USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 550 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 26 TYR OH : rot -8:sc= 1.27 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 1.04 USER MOD Single : A 7 THR OG1 : rot 170:sc= 0 USER MOD Single : A 11 MET CE :methyl -173:sc= 0 (180deg=-0.0981) USER MOD Single : A 12 THR OG1 : rot 90:sc=-0.00182 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -5:sc= 1.23 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.14) USER MOD Single : A 63 SER OG : rot -130:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0755 X(o=-0.076,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 3 3.988 0.026 6.179 1.00 0.00 N ATOM 71 CA LEU A 3 3.864 -1.200 7.001 1.00 0.00 C ATOM 72 C LEU A 3 4.114 -2.480 6.169 1.00 0.00 C ATOM 73 O LEU A 3 4.061 -2.426 4.946 1.00 0.00 O ATOM 74 CB LEU A 3 2.457 -1.270 7.640 1.00 0.00 C ATOM 75 CG LEU A 3 2.166 -0.461 8.922 1.00 0.00 C ATOM 76 CD1 LEU A 3 3.242 -0.649 9.999 1.00 0.00 C ATOM 77 CD2 LEU A 3 1.893 1.029 8.703 1.00 0.00 C ATOM 0 HA LEU A 3 4.625 -1.148 7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.738 -0.954 6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.249 -2.317 7.860 1.00 0.00 H new ATOM 0 HG LEU A 3 1.230 -0.891 9.279 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.985 -0.057 10.877 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.300 -1.702 10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.207 -0.322 9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.700 1.508 9.663 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.761 1.493 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.024 1.148 8.057 1.00 0.00 H new ATOM 89 N ARG A 4 4.370 -3.638 6.809 1.00 0.00 N ATOM 90 CA ARG A 4 4.719 -4.925 6.151 1.00 0.00 C ATOM 91 C ARG A 4 3.488 -5.810 5.898 1.00 0.00 C ATOM 92 O ARG A 4 2.482 -5.660 6.593 1.00 0.00 O ATOM 93 CB ARG A 4 5.727 -5.701 7.027 1.00 0.00 C ATOM 94 CG ARG A 4 7.043 -4.939 7.290 1.00 0.00 C ATOM 95 CD ARG A 4 7.503 -5.010 8.752 1.00 0.00 C ATOM 96 NE ARG A 4 8.252 -6.242 9.070 1.00 0.00 N ATOM 97 CZ ARG A 4 8.850 -6.500 10.229 1.00 0.00 C ATOM 98 NH1 ARG A 4 8.689 -5.723 11.276 1.00 0.00 N ATOM 99 NH2 ARG A 4 9.635 -7.544 10.360 1.00 0.00 N ATOM 0 H ARG A 4 4.340 -3.712 7.826 1.00 0.00 H new ATOM 0 HA ARG A 4 5.158 -4.681 5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.258 -5.936 7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.958 -6.650 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.825 -5.347 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.913 -3.894 7.008 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.130 -4.145 8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.631 -4.945 9.403 1.00 0.00 H new ATOM 0 HE ARG A 4 8.316 -6.953 8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.093 -4.898 11.212 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.160 -5.945 12.153 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.791 -8.167 9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.089 -7.732 11.254 1.00 0.00 H new ATOM 113 N ILE A 5 3.591 -6.819 5.009 1.00 0.00 N ATOM 114 CA ILE A 5 2.499 -7.803 4.798 1.00 0.00 C ATOM 115 C ILE A 5 2.037 -8.456 6.108 1.00 0.00 C ATOM 116 O ILE A 5 0.838 -8.631 6.319 1.00 0.00 O ATOM 117 CB ILE A 5 2.838 -8.887 3.735 1.00 0.00 C ATOM 118 CG1 ILE A 5 1.552 -9.531 3.158 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.754 -10.010 4.256 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.803 -8.625 2.174 1.00 0.00 C ATOM 0 H ILE A 5 4.413 -6.977 4.426 1.00 0.00 H new ATOM 0 HA ILE A 5 1.669 -7.218 4.401 1.00 0.00 H new ATOM 0 HB ILE A 5 3.381 -8.350 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.815 -10.461 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.885 -9.791 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.943 -10.726 3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.699 -9.583 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.269 -10.518 5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.086 -9.140 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.509 -7.705 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.453 -8.385 1.333 1.00 0.00 H new ATOM 132 N ARG A 6 2.981 -8.753 7.015 1.00 0.00 N ATOM 133 CA ARG A 6 2.716 -9.300 8.349 1.00 0.00 C ATOM 134 C ARG A 6 1.752 -8.410 9.136 1.00 0.00 C ATOM 135 O ARG A 6 0.832 -8.935 9.756 1.00 0.00 O ATOM 136 CB ARG A 6 4.047 -9.541 9.101 1.00 0.00 C ATOM 137 CG ARG A 6 4.214 -11.005 9.546 1.00 0.00 C ATOM 138 CD ARG A 6 3.332 -11.376 10.749 1.00 0.00 C ATOM 139 NE ARG A 6 3.110 -12.834 10.837 1.00 0.00 N ATOM 140 CZ ARG A 6 3.962 -13.782 11.213 1.00 0.00 C ATOM 141 NH1 ARG A 6 5.181 -13.508 11.618 1.00 0.00 N ATOM 142 NH2 ARG A 6 3.594 -15.041 11.183 1.00 0.00 N ATOM 0 H ARG A 6 3.975 -8.615 6.833 1.00 0.00 H new ATOM 0 HA ARG A 6 2.220 -10.265 8.240 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.881 -9.263 8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.090 -8.891 9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.973 -11.662 8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.259 -11.184 9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.802 -11.024 11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.372 -10.866 10.667 1.00 0.00 