4.042 1.00 0.30 N ATOM 671 CA MET A 46 -0.720 6.247 4.780 1.00 0.31 C ATOM 672 C MET A 46 -0.402 5.339 5.943 1.00 0.33 C ATOM 673 O MET A 46 0.753 5.185 6.316 1.00 0.37 O ATOM 674 CB MET A 46 -0.999 7.673 5.273 1.00 0.37 C ATOM 675 CG MET A 46 -1.098 8.700 4.157 1.00 0.40 C ATOM 676 SD MET A 46 -1.844 10.261 4.692 1.00 0.54 S ATOM 677 CE MET A 46 -0.758 10.751 6.023 1.00 1.67 C ATOM 0 H MET A 46 -2.695 6.311 4.099 1.00 0.30 H new ATOM 0 HA MET A 46 0.141 6.282 4.113 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.930 7.676 5.840 1.00 0.37 H new ATOM 0 HB3 MET A 46 -0.207 7.972 5.959 1.00 0.37 H new ATOM 0 HG2 MET A 46 -0.101 8.897 3.763 1.00 0.40 H new ATOM 0 HG3 MET A 46 -1.687 8.284 3.340 1.00 0.40 H new ATOM 0 HE1 MET A 46 -1.347 10.952 6.918 1.00 1.67 H new ATOM 0 HE2 MET A 46 -0.049 9.949 6.228 1.00 1.67 H new ATOM 0 HE3 MET A 46 -0.215 11.652 5.737 1.00 1.67 H new ATOM 687 N GLU A 47 -1.430 4.709 6.487 1.00 0.36 N ATOM 688 CA GLU A 47 -1.262 3.790 7.588 1.00 0.42 C ATOM 689 C GLU A 47 -0.629 2.496 7.059 1.00 0.43 C ATOM 690 O GLU A 47 0.195 1.870 7.737 1.00 0.52 O ATOM 691 CB GLU A 47 -2.611 3.501 8.253 1.00 0.45 C ATOM 692 CG GLU A 47 -2.506 2.794 9.598 1.00 0.62 C ATOM 693 CD GLU A 47 -1.922 3.679 10.685 1.00 1.07 C ATOM 694 OE1 GLU A 47 -0.725 4.030 10.599 1.00 1.97 O ATOM 695 OE2 GLU A 47 -2.629 4.032 11.652 1.00 1.29 O ATOM 0 H GLU A 47 -2.395 4.822 6.177 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.609 4.232 8.340 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -3.144 4.442 8.390 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.212 2.889 7.580 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -3.496 2.456 9.904 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -1.886 1.904 9.488 1.00 0.62 H new ATOM 702 N THR A 48 -1.011 2.121 5.829 1.00 0.39 N ATOM 703 CA THR A 48 -0.446 0.974 5.132 1.00 0.44 C ATOM 704 C THR A 48 1.055 1.144 5.052 1.00 0.45 C ATOM 705 O THR A 48 1.820 0.326 5.592 1.00 0.56 O ATOM 706 CB THR A 48 -1.011 0.918 3.690 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.433 0.990 3.745 1.00 0.49 O ATOM 708 CG2 THR A 48 -0.604 -0.377 2.990 1.00 0.53 C ATOM 0 H THR A 48 -1.726 2.613 5.293 1.00 0.39 H new ATOM 0 HA THR A 48 -0.700 0.059 5.667 1.00 0.44 H new ATOM 0 HB THR A 48 -0.606 1.758 3.126 1.00 0.44 H new ATOM 0 HG1 THR A 48 -2.773 0.291 4.341 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.014 -0.389 1.980 1.00 0.53 H new ATOM 0 HG22 THR A 48 0.483 -0.438 2.941 1.00 0.53 H new ATOM 0 HG23 THR A 48 -0.990 -1.230 3.549 1.00 0.53 H new ATOM 716 N ALA A 49 1.453 2.228 4.399 1.00 0.37 N ATOM 717 CA ALA A 49 2.838 2.571 4.210 1.00 0.38 C ATOM 718 C ALA A 49 3.573 2.629 5.537 1.00 0.43 C ATOM 719 O ALA A 49 4.575 1.956 5.707 1.00 0.45 O ATOM 720 CB ALA A 49 2.950 3.897 3.477 1.00 0.36 C ATOM 0 H ALA A 49 0.805 2.897 3.983 1.00 0.37 H new ATOM 0 HA ALA A 49 3.305 1.794 3.606 1.00 0.38 H new ATOM 0 HB1 ALA A 49 4.002 4.148 3.338 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.465 3.817 2.504 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.464 4.678 4.062 1.00 0.36 H new ATOM 726 N ALA A 50 3.019 3.377 6.485 1.00 0.47 N ATOM 727 CA ALA A 50 3.628 3.584 7.796 1.00 0.57 C ATOM 728 C ALA A 50 3.906 2.286 8.544 1.00 0.62 C ATOM 729 O ALA A 50 4.999 2.104 9.100 1.00 0.68 O ATOM 730 CB ALA A 50 2.773 4.496 8.643 1.00 0.65 C ATOM 0 H ALA A 50 2.129 3.860 6.366 1.00 0.47 H new ATOM 0 HA ALA A 50 4.594 4.054 7.610 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.245 4.637 9.616 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.668 5.461 8.147 1.00 0.65 H new ATOM 0 HB3 ALA A 50 1.788 4.049 8.779 1.00 0.65 H new ATOM 736 N ARG A 51 2.945 1.387 8.560 1.00 0.65 N ATOM 737 CA ARG A 51 3.116 0.140 9.275 1.00 0.76 C ATOM 738 C ARG A 51 4.132 -0.741 8.546 1.00 0.64 C ATOM 739 O ARG A 51 5.020 -1.338 9.166 1.00 0.62 O ATOM 740 CB ARG A 51 1.785 -0.580 9.445 1.00 0.95 C ATOM 741 CG ARG A 51 1.861 -1.773 10.370 1.00 1.23 C ATOM 742 CD ARG A 51 0.524 -2.452 10.493 1.00 0.90 C ATOM 743 NE ARG A 51 0.571 -3.571 11.430 1.00 1.76 N ATOM 744 CZ ARG A 51 -0.463 -4.339 11.781 1.00 2.17 C ATOM 745 NH1 ARG A 51 -1.678 -4.097 11.295 1.00 2.08 N ATOM 746 NH2 ARG A 51 -0.282 -5.312 12.660 1.00 3.21 N ATOM 