H new ATOM 0 HE ARG A 6 2.179 -13.156 10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.502 -12.540 11.652 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.807 -14.263 11.899 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.655 -15.291 10.871 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.247 -15.770 11.471 1.00 0.00 H new ATOM 156 N THR A 7 1.925 -7.084 9.067 1.00 0.00 N ATOM 157 CA THR A 7 1.046 -6.086 9.684 1.00 0.00 C ATOM 158 C THR A 7 -0.333 -6.044 9.018 1.00 0.00 C ATOM 159 O THR A 7 -1.336 -6.013 9.727 1.00 0.00 O ATOM 160 CB THR A 7 1.670 -4.682 9.636 1.00 0.00 C ATOM 161 OG1 THR A 7 2.986 -4.690 10.147 1.00 0.00 O ATOM 162 CG2 THR A 7 0.857 -3.693 10.474 1.00 0.00 C ATOM 0 H THR A 7 2.706 -6.664 8.564 1.00 0.00 H new ATOM 0 HA THR A 7 0.923 -6.391 10.723 1.00 0.00 H new ATOM 0 HB THR A 7 1.676 -4.379 8.589 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.415 -3.829 9.959 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.319 -2.707 10.423 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.160 -3.637 10.086 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.832 -4.029 11.511 1.00 0.00 H new ATOM 170 N ILE A 8 -0.398 -6.068 7.678 1.00 0.00 N ATOM 171 CA ILE A 8 -1.676 -6.121 6.945 1.00 0.00 C ATOM 172 C ILE A 8 -2.461 -7.372 7.358 1.00 0.00 C ATOM 173 O ILE A 8 -3.622 -7.289 7.759 1.00 0.00 O ATOM 174 CB ILE A 8 -1.476 -6.080 5.409 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.620 -4.865 4.990 1.00 0.00 C ATOM 176 CG2 ILE A 8 -2.851 -6.037 4.715 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.468 -4.668 3.475 1.00 0.00 C ATOM 0 H ILE A 8 0.425 -6.051 7.075 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.248 -5.232 7.210 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.943 -6.980 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.062 -3.964 5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.372 -4.970 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.712 -6.008 3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.422 -6.926 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.393 -5.147 5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.149 -3.790 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.006 -5.548 3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.451 -4.526 3.026 1.00 0.00 H new ATOM 189 N ALA A 9 -1.813 -8.537 7.292 1.00 0.00 N ATOM 190 CA ALA A 9 -2.394 -9.815 7.670 1.00 0.00 C ATOM 191 C ALA A 9 -2.846 -9.840 9.140 1.00 0.00 C ATOM 192 O ALA A 9 -3.948 -10.308 9.437 1.00 0.00 O ATOM 193 CB ALA A 9 -1.360 -10.897 7.370 1.00 0.00 C ATOM 0 H ALA A 9 -0.849 -8.614 6.967 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.301 -9.993 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.764 -11.872 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.121 -10.887 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.455 -10.705 7.947 1.00 0.00 H new ATOM 199 N ARG A 10 -2.033 -9.272 10.049 1.00 0.00 N ATOM 200 CA ARG A 10 -2.318 -9.097 11.484 1.00 0.00 C ATOM 201 C ARG A 10 -3.611 -8.346 11.811 1.00 0.00 C ATOM 202 O ARG A 10 -4.031 -8.415 12.963 1.00 0.00 O ATOM 203 CB ARG A 10 -1.118 -8.422 12.179 1.00 0.00 C ATOM 204 CG ARG A 10 -0.132 -9.452 12.747 1.00 0.00 C ATOM 205 CD ARG A 10 -0.599 -9.885 14.143 1.00 0.00 C ATOM 206 NE ARG A 10 0.045 -11.133 14.588 1.00 0.00 N ATOM 207 CZ ARG A 10 -0.006 -11.643 15.813 1.00 0.00 C ATOM 208 NH1 ARG A 10 -0.567 -10.997 16.809 1.00 0.00 N ATOM 209 NH2 ARG A 10 0.505 -12.826 16.059 1.00 0.00 N ATOM 0 H ARG A 10 -1.117 -8.906 9.791 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.476 -10.104 11.869 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.601 -7.779 11.467 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.478 -7.782 12.984 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.071 -10.317 12.087 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.868 -9.023 12.803 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.381 -9.092 14.858 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.681 -10.020 14.136 1.00 0.00 H new ATOM 0 HE ARG A 10 0.579 -11.653 13.891 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.979 -10.077 16.653 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.591 -11.415 17.739 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.944 -13.358 15.308 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.463 -13.214 17.002 1.00 0.00 H new ATOM 223 N MET A 11 -4.283 -7.712 10.840 1.00 0.00 N ATOM 224 CA MET A 11 -5.657 -7.237 11.025 1.00 0.00 C ATOM 225 C MET A 11 -6.619 -8.357 11.452 1.00 0.00 C ATOM 226 O MET A 11 -7.507 -8.095 12.259 1.00 0.00 O ATOM 227 CB MET A 11 -6.191 -6.587 9.741 1.00 0.00 C ATOM 228 CG MET A 11 -5.540 -5.239 9.421 1.00 0.00 C ATOM 229 SD MET A 11 -6.268 -4.443 7.961 1.00 0.00 S ATOM 230 CE MET A 11 -5.450 -2.832 8.051 1.00 0.00 C ATOM 0 H MET A 11 -3.894 -7.517 9.917 1.00 0.00 H new ATOM 0 HA MET A 11 -5.615 -6.500 11.827 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.029 -7.267 8.905 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.268 -6.448 9.835 1.00 0.00 H new ATOM 0 HG2 MET A 11 -5.643 -4.577 10.281 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.472 -5.385 9.257 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.873 -2.166 7.299 