0 H ARG A 51 2.046 1.494 8.091 1.00 0.65 H new ATOM 0 HA ARG A 51 3.497 0.358 10.273 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.047 0.123 9.831 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.431 -0.909 8.468 1.00 0.95 H new ATOM 0 HG2 ARG A 51 2.599 -2.482 9.994 1.00 1.23 H new ATOM 0 HG3 ARG A 51 2.201 -1.452 11.355 1.00 1.23 H new ATOM 0 HD2 ARG A 51 -0.222 -1.730 10.826 1.00 0.90 H new ATOM 0 HD3 ARG A 51 0.206 -2.810 9.514 1.00 0.90 H new ATOM 0 HE ARG A 51 1.474 -3.785 11.854 1.00 1.76 H new ATOM 0 HH11 ARG A 51 -1.824 -3.321 10.650 1.00 2.08 H new ATOM 0 HH12 ARG A 51 -2.463 -4.688 11.568 1.00 2.08 H new ATOM 0 HH21 ARG A 51 0.642 -5.470 13.063 1.00 3.21 H new ATOM 0 HH22 ARG A 51 -1.066 -5.904 12.934 1.00 3.21 H new ATOM 760 N LEU A 52 4.001 -0.817 7.230 1.00 0.60 N ATOM 761 CA LEU A 52 4.970 -1.533 6.409 1.00 0.55 C ATOM 762 C LEU A 52 6.392 -0.990 6.547 1.00 0.46 C ATOM 763 O LEU A 52 7.351 -1.771 6.476 1.00 0.45 O ATOM 764 CB LEU A 52 4.545 -1.586 4.952 1.00 0.61 C ATOM 765 CG LEU A 52 3.311 -2.429 4.684 1.00 0.76 C ATOM 766 CD1 LEU A 52 2.980 -2.429 3.207 1.00 0.87 C ATOM 767 CD2 LEU A 52 3.529 -3.846 5.190 1.00 0.93 C ATOM 0 H LEU A 52 3.235 -0.393 6.707 1.00 0.60 H new ATOM 0 HA LEU A 52 4.988 -2.553 6.794 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.357 -0.570 4.605 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.372 -1.978 4.360 1.00 0.61 H new ATOM 0 HG LEU A 52 2.465 -1.997 5.219 1.00 0.76 H new ATOM 0 HD11 LEU A 52 2.093 -3.038 3.033 1.00 0.87 H new ATOM 0 HD12 LEU A 52 2.790 -1.408 2.877 1.00 0.87 H new ATOM 0 HD13 LEU A 52 3.819 -2.841 2.646 1.00 0.87 H new ATOM 0 HD21 LEU A 52 2.639 -4.443 4.994 1.00 0.93 H new ATOM 0 HD22 LEU A 52 4.383 -4.288 4.677 1.00 0.93 H new ATOM 0 HD23 LEU A 52 3.722 -3.824 6.263 1.00 0.93 H new ATOM 779 N GLU A 53 6.536 0.329 6.749 1.00 0.45 N ATOM 780 CA GLU A 53 7.848 0.929 6.988 1.00 0.44 C ATOM 781 C GLU A 53 8.499 0.258 8.180 1.00 0.46 C ATOM 782 O GLU A 53 9.609 -0.245 8.083 1.00 0.50 O ATOM 783 CB GLU A 53 7.768 2.427 7.285 1.00 0.52 C ATOM 784 CG GLU A 53 7.253 3.303 6.172 1.00 0.44 C ATOM 785 CD GLU A 53 7.249 4.752 6.581 1.00 0.45 C ATOM 786 OE1 GLU A 53 6.278 5.206 7.229 1.00 0.57 O ATOM 787 OE2 GLU A 53 8.232 5.450 6.299 1.00 0.45 O ATOM 0 H GLU A 53 5.762 0.993 6.751 1.00 0.45 H new ATOM 0 HA GLU A 53 8.428 0.788 6.076 1.00 0.44 H new ATOM 0 HB2 GLU A 53 7.128 2.569 8.156 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.764 2.775 7.561 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.874 3.174 5.286 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.243 2.996 5.901 1.00 0.44 H new ATOM 794 N SER A 54 7.754 0.205 9.273 1.00 0.49 N ATOM 795 CA SER A 54 8.196 -0.368 10.533 1.00 0.56 C ATOM 796 C SER A 54 8.527 -1.866 10.404 1.00 0.55 C ATOM 797 O SER A 54 9.348 -2.410 11.158 1.00 0.67 O ATOM 798 CB SER A 54 7.087 -0.152 11.559 1.00 0.67 C ATOM 799 OG SER A 54 6.751 1.235 11.631 1.00 1.36 O ATOM 0 H SER A 54 6.802 0.569 9.308 1.00 0.49 H new ATOM 0 HA SER A 54 9.116 0.125 10.847 1.00 0.56 H new ATOM 0 HB2 SER A 54 6.207 -0.734 11.284 1.00 0.67 H new ATOM 0 HB3 SER A 54 7.411 -0.507 12.537 1.00 0.67 H new ATOM 0 HG SER A 54 6.089 1.448 10.940 1.00 1.36 H new ATOM 805 N ARG A 55 7.904 -2.517 9.453 1.00 0.52 N ATOM 806 CA ARG A 55 8.103 -3.929 9.243 1.00 0.57 C ATOM 807 C ARG A 55 9.312 -4.208 8.348 1.00 0.54 C ATOM 808 O ARG A 55 10.206 -4.973 8.716 1.00 0.65 O ATOM 809 CB ARG A 55 6.845 -4.551 8.643 1.00 0.67 C ATOM 810 CG ARG A 55 6.944 -6.047 8.380 1.00 0.77 C ATOM 811 CD ARG A 55 5.626 -6.587 7.880 1.00 0.96 C ATOM 812 NE ARG A 55 4.563 -6.335 8.850 1.00 1.60 N ATOM 813 CZ ARG A 55 3.256 -6.392 8.601 1.00 2.10 C ATOM 814 NH1 ARG A 55 2.812 -6.688 7.394 1.00 1.89 N ATOM 815 NH2 ARG A 55 2.393 -6.131 9.564 1.00 3.10 N ATOM 0 H ARG A 55 7.246 -2.084 8.804 1.00 0.52 H new ATOM 0 HA ARG A 55 8.304 -4.383 10.213 1.00 0.57 H new ATOM 0 HB2 ARG A 55 6.008 -4.368 9.317 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.616 -4.044 7.705 1.00 0.67 H new ATOM 0 HG2 ARG A 55 7.725 -6.242 7.645 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.231 -6.564 9.295 1.00 0.77 H new ATOM 0 HD2 ARG A 55 5.374 -6.121 6.928 1.00 0.96 H new ATOM 0 HD3 ARG A 55 5.712 -7.658 7.697 1.00 0.96 H new ATOM 0 HE ARG A 55 4.846 -6.095 9.800 1.00 1.60 H new ATOM 0 HH11 ARG A 55 3.472 -6.876 6.640 1.00 1.89 H new ATOM 0 HH12 ARG A 55 1.809 -6.729 7.215 1.00 1.89 H new ATOM 0 HH21 ARG A 55 2.727 -5.886 10.496 1.00 3.10 H new ATOM 0 HH22 ARG A 55 1.391 -6.174 9.377 1.00 3.10 H new ATOM 829 N TYR A 56 9.354 -3.581 7.193 1.00 0.50 N ATOM 830 CA TYR A 56 10.401 -3.868 6.211 1.00 0.57 C ATOM 831 C TYR A 56 11.660 -3.035 6.407 1.00 0.59 C ATOM 832 O TYR A 56 12.740 -3.456 6.016 1.00 0.73 O ATOM 833 CB TYR A 56 9.869 -3.708 4.782 1.00 0.65 C ATOM 834 CG TYR A 56 8.850 -4.758 4.379 1.00 0.72 C ATOM 835 CD1 TYR A 56 7.513 -4.632 4.716 1.00 0.76 C ATOM 836 CD2 TYR A 56 9.237 -5.878 3.655 1.00 0.89 C ATOM 837 CE1 TYR A 56 6.593 -5.591 4.348 1.00 0.91 C ATOM 838 CE2 TYR A 56 8.323 -6.841 3.283 1.00 1.03 C ATOM 839 CZ TYR A 56 7.004 -6.695 3.633 1.00 1.03 C ATOM 840 OH TYR A 56 6.083 -7.647 3.254 1.00 1.21 O ATOM 0 H TYR A 56 8.683 -2.870 6.902 1.00 0.50 H new ATOM 0 HA TYR A 56 10.689 -4.907 6.373 1.00 0.57 H new ATOM 0 HB2 TYR A 56 9.417 -2.721 4.683 1.00 0.65 H new ATOM 0 HB3 TYR A 56 10.708 -3.746 4.087 1.00 0.65 H new ATOM 0 HD1 TYR A 56 7.185 -3.769 5.276 1.00 0.76 H new ATOM 0 HD2 TYR A 56 10.274 -5.997 3.378 1.00 0.89 H new ATOM 0 HE1 TYR A 56 5.554 -5.477 4.619 1.00 0.91 H new ATOM 0 HE2 TYR A 56 8.643 -7.705 2.720 1.00 1.03 H new ATOM 0 HH TYR A 56 6.535 -8.360 2.756 1.00 1.21 H new ATOM 850 N GLY A 57 11.536 -1.895 7.041 1.00 0.52 N ATOM 851 CA GLY A 57 12.683 -1.033 7.212 1.00 0.56 C ATOM 852 C GLY A 57 12.845 -0.118 6.023 1.00 0.54 C ATOM 853 O GLY A 57 13.892 -0.090 5.379 1.00 0.68 O ATOM 0 H GLY A 57 10.666 -1.544 7.443 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.567 -0.441 8.120 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.582 -1.636 7.338 1.00 0.56 H new ATOM 857 N VAL A 58 11.800 0.625 5.730 1.00 0.47 N ATOM 858 CA VAL A 58 11.779 1.547 4.598 1.00 0.44 C ATOM 859 C VAL A 58 11.348 2.934 5.040 1.00 0.42 C ATOM 860 O VAL A 58 11.004 3.135 6.213 1.00 0.44 O ATOM 861 CB VAL A 58 10.894 1.067 3.402 1.00 0.46 C ATOM 862 CG1 VAL A 58 11.469 -0.180 2.769 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.457 0.813 3.844 1.00 0.43 C ATOM 0 H VAL A 58 10.934 0.612 6.268 1.00 0.47 H new ATOM 0 HA VAL A 58 12.804 1.578 4.228 1.00 0.44 H new ATOM 0 HB VAL A 58 10.889 1.865 2.660 1.00 0.46 H new ATOM 0 HG11 VAL A 58 10.834 -0.493 1.940 1.00 0.55 H new ATOM 0 HG12 VAL A 58 12.473 0.029 2.399 1.00 0.55 H new ATOM 0 HG13 VAL A 58 11.515 -0.977 3.511 1.00 0.55 H new ATOM 0 HG21 VAL A 58 8.867 0.481 2.990 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.444 0.043 4.616 1.00 0.43 H new ATOM 0 HG23 VAL A 58 9.031 1.734 4.243 1.00 0.43 H new ATOM 873 N SER A 59 11.353 3.879 4.129 1.00 0.43 N ATOM 874 CA SER A 59 10.964 5.219 4.438 1.00 0.48 C ATOM 875 C SER A 59 10.005 5.714 3.365 1.00 0.43 C ATOM 876 O SER A 59 10.391 5.935 2.212 1.00 0.49 O ATOM 877 CB SER A 59 12.207 6.121 4.542 1.00 0.65 C ATOM 878 OG SER A 59 11.871 7.435 4.981 1.00 1.28 O ATOM 0 H SER A 59 11.627 3.733 3.158 1.00 0.43 H new ATOM 0 HA SER A 59 10.456 5.249 5.402 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.921 5.677 5.236 1.00 0.65 H new ATOM 0 HB3 SER A 59 12.698 6.177 3.571 1.00 0.65 H new ATOM 0 HG SER A 59 12.684 7.979 5.037 1.00 1.28 H new ATOM 884 N ILE A 60 8.767 5.841 3.728 1.00 0.39 N ATOM 885 CA ILE A 60 7.743 6.280 2.826 1.00 0.38 C ATOM 886 C ILE A 60 7.078 7.520 3.406 1.00 0.41 C ATOM 887 O ILE A 60 6.361 7.434 4.412 1.00 0.45 O ATOM 888 CB ILE A 60 6.666 5.180 2.596 1.00 0.37 C ATOM 889 CG1 ILE A 60 7.322 3.883 2.087 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.611 5.675 1.599 1.00 0.38 C ATOM 891 CD1 ILE A 60 6.369 2.714 1.955 1.00 0.82 C ATOM 0 H ILE A 60 8.433 5.641 4.671 1.00 0.39 H new ATOM 0 HA ILE A 60 8.205 6.501 1.864 1.00 0.38 H new ATOM 0 HB ILE A 60 6.176 4.966 3.546 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.778 4.077 1.116 1.00 0.45 H new ATOM 0 HG13 ILE A 60 8.127 3.605 2.767 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.862 4.898 1.445 1.00 0.38 H new ATOM 0 HG22 ILE A 60 5.129 6.570 1.993 1.00 0.38 H new ATOM 0 HG23 ILE A 60 6.090 5.910 0.649 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.912 