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.600 -2.402 9.041 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.383 -2.955 7.867 1.00 0.00 H new ATOM 240 N THR A 12 -6.477 -9.581 10.912 1.00 0.00 N ATOM 241 CA THR A 12 -7.375 -10.713 11.235 1.00 0.00 C ATOM 242 C THR A 12 -6.747 -12.110 11.167 1.00 0.00 C ATOM 243 O THR A 12 -7.378 -13.069 11.608 1.00 0.00 O ATOM 244 CB THR A 12 -8.603 -10.760 10.305 1.00 0.00 C ATOM 245 OG1 THR A 12 -8.210 -11.069 8.987 1.00 0.00 O ATOM 246 CG2 THR A 12 -9.441 -9.483 10.246 1.00 0.00 C ATOM 0 H THR A 12 -5.743 -9.816 10.244 1.00 0.00 H new ATOM 0 HA THR A 12 -7.637 -10.501 12.271 1.00 0.00 H new ATOM 0 HB THR A 12 -9.233 -11.532 10.747 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.219 -12.041 8.862 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.278 -9.628 9.563 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.821 -9.251 11.241 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.823 -8.658 9.892 1.00 0.00 H new ATOM 254 N GLY A 13 -5.565 -12.281 10.567 1.00 0.00 N ATOM 255 CA GLY A 13 -4.982 -13.589 10.253 1.00 0.00 C ATOM 256 C GLY A 13 -5.678 -14.305 9.089 1.00 0.00 C ATOM 257 O GLY A 13 -4.994 -14.763 8.181 1.00 0.00 O ATOM 0 H GLY A 13 -4.976 -11.499 10.281 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.927 -13.459 10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.030 -14.222 11.139 1.00 0.00 H new ATOM 261 N ILE A 14 -7.018 -14.370 9.060 1.00 0.00 N ATOM 262 CA ILE A 14 -7.794 -15.076 8.015 1.00 0.00 C ATOM 263 C ILE A 14 -7.425 -14.588 6.606 1.00 0.00 C ATOM 264 O ILE A 14 -7.357 -15.369 5.658 1.00 0.00 O ATOM 265 CB ILE A 14 -9.334 -15.070 8.280 1.00 0.00 C ATOM 266 CG1 ILE A 14 -10.206 -14.040 7.513 1.00 0.00 C ATOM 267 CG2 ILE A 14 -9.664 -14.922 9.780 1.00 0.00 C ATOM 268 CD1 ILE A 14 -10.505 -14.390 6.045 1.00 0.00 C ATOM 0 H ILE A 14 -7.605 -13.930 9.768 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.503 -16.125 8.070 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.605 -16.047 7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.153 -13.926 8.041 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.706 -13.072 7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.745 -14.923 9.916 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.228 -15.754 10.332 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.252 -13.984 10.152 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.120 -13.607 5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.569 -14.472 5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.038 -15.339 5.999 1.00 0.00 H new ATOM 280 N ARG A 15 -7.134 -13.284 6.489 1.00 0.00 N ATOM 281 CA ARG A 15 -6.714 -12.616 5.255 1.00 0.00 C ATOM 282 C ARG A 15 -5.349 -13.082 4.755 1.00 0.00 C ATOM 283 O ARG A 15 -5.080 -12.948 3.569 1.00 0.00 O ATOM 284 CB ARG A 15 -6.676 -11.098 5.489 1.00 0.00 C ATOM 285 CG ARG A 15 -8.074 -10.533 5.768 1.00 0.00 C ATOM 286 CD ARG A 15 -7.987 -9.114 6.348 1.00 0.00 C ATOM 287 NE ARG A 15 -9.305 -8.644 6.817 1.00 0.00 N ATOM 288 CZ ARG A 15 -9.595 -7.439 7.289 1.00 0.00 C ATOM 289 NH1 ARG A 15 -8.686 -6.500 7.385 1.00 0.00 N ATOM 290 NH2 ARG A 15 -10.816 -7.159 7.680 1.00 0.00 N ATOM 0 H ARG A 15 -7.188 -12.645 7.282 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.442 -12.877 4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.019 -10.876 6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.252 -10.605 4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.655 -10.518 4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.601 -11.184 6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.278 -9.100 7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.604 -8.432 5.589 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.072 -9.315 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.727 -6.687 7.093 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.938 -5.582 7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.546 -7.869 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.035 -6.231 8.042 1.00 0.00 H new ATOM 304 N GLU A 16 -4.486 -13.629 5.610 1.00 0.00 N ATOM 305 CA GLU A 16 -3.099 -13.968 5.281 1.00 0.00 C ATOM 306 C GLU A 16 -2.997 -15.003 4.151 1.00 0.00 C ATOM 307 O GLU A 16 -2.246 -14.804 3.194 1.00 0.00 O ATOM 308 CB GLU A 16 -2.411 -14.439 6.566 1.00 0.00 C ATOM 309 CG GLU A 16 -0.880 -14.414 6.464 1.00 0.00 C ATOM 310 CD GLU A 16 -0.304 -15.821 6.573 1.00 0.00 C ATOM 311 OE1 GLU A 16 -0.802 -16.695 5.824 1.00 0.00 O ATOM 312 OE2 GLU A 16 0.657 -16.010 7.348 1.00 0.00 O ATOM 0 H GLU A 16 -4.736 -13.855 6.573 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.591 -13.084 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.726 -13.805 7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.739 -15.452 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.582 -13.967 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.469 -13.786 7.255 1.00 0.00 H new ATOM 319 N ALA A 17 -3.834 -16.046 4.212 1.00 0.00 N ATOM 320 CA ALA A 17 -3.995 -17.045 3.158 1.00 0.00 C ATOM 321 C ALA A 17 -4.419 -16.419 1.817 1.00 0.00 C ATOM 322 O ALA A 17 -3.960 -16.843 0.759 1.00 0.00 O ATOM 323 CB ALA A 17 -5.027 -18.073 3.642 1.00 0.00 C ATOM 0 H ALA A 17 -4.433 -16.220 5.020 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.036 -17.527 2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.170 -18.834 2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.670 -18.543 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.975 -17.572 3.837 1.00 0.00 H new ATOM 329 N THR A 18 -5.268 -15.386 1.863 1.00 0.00 N ATOM 330 CA THR A 18 -5.728 -14.620 0.700 1.00 0.00 C ATOM 331 C THR A 18 -4.631 -13.683 0.172 1.00 0.00 C ATOM 332 O THR A 18 -4.364 -13.680 -1.025 1.00 0.00 O ATOM 333 CB THR A 18 -7.024 -13.886 1.087 1.00 0.00 C ATOM 334 OG1 THR A 18 -8.081 -14.817 1.083 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.422 -12.756 0.155 1.00 0.00 C ATOM 0 H THR A 18 -5.667 -15.050 2.740 1.00 0.00 H new ATOM 0 HA THR A 18 -5.948 -15.290 -0.131 1.00 0.00 H new ATOM 0 HB THR A 18 -6.832 -13.443 2.064 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.915 -14.366 1.329 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.346 -12.300 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.632 -12.005 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.574 -13.150 -0.850 1.00 0.00 H new ATOM 343 N LEU A 19 -3.954 -12.938 1.053 1.00 0.00 N ATOM 344 CA LEU A 19 -2.834 -12.045 0.745 1.00 0.00 C ATOM 345 C LEU A 19 -1.685 -12.796 0.053 1.00 0.00 C ATOM 346 O LEU A 19 -1.254 -12.403 -1.033 1.00 0.00 O ATOM 347 CB LEU A 19 -2.354 -11.374 2.049 1.00 0.00 C ATOM 348 CG LEU A 19 -3.339 -10.343 2.639 1.00 0.00 C ATOM 349 CD1 LEU A 19 -3.032 -10.067 4.115 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.285 -9.003 1.910 1.00 0.00 C ATOM 0 H LEU A 19 -4.184 -12.942 2.047 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.173 -11.280 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.169 -12.148 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.401 -10.880 1.859 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.329 -10.784 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.742 -9.337 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.116 -10.993 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.020 -9.674 4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.997 -8.313 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.280 -8.588 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.540 -9.149 0.860 1.00 0.00 H new ATOM 362 N ARG A 20 -1.200 -13.891 0.661 1.00 0.00 N ATOM 363 CA ARG A 20 -0.138 -14.723 0.077 1.00 0.00 C ATOM 364 C ARG A 20 -0.583 -15.415 -1.215 1.00 0.00 C ATOM 365 O ARG A 20 0.220 -15.531 -2.138 1.00 0.00 O ATOM 366 CB ARG A 20 0.392 -15.740 1.102 1.00 0.00 C ATOM 367 CG ARG A 20 1.107 -15.052 2.280 1.00 0.00 C ATOM 368 CD ARG A 20 1.887 -16.047 3.152 1.00 0.00 C ATOM 369 NE ARG A 20 1.004 -16.993 3.853 1.00 0.00 N ATOM 370 CZ ARG A 20 1.182 -18.277 4.122 1.00 0.00 C ATOM 371 NH1 ARG A 20 2.206 -18.965 3.679 1.00 0.00 N ATOM 372 NH2 ARG A 20 0.305 -18.877 4.885 1.00 0.00 N ATOM 0 H ARG A 20 -1.532 -14.222 1.567 1.00 0.00 H new ATOM 0 HA ARG A 20 0.679 -14.054 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.436 -16.339 1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.082 -16.425 0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.791 -14.296 1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.372 -14.533 2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.587 -16.602 2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.480 -15.498 3.883 1.00 0.00 H new ATOM 0 HE ARG A 20 0.122 -16.600 4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.912 -18.512 3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.297 -19.953 3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.490 -18.356 5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.416 -19.866 5.109 1.00 0.00 H new ATOM 386 N ALA A 21 -1.859 -15.813 -1.330 1.00 0.00 N ATOM 387 CA ALA A 21 -2.417 -16.279 -2.598 1.00 0.00 C ATOM 388 C ALA A 21 -2.370 -15.182 -3.671 1.00 0.00 C ATOM 389 O ALA A 21 -1.861 -15.435 -4.763 1.00 0.00 O ATOM 390 CB ALA A 21 -3.839 -16.813 -2.396 1.00 0.00 C ATOM 0 H ALA A 21 -2.522 -15.819 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.798 -17.101 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.238 -17.155 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.819 -17.645 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.473 -16.019 -2.001 1.00 0.00 H new ATOM 396 N TRP A 22 -2.852 -13.964 -3.381 1.00 0.00 N ATOM 397 CA TRP A 22 -2.848 -12.859 -4.343 1.00 0.00 C ATOM 398 C TRP A 22 -1.468 -12.546 -4.906 1.00 0.00 C ATOM 399 O TRP A 22 -1.379 -12.272 -6.101 1.00 0.00 O ATOM 400 CB TRP A 22 -3.388 -11.572 -3.745 1.00 0.00 C ATOM 401 CG TRP A 22 -4.806 -11.509 -3.306 1.00 0.00 C ATOM 402 CD1 TRP A 22 -5.836 -12.245 -3.778 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.374 -10.575 -2.346 1.00 0.00 C ATOM 404 NE1 TRP A 22 -7.005 -11.809 -3.191 1.00 0.00 N ATOM 405 CE2 TRP A 22 -6.779 -10.770 -2.318 1.00 0.00 C ATOM 406 CE3 TRP A 22 -4.849 -9.563 -1.519 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.619 -10.001 -1.510 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -5.687 -8.785 -0.700 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.075 -9.003 -0.687 1.00 0.00 C ATOM 0 H TRP A 22 -3.254 -13.721 -2.475 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.495 -13.212 -5.147 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.768 -11.327 -2.883 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.238 -10.782 -4.481 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.757 -13.045 -4.499 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.924 -12.208 -3.381 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.784 -9.381 -1.