1.842 1.591 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.932 2.490 2.928 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.577 2.968 1.251 1.00 0.82 H new ATOM 903 N PRO A 61 7.350 8.697 2.825 1.00 0.48 N ATOM 904 CA PRO A 61 6.730 9.947 3.255 1.00 0.55 C ATOM 905 C PRO A 61 5.205 9.858 3.172 1.00 0.49 C ATOM 906 O PRO A 61 4.645 9.327 2.196 1.00 0.43 O ATOM 907 CB PRO A 61 7.280 10.986 2.278 1.00 0.66 C ATOM 908 CG PRO A 61 8.533 10.383 1.758 1.00 0.70 C ATOM 909 CD PRO A 61 8.288 8.907 1.715 1.00 0.58 C ATOM 0 HA PRO A 61 6.953 10.193 4.293 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.573 11.187 1.473 1.00 0.66 H new ATOM 0 HB3 PRO A 61 7.474 11.936 2.777 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.771 10.769 0.767 1.00 0.70 H new ATOM 0 HG3 PRO A 61 9.379 10.620 2.404 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.861 8.596 0.761 1.00 0.58 H new ATOM 0 HD3 PRO A 61 9.209 8.341 1.852 1.00 0.58 H new ATOM 917 N ASP A 62 4.559 10.369 4.184 1.00 0.57 N ATOM 918 CA ASP A 62 3.118 10.261 4.361 1.00 0.56 C ATOM 919 C ASP A 62 2.290 10.813 3.190 1.00 0.48 C ATOM 920 O ASP A 62 1.336 10.169 2.763 1.00 0.46 O ATOM 921 CB ASP A 62 2.681 10.847 5.721 1.00 0.71 C ATOM 922 CG ASP A 62 3.039 12.301 5.922 1.00 1.23 C ATOM 923 OD1 ASP A 62 4.218 12.608 6.150 1.00 1.52 O ATOM 924 OD2 ASP A 62 2.132 13.174 5.816 1.00 1.98 O ATOM 0 H ASP A 62 5.021 10.886 4.932 1.00 0.57 H new ATOM 0 HA ASP A 62 2.897 9.194 4.365 1.00 0.56 H new ATOM 0 HB2 ASP A 62 1.601 10.735 5.820 1.00 0.71 H new ATOM 0 HB3 ASP A 62 3.137 10.260 6.518 1.00 0.71 H new ATOM 929 N ASP A 63 2.691 11.940 2.611 1.00 0.52 N ATOM 930 CA ASP A 63 1.927 12.539 1.486 1.00 0.56 C ATOM 931 C ASP A 63 1.995 11.663 0.230 1.00 0.50 C ATOM 932 O ASP A 63 1.073 11.645 -0.589 1.00 0.60 O ATOM 933 CB ASP A 63 2.412 13.965 1.168 1.00 0.71 C ATOM 934 CG ASP A 63 1.676 14.598 -0.006 1.00 1.56 C ATOM 935 OD1 ASP A 63 0.523 15.041 0.157 1.00 2.31 O ATOM 936 OD2 ASP A 63 2.234 14.672 -1.109 1.00 2.20 O ATOM 0 H ASP A 63 3.524 12.461 2.885 1.00 0.52 H new ATOM 0 HA ASP A 63 0.887 12.596 1.806 1.00 0.56 H new ATOM 0 HB2 ASP A 63 2.283 14.592 2.051 1.00 0.71 H new ATOM 0 HB3 ASP A 63 3.479 13.939 0.949 1.00 0.71 H new ATOM 941 N VAL A 64 3.057 10.886 0.125 1.00 0.46 N ATOM 942 CA VAL A 64 3.273 9.990 -1.011 1.00 0.48 C ATOM 943 C VAL A 64 2.236 8.870 -0.992 1.00 0.42 C ATOM 944 O VAL A 64 1.747 8.435 -2.029 1.00 0.46 O ATOM 945 CB VAL A 64 4.678 9.371 -0.946 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.934 8.449 -2.134 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.738 10.454 -0.890 1.00 0.63 C ATOM 0 H VAL A 64 3.800 10.854 0.823 1.00 0.46 H new ATOM 0 HA VAL A 64 3.177 10.569 -1.929 1.00 0.48 H new ATOM 0 HB VAL A 64 4.733 8.775 -0.035 1.00 0.54 H new ATOM 0 HG11 VAL A 64 5.936 8.027 -2.058 1.00 0.64 H new ATOM 0 HG12 VAL A 64 4.200 7.643 -2.134 1.00 0.64 H new ATOM 0 HG13 VAL A 64 4.849 9.017 -3.060 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.725 9.995 -0.844 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.669 11.077 -1.781 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.583 11.069 -0.004 1.00 0.63 H new ATOM 957 N ALA A 65 1.867 8.443 0.201 1.00 0.45 N ATOM 958 CA ALA A 65 0.868 7.401 0.362 1.00 0.46 C ATOM 959 C ALA A 65 -0.523 7.954 0.054 1.00 0.44 C ATOM 960 O ALA A 65 -1.472 7.218 -0.136 1.00 0.51 O ATOM 961 CB ALA A 65 0.930 6.814 1.751 1.00 0.56 C ATOM 0 H ALA A 65 2.246 8.803 1.077 1.00 0.45 H new ATOM 0 HA ALA A 65 1.079 6.598 -0.345 1.00 0.46 H new ATOM 0 HB1 ALA A 65 0.174 6.035 1.851 1.00 0.56 H new ATOM 0 HB2 ALA A 65 1.917 6.385 1.921 1.00 0.56 H new ATOM 0 HB3 ALA A 65 0.744 7.597 2.486 1.00 0.56 H new ATOM 967 N GLY A 66 -0.617 9.263 -0.004 1.00 0.48 N ATOM 968 CA GLY A 66 -1.838 9.904 -0.409 1.00 0.57 C ATOM 969 C GLY A 66 -1.827 10.157 -1.907 1.00 0.58 C ATOM 970 O GLY A 66 -2.770 10.690 -2.467 1.00 0.91 O ATOM 0 H GLY A 66 0.143 9.903 0.226 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -2.691 9.278 -0.145 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -1.957 10.847 0.125 1.00 0.57 H new ATOM 974 N ARG A 67 -0.736 9.775 -2.552 1.00 0.43 N ATOM 975 CA ARG A 67 -0.577 9.944 -3.987 1.00 0.48 C ATOM 976 C ARG A 67 -0.696 8.615 -4.710 1.00 0.45 C ATOM 977 O ARG A 67 -0.461 8.535 -5.922 1.00 0.63 O ATOM 978 CB ARG A 67 0.771 10.577 -4.331 1.00 0.59 C ATOM 979 CG ARG A 67 0.925 12.034 -3.955 1.00 1.35 C ATOM 980 CD ARG A 67 2.295 12.526 -4.374 1.00 1.46 C ATOM 981 NE ARG A 67 2.467 13.971 -4.211 1.00 2.35 N ATOM 982 CZ ARG A 67 3.482 14.670 -4.736 1.00 2.83 C ATOM 983 NH1 ARG A 67 4.506 14.032 -5.322 1.00 2.42 N ATOM 984 NH2 ARG A 67 3.503 15.995 -4.633 1.00 3.92 N ATOM 0 H ARG A 67 0.065 9.339 -2.095 1.00 0.43 H new ATOM 0 HA ARG A 67 -1.376 10.609 -4.316 1.00 0.48 H new ATOM 0 HB2 ARG A 67 1.557 10.007 -3.835 1.00 0.59 H new ATOM 0 HB3 ARG A 67 0.935 10.478 -5.404 1.00 0.59 H new ATOM 0 HG2 ARG A 67 0.150 12.629 -4.439 1.00 1.35 H new ATOM 0 HG3 ARG A 67 0.796 12.158 -2.880 1.00 1.35 H new ATOM 0 HD2 ARG A 67 3.054 12.008 -3.788 1.00 1.46 H new ATOM 0 HD3 ARG A 67 2.464 12.263 -5.418 1.00 1.46 H new ATOM 0 HE ARG A 67 1.771 14.477 -3.664 1.00 2.35 H new ATOM 0 HH11 ARG A 67 4.513 13.013 -5.368 1.00 2.42 H new ATOM 0 HH12 ARG A 67 5.278 14.566 -5.721 1.00 2.42 H new ATOM 0 HH21 ARG A 67 2.745 16.481 -4.154 1.00 3.92 H new ATOM 0 HH22 ARG A 67 4.277 16.525 -5.033 1.00 3.92 H new ATOM 998 N VAL A 68 -1.032 7.564 -3.990 1.00 0.39 N ATOM 999 CA VAL A 68 -1.191 6.285 -4.634 1.00 0.38 C ATOM 1000 C VAL A 68 -2.601 6.158 -5.191 1.00 0.43 C ATOM 1001 O VAL A 68 -3.587 6.028 -4.461 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.796 5.081 -3.717 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.689 5.115 -3.437 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.547 5.079 -2.406 1.00 0.36 C ATOM 0 H VAL A 68 -1.196 7.571 -2.983 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.488 6.242 -5.466 1.00 0.38 H new ATOM 0 HB VAL A 68 -1.064 4.171 -4.254 1.00 0.34 H new ATOM 0 HG11 VAL A 68 0.958 4.274 -2.798 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.238 5.047 -4.376 1.00 0.37 H new ATOM 0 HG13 VAL A 68 0.943 6.048 -2.935 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.234 4.222 -1.809 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.332 5.999 -1.862 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.618 5.014 -2.600 1.00 0.36 H new ATOM 1014 N ASP A 69 -2.681 6.299 -6.494 1.00 0.51 N ATOM 1015 CA ASP A 69 -3.942 6.250 -7.225 1.00 0.65 C ATOM 1016 C ASP A 69 -4.537 4.865 -7.185 1.00 0.52 C ATOM 1017 O ASP A 69 -5.728 4.687 -6.961 1.00 0.58 O ATOM 1018 CB ASP A 69 -3.719 6.653 -8.681 1.00 0.86 C ATOM 1019 CG ASP A 69 -4.992 6.725 -9.474 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -5.854 7.572 -9.163 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -5.174 5.911 -10.404 1.00 2.20 O ATOM 0 H ASP A 69 -1.868 6.453 -7.090 1.00 0.51 H new ATOM 0 HA ASP A 69 -4.632 6.946 -6.748 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -3.224 7.624 -8.711 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -3.045 5.937 -9.151 1.00 0.86 H new ATOM 1026 N THR A 70 -3.705 3.895 -7.398 1.00 0.42 N ATOM 1027 CA THR A 70 -4.120 2.529 -7.445 1.00 0.34 C ATOM 1028 C THR A 70 -3.183 1.685 -6.592 1.00 0.30 C ATOM 1029 O THR A 70 -2.114 2.169 -6.189 1.00 0.33 O ATOM 1030 CB THR A 70 -4.082 2.043 -8.904 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.794 2.369 -9.475 1.00 0.51 O ATOM 1032 CG2 THR A 70 -5.184 2.710 -9.705 1.00 0.48 C ATOM 0 H THR A 70 -2.705 4.031 -7.546 1.00 0.42 H new ATOM 0 HA THR A 70 -5.135 2.435 -7.058 1.00 0.34 H new ATOM 0 HB THR A 70 -4.235 0.964 -8.932 1.00 0.40 H new ATOM 0 HG1 THR A 70 -2.761 2.061 -10.405 1.00 0.51 H new ATOM 0 HG21 THR A 70 -5.148 2.359 -10.736 1.00 0.48 H new ATOM 0 HG22 THR A 70 -6.152 2.460 -9.270 1.00 0.48 H new ATOM 0 HG23 THR A 70 -5.045 3.791 -9.685 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.559 0.433 -6.262 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.686 -0.468 -5.509 1.00 0.33 C ATOM 1042 C PRO A 71 -1.397 -0.749 -6.276 1.00 0.32 C ATOM 1043 O PRO A 71 -0.363 -1.002 -5.684 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.523 -1.741 -5.361 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.924 -1.275 -5.509 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.873 -0.183 -6.528 1.00 0.35 C ATOM 0 HA PRO A 71 -2.375 -0.052 -4.551 