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.685 -10.174 -1.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.260 -8.014 -0.076 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -7.715 -8.410 -0.051 1.00 0.00 H new ATOM 420 N GLU A 23 -0.406 -12.638 -4.099 1.00 0.00 N ATOM 421 CA GLU A 23 0.984 -12.500 -4.560 1.00 0.00 C ATOM 422 C GLU A 23 1.300 -13.398 -5.771 1.00 0.00 C ATOM 423 O GLU A 23 2.076 -13.004 -6.640 1.00 0.00 O ATOM 424 CB GLU A 23 1.945 -12.721 -3.370 1.00 0.00 C ATOM 425 CG GLU A 23 2.994 -13.837 -3.552 1.00 0.00 C ATOM 426 CD GLU A 23 3.894 -13.985 -2.326 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.282 -12.920 -1.787 1.00 0.00 O ATOM 428 OE2 GLU A 23 4.226 -15.139 -1.977 1.00 0.00 O ATOM 0 H GLU A 23 -0.485 -12.812 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 23 1.130 -11.485 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.468 -11.786 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.351 -12.948 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.487 -14.782 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.607 -13.619 -4.427 1.00 0.00 H new ATOM 435 N ARG A 24 0.664 -14.577 -5.846 1.00 0.00 N ATOM 436 CA ARG A 24 0.812 -15.562 -6.922 1.00 0.00 C ATOM 437 C ARG A 24 -0.333 -15.523 -7.946 1.00 0.00 C ATOM 438 O ARG A 24 -0.195 -16.086 -9.029 1.00 0.00 O ATOM 439 CB ARG A 24 0.920 -16.948 -6.262 1.00 0.00 C ATOM 440 CG ARG A 24 1.770 -17.924 -7.084 1.00 0.00 C ATOM 441 CD ARG A 24 1.845 -19.289 -6.381 1.00 0.00 C ATOM 442 NE ARG A 24 3.225 -19.808 -6.316 1.00 0.00 N ATOM 443 CZ ARG A 24 4.176 -19.441 -5.461 1.00 0.00 C ATOM 444 NH1 ARG A 24 3.985 -18.507 -4.556 1.00 0.00 N ATOM 445 NH2 ARG A 24 5.353 -20.019 -5.510 1.00 0.00 N ATOM 0 H ARG A 24 0.006 -14.880 -5.128 1.00 0.00 H new ATOM 0 HA ARG A 24 1.709 -15.327 -7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.354 -16.841 -5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.079 -17.363 -6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.340 -18.043 -8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.774 -17.520 -7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.445 -19.198 -5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.215 -20.003 -6.910 1.00 0.00 H new ATOM 0 HE ARG A 24 3.476 -20.523 -6.998 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.083 -18.036 -4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.739 -18.253 -3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.536 -20.746 -6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.085 -19.741 -4.857 1.00 0.00 H new ATOM 459 N ARG A 25 -1.456 -14.873 -7.608 1.00 0.00 N ATOM 460 CA ARG A 25 -2.726 -14.885 -8.355 1.00 0.00 C ATOM 461 C ARG A 25 -2.993 -13.590 -9.139 1.00 0.00 C ATOM 462 O ARG A 25 -3.633 -13.658 -10.183 1.00 0.00 O ATOM 463 CB ARG A 25 -3.852 -15.216 -7.355 1.00 0.00 C ATOM 464 CG ARG A 25 -5.110 -15.863 -7.948 1.00 0.00 C ATOM 465 CD ARG A 25 -6.058 -16.231 -6.793 1.00 0.00 C ATOM 466 NE ARG A 25 -7.202 -17.043 -7.238 1.00 0.00 N ATOM 467 CZ ARG A 25 -8.019 -17.745 -6.459 1.00 0.00 C ATOM 468 NH1 ARG A 25 -7.930 -17.712 -5.148 1.00 0.00 N ATOM 469 NH2 ARG A 25 -8.944 -18.511 -6.986 1.00 0.00 N ATOM 0 H ARG A 25 -1.508 -14.297 -6.768 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.675 -15.649 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.449 -15.883 -6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.145 -14.295 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.601 -15.176 -8.637 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.845 -16.753 -8.519 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.502 -16.779 -6.032 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.425 -15.318 -6.324 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.386 -17.070 -8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.218 -17.135 -4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.573 -18.263 -4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.040 -18.571 -8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.567 -19.047 -6.382 1.00 0.00 H new ATOM 483 N TYR A 26 -2.489 -12.438 -8.667 1.00 0.00 N ATOM 484 CA TYR A 26 -2.627 -11.117 -9.315 1.00 0.00 C ATOM 485 C TYR A 26 -1.455 -10.152 -9.051 1.00 0.00 C ATOM 486 O TYR A 26 -1.128 -9.346 -9.918 1.00 0.00 O ATOM 487 CB TYR A 26 -3.902 -10.395 -8.838 1.00 0.00 C ATOM 488 CG TYR A 26 -5.162 -11.231 -8.796 1.00 0.00 C ATOM 489 CD1 TYR A 26 -5.976 -11.368 -9.938 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.504 -11.888 -7.602 1.00 0.00 C ATOM 491 CE1 TYR A 26 -7.124 -12.183 -9.893 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.643 -12.708 -7.557 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.450 -12.869 -8.701 1.00 0.00 C ATOM 494 OH TYR A 26 -8.528 -13.697 -8.644 1.00 0.00 O ATOM 0 H TYR A 26 -1.957 -12.396 -7.797 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.658 -11.350 -10.379 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.719 -9.999 -7.839 