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -3.266 -2.477 -6.122 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -3.361 -2.214 -4.392 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.576 -2.086 -5.834 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -5.319 -0.910 -4.561 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.942 -0.571 -7.544 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.689 0.529 -6.403 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.477 -0.662 -7.600 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.330 -0.841 -8.483 1.00 0.39 C ATOM 1056 C ARG A 72 0.714 0.231 -8.179 1.00 0.32 C ATOM 1057 O ARG A 72 1.905 -0.052 -8.069 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.795 -0.728 -9.928 1.00 0.52 C ATOM 1059 CG ARG A 72 0.257 -1.044 -10.974 1.00 0.93 C ATOM 1060 CD ARG A 72 -0.326 -0.899 -12.368 1.00 1.15 C ATOM 1061 NE ARG A 72 -1.531 -1.736 -12.540 1.00 1.31 N ATOM 1062 CZ ARG A 72 -2.721 -1.281 -12.960 1.00 1.78 C ATOM 1063 NH1 ARG A 72 -2.862 -0.022 -13.322 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -3.754 -2.092 -13.021 1.00 1.99 N ATOM 0 H ARG A 72 -2.347 -0.464 -8.094 1.00 0.34 H new ATOM 0 HA ARG A 72 0.116 -1.823 -8.325 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.641 -1.399 -10.074 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -1.159 0.285 -10.097 1.00 0.52 H new ATOM 0 HG2 ARG A 72 1.109 -0.374 -10.857 1.00 0.93 H new ATOM 0 HG3 ARG A 72 0.628 -2.059 -10.831 1.00 0.93 H new ATOM 0 HD2 ARG A 72 -0.578 0.146 -12.551 1.00 1.15 H new ATOM 0 HD3 ARG A 72 0.423 -1.181 -13.108 1.00 1.15 H new ATOM 0 HE ARG A 72 -1.453 -2.730 -12.324 1.00 1.31 H new ATOM 0 HH11 ARG A 72 -2.064 0.612 -13.284 1.00 2.53 H new ATOM 0 HH12 ARG A 72 -3.769 0.319 -13.641 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -3.652 -3.070 -12.749 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -4.658 -1.744 -13.341 1.00 1.99 H new ATOM 1078 N GLU A 73 0.223 1.446 -7.994 1.00 0.31 N ATOM 1079 CA GLU A 73 1.037 2.609 -7.658 1.00 0.32 C ATOM 1080 C GLU A 73 1.735 2.359 -6.312 1.00 0.26 C ATOM 1081 O GLU A 73 2.940 2.552 -6.166 1.00 0.30 O ATOM 1082 CB GLU A 73 0.098 3.819 -7.527 1.00 0.45 C ATOM 1083 CG GLU A 73 0.764 5.173 -7.411 1.00 0.53 C ATOM 1084 CD GLU A 73 1.438 5.584 -8.684 1.00 1.09 C ATOM 1085 OE1 GLU A 73 1.014 5.152 -9.759 1.00 1.51 O ATOM 1086 OE2 GLU A 73 2.451 6.306 -8.621 1.00 1.86 O ATOM 0 H GLU A 73 -0.771 1.658 -8.074 1.00 0.31 H new ATOM 0 HA GLU A 73 1.788 2.791 -8.426 1.00 0.32 H new ATOM 0 HB2 GLU A 73 -0.562 3.835 -8.394 1.00 0.45 H new ATOM 0 HB3 GLU A 73 -0.531 3.671 -6.650 1.00 0.45 H new ATOM 0 HG2 GLU A 73 0.019 5.920 -7.139 1.00 0.53 H new ATOM 0 HG3 GLU A 73 1.498 5.147 -6.606 1.00 0.53 H new ATOM 1093 N LEU A 74 0.951 1.873 -5.359 1.00 0.25 N ATOM 1094 CA LEU A 74 1.402 1.606 -3.997 1.00 0.26 C ATOM 1095 C LEU A 74 2.467 0.480 -4.015 1.00 0.24 C ATOM 1096 O LEU A 74 3.502 0.564 -3.337 1.00 0.27 O ATOM 1097 CB LEU A 74 0.164 1.201 -3.153 1.00 0.29 C ATOM 1098 CG LEU A 74 0.168 1.503 -1.637 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.160 1.096 -1.019 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.305 0.814 -0.913 1.00 1.14 C ATOM 0 H LEU A 74 -0.032 1.649 -5.512 1.00 0.25 H new ATOM 0 HA LEU A 74 1.863 2.490 -3.556 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.707 1.694 -3.586 1.00 0.29 H new ATOM 0 HB3 LEU A 74 0.017 0.128 -3.276 1.00 0.29 H new ATOM 0 HG LEU A 74 0.314 2.577 -1.525 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.146 1.313 0.049 1.00 1.30 H new ATOM 0 HD12 LEU A 74 -1.968 1.654 -1.492 1.00 1.30 H new ATOM 0 HD13 LEU A 74 -1.320 0.028 -1.170 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.262 1.059 0.148 1.00 1.14 H new ATOM 0 HD22 LEU A 74 1.217 -0.265 -1.040 1.00 1.14 H new ATOM 0 HD23 LEU A 74 2.256 1.151 -1.325 1.00 1.14 H new ATOM 1112 N LEU A 75 2.208 -0.545 -4.816 1.00 0.22 N ATOM 1113 CA LEU A 75 3.104 -1.688 -4.972 1.00 0.24 C ATOM 1114 C LEU A 75 4.451 -1.241 -5.516 1.00 0.23 C ATOM 1115 O LEU A 75 5.507 -1.558 -4.936 1.00 0.25 O ATOM 1116 CB LEU A 75 2.481 -2.723 -5.925 1.00 0.28 C ATOM 1117 CG LEU A 75 3.306 -3.987 -6.201 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.501 -4.798 -4.934 