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.078 -9.541 -9.492 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.719 -10.848 -10.849 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.892 -11.763 -6.721 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.752 -12.283 -10.766 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.902 -13.218 -6.641 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.049 -13.613 -9.470 1.00 0.00 H new ATOM 504 N GLY A 27 -0.871 -10.182 -7.845 1.00 0.00 N ATOM 505 CA GLY A 27 0.181 -9.273 -7.381 1.00 0.00 C ATOM 506 C GLY A 27 -0.291 -8.142 -6.455 1.00 0.00 C ATOM 507 O GLY A 27 0.546 -7.372 -5.998 1.00 0.00 O ATOM 0 H GLY A 27 -1.131 -10.870 -7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.938 -9.857 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.665 -8.830 -8.251 1.00 0.00 H new ATOM 511 N PHE A 28 -1.596 -8.015 -6.176 1.00 0.00 N ATOM 512 CA PHE A 28 -2.166 -7.042 -5.230 1.00 0.00 C ATOM 513 C PHE A 28 -2.145 -7.584 -3.780 1.00 0.00 C ATOM 514 O PHE A 28 -2.485 -8.744 -3.582 1.00 0.00 O ATOM 515 CB PHE A 28 -3.606 -6.740 -5.668 1.00 0.00 C ATOM 516 CG PHE A 28 -4.473 -5.966 -4.686 1.00 0.00 C ATOM 517 CD1 PHE A 28 -4.535 -4.560 -4.734 1.00 0.00 C ATOM 518 CD2 PHE A 28 -5.278 -6.663 -3.762 1.00 0.00 C ATOM 519 CE1 PHE A 28 -5.428 -3.864 -3.900 1.00 0.00 C ATOM 520 CE2 PHE A 28 -6.192 -5.971 -2.950 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.275 -4.571 -3.029 1.00 0.00 C ATOM 0 H PHE A 28 -2.305 -8.603 -6.614 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.566 -6.132 -5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.567 -6.179 -6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.101 -7.687 -5.885 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.895 -4.015 -5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.191 -7.736 -3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.463 -2.785 -3.929 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.829 -6.514 -2.267 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.990 -4.038 -2.420 1.00 0.00 H new ATOM 531 N PRO A 29 -1.824 -6.776 -2.752 1.00 0.00 N ATOM 532 CA PRO A 29 -1.207 -5.464 -2.870 1.00 0.00 C ATOM 533 C PRO A 29 0.226 -5.589 -3.410 1.00 0.00 C ATOM 534 O PRO A 29 0.975 -6.506 -3.039 1.00 0.00 O ATOM 535 CB PRO A 29 -1.256 -4.870 -1.462 1.00 0.00 C ATOM 536 CG PRO A 29 -1.197 -6.098 -0.551 1.00 0.00 C ATOM 537 CD PRO A 29 -1.963 -7.150 -1.351 1.00 0.00 C ATOM 0 HA PRO A 29 -1.725 -4.817 -3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.418 -4.196 -1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.168 -4.295 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.170 -6.407 -0.355 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.662 -5.907 0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.558 -8.146 -1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.012 -7.175 -1.057 1.00 0.00 H new ATOM 545 N ARG A 30 0.613 -4.636 -4.265 1.00 0.00 N ATOM 546 CA ARG A 30 1.890 -4.604 -4.997 1.00 0.00 C ATOM 547 C ARG A 30 3.034 -4.041 -4.132 1.00 0.00 C ATOM 548 O ARG A 30 2.926 -2.896 -3.679 1.00 0.00 O ATOM 549 CB ARG A 30 1.742 -3.824 -6.316 1.00 0.00 C ATOM 550 CG ARG A 30 1.110 -2.428 -6.167 1.00 0.00 C ATOM 551 CD ARG A 30 1.935 -1.312 -6.813 1.00 0.00 C ATOM 552 NE ARG A 30 1.269 -0.002 -6.667 1.00 0.00 N ATOM 553 CZ ARG A 30 1.097 0.712 -5.555 1.00 0.00 C ATOM 554 NH1 ARG A 30 1.566 0.346 -4.386 1.00 0.00 N ATOM 555 NH2 ARG A 30 0.426 1.836 -5.600 1.00 0.00 N ATOM 0 H ARG A 30 0.023 -3.832 -4.477 1.00 0.00 H new ATOM 0 HA ARG A 30 2.157 -5.632 -5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.726 -3.716 -6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.135 -4.412 -7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.116 -2.439 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.982 -2.207 -5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.923 -1.274 -6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.084 -1.531 -7.870 1.00 0.00 H new ATOM 0 HE ARG A 30 0.894 0.407 -7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.092 -0.524 -4.297 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.405 0.931 -3.566 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.037 2.163 -6.484 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.293 2.385 -4.751 1.00 0.00 H new ATOM 569 N PRO A 31 4.105 -4.821 -3.855 1.00 0.00 N ATOM 570 CA PRO A 31 5.195 -4.384 -2.979 1.00 0.00 C ATOM 571 C PRO A 31 5.893 -3.138 -3.547 1.00 0.00 C ATOM 572 O PRO A 31 5.998 -2.984 -4.763 1.00 0.00 O ATOM 573 CB PRO A 31 6.135 -5.589 -2.852 1.00 0.00 C ATOM 574 CG PRO A 31 5.873 -6.392 -4.124 1.00 0.00 C ATOM 575 CD PRO A 31 4.388 -6.149 -4.385 1.00 0.00 C ATOM 0 HA PRO A 31 4.836 -4.080 -1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.177 -5.278 -2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.917 -6.174 -1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.490 -6.047 -4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.090 -7.451 -3.984 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.164 -6.201 -5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.776 -6.905 -3.894 1.00 0.00 H new ATOM 583 N LEU A 32 6.322 -2.234 -2.657 1.00 0.00 N ATOM 584 CA LEU A 32 6.754 -0.876 -3.014 1.00 0.00 C ATOM 585 C LEU A 32 8.045 -0.834 -3.855 1.00 0.00 C ATOM 586 O LEU A 32 8.001 -0.525 -5.044 1.00 0.00 O ATOM 587 CB LEU A 32 6.886 -0.033 -1.729 1.00 0.00 C ATOM 588 CG LEU A 32 5.553 0.271 -1.019 1.00 0.00 C ATOM 589 CD1 LEU A 32 5.847 0.955 0.319 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.641 1.186 -1.840 1.00 0.00 C ATOM 0 H LEU A 32 6.380 -2.427 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 32 5.987 -0.449 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.542 -0.556 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.373 0.910 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 32 5.036 -0.678 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.909 1.174 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.452 0.295 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.389 1.884 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.717 1.366 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.146 2.135 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.410 0.710 -2.793 1.00 0.00 H new ATOM 732 N VAL A 41 7.100 -4.208 2.289 1.00 0.00 N ATOM 733 CA VAL A 41 6.334 -3.072 2.800 1.00 0.00 C ATOM 734 C VAL A 41 5.346 -2.514 1.775 1.00 0.00 C ATOM 735 O VAL A 41 5.471 -2.718 0.564 1.00 0.00 O ATOM 736 CB VAL A 41 7.247 -1.936 3.316 1.00 0.00 C ATOM 737 CG1 VAL A 41 7.849 -2.292 4.678 1.00 0.00 C ATOM 738 CG2 VAL A 41 8.352 -1.533 2.329 1.00 0.00 C ATOM 0 HA VAL A 41 5.761 -3.467 3.639 1.00 0.00 H new ATOM 0 HB VAL A 41 6.601 -1.065 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.487 -1.476 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.048 -2.451 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.442 -3.202 4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.951 -0.731 2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.990 -2.393 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.901 -1.188 1.399 1.00 0.00 H new ATOM 748 N TYR A 42 4.381 -1.773 2.321 1.00 0.00 N ATOM 749 CA TYR A 42 3.169 -1.264 1.706 1.00 0.00 C ATOM 750 C TYR A 42 2.770 0.098 2.275 1.00 0.00 C ATOM 751 O TYR A 42 3.152 0.467 3.390 1.00 0.00 O ATOM 752 CB TYR A 42 2.050 -2.266 2.003 1.00 0.00 C ATOM 753 CG TYR A 42 2.229 -3.557 1.247 1.00 0.00 C ATOM 754 CD1 TYR A 42 2.029 -3.532 -0.137 1.00 0.00 C ATOM 755 CD2 TYR A 42 2.642 -4.744 1.886 1.00 0.00 C ATOM 756 CE1 TYR A 42 2.200 -4.702 -0.878 1.00 0.00 C ATOM 757 CE2 TYR A 42 2.805 -5.922 1.128 1.00 0.00 C ATOM 758 CZ TYR A 42 2.554 -5.913 -0.261 1.00 0.00 C ATOM 759 OH TYR A 42 2.600 -7.052 -1.007 1.00 0.00 O ATOM 0 H TYR A 42 4.441 -1.491 3.299 1.00 0.00 H new ATOM 0 HA TYR A 42 3.338 -1.140 0.636 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.024 -2.474 3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.089 -1.823 1.741 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.744 -2.614 -0.629 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.832 -4.751 2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.057 -4.676 -1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.123 -6.834 1.612 1.00 0.00 H new ATOM 0 HH TYR A 42 2.283 -6.862 -1.915 1.00 0.00 H new ATOM 769 N SER A 43 1.938 0.806 1.508 1.00 0.00 N ATOM 770 CA SER A 43 1.370 2.106 1.858 1.00 0.00 C ATOM 771 C SER A 43 -0.092 1.985 2.297 1.00 0.00 C ATOM 772 O SER A 43 -0.799 1.039 1.939 1.00 0.00 O ATOM 773 CB SER A 43 1.456 3.036 0.643 1.00 0.00 C ATOM 774 OG SER A 43 2.796 3.373 0.365 1.00 0.00 O ATOM 0 H SER A 43 1.631 0.476 0.593 1.00 0.00 H new ATOM 0 HA SER A 43 1.941 2.511 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.011 2.550 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.880 3.942 0.831 1.00 0.00 H new ATOM 0 HG SER A 43 2.829 3.966 -0.415 1.00 0.00 H new ATOM 780 N ARG A 44 -0.568 3.009 3.020 1.00 0.00 N ATOM 781 CA ARG A 44 -1.954 3.139 3.492 1.00 0.00 C ATOM 782 C ARG A 44 -2.983 3.059 2.350 1.00 0.00 C ATOM 783 O ARG A 44 -4.044 2.482 2.547 1.00 0.00 O ATOM 784 CB ARG A 44 -2.087 4.457 4.275 1.00 0.00 C ATOM 785 CG ARG A 44 -3.303 4.528 5.217 1.00 0.00 C ATOM 786 CD ARG A 44 -2.999 4.023 6.643 1.00 0.00 C ATOM 787 NE ARG A 44 -3.692 4.832 7.670 1.00 0.00 N ATOM 788 CZ ARG A 44 -3.380 6.067 8.055 1.00 0.00 C ATOM 789 NH1 ARG A 44 -2.349 6.711 7.554 1.00 0.00 N ATOM 790 NH2 ARG A 44 -4.105 6.691 8.954 1.00 0.00 N ATOM 0 H ARG A 44 0.019 3.794 3.301 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.176 2.295 4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.181 4.608 4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.147 5.281 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.653 5.559 5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.116 3.937 4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.306 2.981 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.924 4.055 6.819 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.492 4.398 8.131 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.762 6.264 6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.136 7.657 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.917 6.229 9.365 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.857 7.638 9.242 1.00 0.00 H new ATOM 804 N GLU A 45 -2.650 3.583 1.164 1.00 0.00 N ATOM 805 CA GLU A 45 -3.450 3.494 -0.071 1.00 0.00 C ATOM 806 C GLU A 45 -3.816 2.047 -0.449 1.00 0.00 C ATOM 807 O