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.649 -4.827 -7.280 1.00 0.47 C ATOM 0 H LEU A 75 1.362 -0.609 -5.382 1.00 0.22 H new ATOM 0 HA LEU A 75 3.253 -2.143 -3.993 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.518 -3.027 -5.515 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.281 -2.232 -6.877 1.00 0.28 H new ATOM 0 HG LEU A 75 4.289 -3.678 -6.556 1.00 0.36 H new ATOM 0 HD11 LEU A 75 4.089 -5.688 -5.159 1.00 0.42 H new ATOM 0 HD12 LEU A 75 4.025 -4.195 -4.193 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.529 -5.095 -4.539 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.248 -5.719 -7.462 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.651 -5.121 -6.955 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.575 -4.246 -8.199 1.00 0.47 H new ATOM 1131 N ASP A 76 4.408 -0.475 -6.601 1.00 0.24 N ATOM 1132 CA ASP A 76 5.619 0.019 -7.262 1.00 0.30 C ATOM 1133 C ASP A 76 6.422 0.902 -6.320 1.00 0.28 C ATOM 1134 O ASP A 76 7.657 0.819 -6.278 1.00 0.31 O ATOM 1135 CB ASP A 76 5.279 0.786 -8.543 1.00 0.40 C ATOM 1136 CG ASP A 76 6.518 1.251 -9.284 1.00 0.57 C ATOM 1137 OD1 ASP A 76 7.077 0.475 -10.083 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.956 2.404 -9.093 1.00 0.64 O ATOM 0 H ASP A 76 3.540 -0.178 -7.048 1.00 0.24 H new ATOM 0 HA ASP A 76 6.224 -0.846 -7.534 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.685 0.149 -9.198 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.663 1.650 -8.294 1.00 0.40 H new ATOM 1143 N LEU A 77 5.714 1.722 -5.554 1.00 0.27 N ATOM 1144 CA LEU A 77 6.320 2.585 -4.549 1.00 0.29 C ATOM 1145 C LEU A 77 7.150 1.778 -3.556 1.00 0.28 C ATOM 1146 O LEU A 77 8.347 2.022 -3.395 1.00 0.33 O ATOM 1147 CB LEU A 77 5.242 3.386 -3.801 1.00 0.32 C ATOM 1148 CG LEU A 77 5.708 4.172 -2.563 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.743 5.236 -2.917 1.00 0.96 C ATOM 1150 CD2 LEU A 77 4.519 4.786 -1.848 1.00 0.63 C ATOM 0 H LEU A 77 4.699 1.807 -5.613 1.00 0.27 H new ATOM 0 HA LEU A 77 6.982 3.279 -5.066 1.00 0.29 H new ATOM 0 HB2 LEU A 77 4.791 4.089 -4.502 1.00 0.32 H new ATOM 0 HB3 LEU A 77 4.457 2.696 -3.492 1.00 0.32 H new ATOM 0 HG LEU A 77 6.195 3.467 -1.889 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.044 5.766 -2.013 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.615 4.760 -3.366 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.311 5.943 -3.625 1.00 0.96 H new ATOM 0 HD21 LEU A 77 4.865 5.339 -0.975 1.00 0.63 H new ATOM 0 HD22 LEU A 77 3.999 5.465 -2.524 1.00 0.63 H new ATOM 0 HD23 LEU A 77 3.838 3.996 -1.531 1.00 0.63 H new ATOM 1162 N ILE A 78 6.533 0.797 -2.923 1.00 0.25 N ATOM 1163 CA ILE A 78 7.233 0.023 -1.918 1.00 0.28 C ATOM 1164 C ILE A 78 8.317 -0.844 -2.546 1.00 0.30 C ATOM 1165 O ILE A 78 9.384 -0.998 -1.980 1.00 0.34 O ATOM 1166 CB ILE A 78 6.285 -0.815 -1.029 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.252 0.111 -0.386 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.080 -1.550 0.061 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.316 -0.575 0.568 1.00 0.51 C ATOM 0 H ILE A 78 5.564 0.521 -3.084 1.00 0.25 H new ATOM 0 HA ILE A 78 7.713 0.743 -1.255 1.00 0.28 H new ATOM 0 HB ILE A 78 5.780 -1.558 -1.646 1.00 0.34 H new ATOM 0 HG12 ILE A 78 5.775 0.906 0.145 1.00 0.40 H new ATOM 0 HG13 ILE A 78 4.666 0.585 -1.174 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.397 -2.135 0.677 1.00 0.40 H new ATOM 0 HG22 ILE A 78 7.808 -2.214 -0.405 1.00 0.40 H new ATOM 0 HG23 ILE A 78 7.600 -0.823 0.685 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.617 0.153 0.979 1.00 0.51 H new ATOM 0 HD12 ILE A 78 3.763 -1.351 0.040 1.00 0.51 H new ATOM 0 HD13 ILE A 78 4.889 -1.025 1.379 1.00 0.51 H new ATOM 1181 N ASN A 79 8.063 -1.370 -3.731 1.00 0.34 N ATOM 1182 CA ASN A 79 9.095 -2.151 -4.435 1.00 0.43 C ATOM 1183 C ASN A 79 10.305 -1.284 -4.762 1.00 0.46 C ATOM 1184 O ASN A 79 11.449 -1.721 -4.626 1.00 0.50 O ATOM 1185 CB ASN A 79 8.565 -2.863 -5.698 1.00 0.55 C ATOM 1186 CG ASN A 79 7.808 -4.169 -5.413 1.00 0.62 C ATOM 1187 OD1 ASN A 79 7.824 -5.089 -6.220 1.00 1.33 O ATOM 1188 ND2 ASN A 79 7.137 -4.267 -4.293 1.00 0.84 N ATOM 0 H ASN A 79 7.176 -1.281 -4.227 1.00 0.34 H new ATOM 0 HA ASN A 79 9.404 -2.940 -3.749 1.00 0.43 H new ATOM 0 HB2 ASN A 79 7.904 -2.183 -6.235 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.404 -3.079 -6.359 1.00 0.55 H new ATOM 0 HD21 ASN A 79 6.618 -5.119 -4.083 1.00 0.84 H new ATOM 0 HD22 ASN A 79 7.134 -3.491 -3.631 1.00 0.84 H new ATOM 1195 N GLY A 80 10.046 -0.043 -5.135 1.00 0.47 N ATOM 1196 CA GLY A 80 11.115 0.897 -5.406 1.00 0.56 C ATOM 1197 C GLY A 80 11.882 1.246 -4.145 1.00 0.55 C ATOM 1198 O GLY A 80 13.112 1.348 -4.160 1.00 0.63 O ATOM 0 H GLY A 80 9.106 0.335 -5.256 1.00 0.47 H new ATOM 0 HA2 GLY A 80 11.797 0.471 -6.142 1.00 0.56 H new ATOM 0 HA3 GLY A 80 10.700 1.805 -5.844 1.00 0.56 H new ATOM 1202 N ALA A 81 11.154 1.407 -3.052 1.00 0.49 N ATOM 1203 CA ALA A 81 11.742 1.701 -1.750 1.00 0.53 C ATOM 1204 C ALA A 81 12.585 0.520 -1.258 1.00 0.50 C ATOM 1205 O ALA A 81 13.682 0.698 -0.734 1.00 0.61 O ATOM 1206 CB ALA A 81 10.650 2.039 -0.743 1.00 0.53 C ATOM 0 H ALA A 81 10.136 1.338 -3.040 1.00 0.49 H new ATOM 0 HA ALA A 81 12.398 2.565 -1.853 1.00 0.53 H new ATOM 0 HB1 ALA A 81 11.102 2.256 0.225 1.00 0.53 H new ATOM 0 HB2 ALA A 81 10.094 2.911 -1.088 1.00 0.53 H new ATOM 0 HB3 ALA A 81 9.971 1.192 -0.644 1.00 0.53 H new ATOM 1212 N LEU A 82 12.075 -0.691 -1.476 1.00 0.42 N ATOM 1213 CA LEU A 82 12.758 -1.932 -1.093 1.00 0.44 C ATOM 1214 C LEU A 82 14.031 -2.157 -1.901 1.00 0.56 C ATOM 1215 O LEU A 82 14.895 -2.939 -1.505 1.00 0.74 O ATOM 1216 CB LEU A 82 11.825 -3.141 -1.217 1.00 0.40 C ATOM 1217 CG LEU A 82 10.683 -3.216 -0.202 1.00 0.38 C ATOM 1218 CD1 LEU A 82 9.737 -4.339 -0.562 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.234 -3.435 1.197 1.00 0.46 C ATOM 0 H LEU A 82 11.172 -0.843 -1.925 1.00 0.42 H new ATOM 0 HA LEU A 82 13.045 -1.823 -0.047 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.395 -3.141 -2.218 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.424 -4.047 -1.127 1.00 0.40 H new ATOM 0 HG LEU A 82 10.138 -2.272 -0.223 1.00 0.38 H new ATOM 0 HD11 LEU A 82 8.929 -4.382 0.168 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.321 -4.161 -1.554 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.278 -5.285 -0.560 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.410 -3.486 1.909 1.00 0.46 H new ATOM 0 HD22 LEU A 82 11.796 -4.369 1.225 1.00 0.46 H new ATOM 0 HD23 LEU A 82 11.892 -2.607 1.463 1.00 0.46 H new ATOM 1231 N ALA A 83 14.158 -1.457 -3.015 1.00 0.56 N ATOM 1232 CA ALA A 83 15.360 -1.530 -3.831 1.00 0.71 C ATOM 1233 C ALA A 83 16.498 -0.749 -3.164 1.00 0.84 C ATOM 1234 O ALA A 83 17.661 -0.862 -3.555 1.00 1.00 O ATOM 1235 CB ALA A 83 15.094 -1.010 -5.236 1.00 0.78 C ATOM 0 H ALA A 83 13.441 -0.829 -3.377 1.00 0.56 H new ATOM 0 HA ALA A 83 15.660 -2.575 -3.915 1.00 0.71 H new ATOM 0 HB1 ALA A 83 16.008 -1.075 -5.827 1.00 0.78 H new ATOM 0 HB2 ALA A 83 14.315 -1.611 -5.705 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.769 0.029 -5.184 1.00 0.78 H new ATOM 1241 N GLU A 84 16.149 0.052 -2.160 1.00 0.89 N ATOM 1242 CA GLU A 84 17.126 0.796 -1.372 1.00 1.12 C ATOM 1243 C GLU A 84 17.200 0.239 0.035 1.00 1.10 C ATOM 1244 O GLU A 84 17.927 0.759 0.881 1.00 1.37 O ATOM 1245 CB GLU A 84 16.763 2.270 -1.270 1.00 1.34 C ATOM 1246 CG GLU A 84 16.834 3.046 -2.554 1.00 1.96 C ATOM 1247 CD GLU A 84 16.610 4.511 -2.305 1.00 2.48 C ATOM 1248 OE1 GLU A 84 17.369 5.105 -1.520 1.00 3.17 O ATOM 1249 OE2 GLU A 84 15.643 5.097 -2.862 1.00 2.77 O ATOM 0 H GLU A 84 15.183 0.203 -1.871 1.00 0.89 H new ATOM 0 HA GLU A 84 18.085 0.694 -1.880 1.00 1.12 H new ATOM 0 HB2 GLU A 84 15.751 2.350 -0.874 1.00 1.34 H new ATOM 0 HB3 GLU A 84 17.427 2.740 -0.545 1.00 1.34 H new ATOM 0 HG2 GLU A 84 17.807 2.897 -3.021 1.00 1.96 H new ATOM 0 HG3 GLU A 84 16.085 2.672 -3.252 1.00 1.96 H new ATOM 1256 N ALA A 85 16.444 -0.796 0.285 1.00 1.08 N ATOM 1257 CA ALA A 85 16.386 -1.384 1.598 1.00 1.24 C ATOM 1258 C ALA A 85 17.515 -2.375 1.764 1.00 1.57 C ATOM 1259 O ALA A 85 17.538 -3.430 1.112 1.00 1.86 O ATOM 1260 CB ALA A 85 15.036 -2.043 1.831 1.00 1.36 C ATOM 0 H ALA A 85 15.854 -1.254 -0.410 1.00 1.08 H new ATOM 0 HA ALA A 85 16.502 -0.599 2.346 1.00 1.24 H new ATOM 0 HB1 ALA A 85 15.012 -2.481 2.829 1.00 1.36 H new ATOM 0 HB2 ALA A 85 14.247 -1.296 1.744 1.00 1.36 H new ATOM 0 HB3 ALA A 85 14.880 -2.825 1.088 1.00 1.36 H new