GLU A 45 -4.993 1.719 -0.591 1.00 0.00 O ATOM 808 CB GLU A 45 -2.728 4.209 -1.240 1.00 0.00 C ATOM 809 CG GLU A 45 -1.224 3.882 -1.363 1.00 0.00 C ATOM 810 CD GLU A 45 -0.659 4.017 -2.782 1.00 0.00 C ATOM 811 OE1 GLU A 45 -0.749 5.130 -3.340 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.089 3.011 -3.277 1.00 0.00 O ATOM 0 H GLU A 45 -1.782 4.102 1.030 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.392 4.005 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.222 3.940 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.843 5.286 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.666 4.542 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.057 2.863 -1.014 1.00 0.00 H new ATOM 819 N GLU A 46 -2.814 1.169 -0.574 1.00 0.00 N ATOM 820 CA GLU A 46 -3.000 -0.255 -0.846 1.00 0.00 C ATOM 821 C GLU A 46 -3.761 -0.915 0.305 1.00 0.00 C ATOM 822 O GLU A 46 -4.711 -1.658 0.065 1.00 0.00 O ATOM 823 CB GLU A 46 -1.631 -0.929 -1.052 1.00 0.00 C ATOM 824 CG GLU A 46 -1.016 -0.659 -2.432 1.00 0.00 C ATOM 825 CD GLU A 46 -1.686 -1.492 -3.536 1.00 0.00 C ATOM 826 OE1 GLU A 46 -2.773 -1.094 -4.001 1.00 0.00 O ATOM 827 OE2 GLU A 46 -1.100 -2.534 -3.910 1.00 0.00 O ATOM 0 H GLU A 46 -1.834 1.437 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.587 -0.374 -1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.943 -0.579 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.741 -2.005 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.111 0.401 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.050 -0.885 -2.404 1.00 0.00 H new ATOM 834 N VAL A 47 -3.385 -0.614 1.557 1.00 0.00 N ATOM 835 CA VAL A 47 -4.062 -1.144 2.748 1.00 0.00 C ATOM 836 C VAL A 47 -5.550 -0.778 2.791 1.00 0.00 C ATOM 837 O VAL A 47 -6.349 -1.647 3.126 1.00 0.00 O ATOM 838 CB VAL A 47 -3.327 -0.737 4.038 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.108 -1.112 5.306 1.00 0.00 C ATOM 840 CG2 VAL A 47 -1.981 -1.465 4.105 1.00 0.00 C ATOM 0 H VAL A 47 -2.602 0.004 1.771 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.021 -2.231 2.679 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.209 0.346 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.544 -0.802 6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.075 -0.610 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.260 -2.191 5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.458 -1.179 5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.149 -2.542 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.377 -1.193 3.240 1.00 0.00 H new ATOM 850 N GLU A 48 -5.944 0.450 2.434 1.00 0.00 N ATOM 851 CA GLU A 48 -7.347 0.874 2.331 1.00 0.00 C ATOM 852 C GLU A 48 -8.136 -0.062 1.403 1.00 0.00 C ATOM 853 O GLU A 48 -9.123 -0.678 1.819 1.00 0.00 O ATOM 854 CB GLU A 48 -7.408 2.335 1.839 1.00 0.00 C ATOM 855 CG GLU A 48 -8.820 2.937 1.839 1.00 0.00 C ATOM 856 CD GLU A 48 -9.324 3.166 3.262 1.00 0.00 C ATOM 857 OE1 GLU A 48 -9.909 2.203 3.813 1.00 0.00 O ATOM 858 OE2 GLU A 48 -9.120 4.275 3.801 1.00 0.00 O ATOM 0 H GLU A 48 -5.284 1.193 2.204 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.811 0.817 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.764 2.947 2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.004 2.384 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.815 3.882 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.502 2.270 1.312 1.00 0.00 H new ATOM 865 N ALA A 49 -7.659 -0.208 0.159 1.00 0.00 N ATOM 866 CA ALA A 49 -8.236 -1.117 -0.823 1.00 0.00 C ATOM 867 C ALA A 49 -8.276 -2.556 -0.293 1.00 0.00 C ATOM 868 O ALA A 49 -9.343 -3.164 -0.269 1.00 0.00 O ATOM 869 CB ALA A 49 -7.454 -1.008 -2.135 1.00 0.00 C ATOM 0 H ALA A 49 -6.853 0.310 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.270 -0.831 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.883 -1.687 -2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.510 0.015 -2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.412 -1.274 -1.960 1.00 0.00 H new ATOM 875 N VAL A 50 -7.139 -3.091 0.170 1.00 0.00 N ATOM 876 CA VAL A 50 -7.003 -4.449 0.719 1.00 0.00 C ATOM 877 C VAL A 50 -7.985 -4.711 1.858 1.00 0.00 C ATOM 878 O VAL A 50 -8.679 -5.727 1.835 1.00 0.00 O ATOM 879 CB VAL A 50 -5.558 -4.680 1.189 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.402 -5.926 2.067 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.617 -4.829 -0.005 1.00 0.00 C ATOM 0 H VAL A 50 -6.259 -2.575 0.174 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.243 -5.154 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.301 -3.803 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.359 -6.033 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.025 -5.825 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.711 -6.808 1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.600 -4.992 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.930 -5.680 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.649 -3.922 -0.609 1.00 0.00 H new ATOM 891 N ARG A 51 -8.061 -3.804 2.839 1.00 0.00 N ATOM 892 CA ARG A 51 -9.007 -3.847 3.957 1.00 0.00 C ATOM 893 C ARG A 51 -10.438 -3.963 3.435 1.00 0.00 C ATOM 894 O ARG A 51 -11.183 -4.827 3.904 1.00 0.00 O ATOM 895 CB ARG A 51 -8.793 -2.591 4.819 1.00 0.00 C ATOM 896 CG ARG A 51 -9.638 -2.564 6.099 1.00 0.00 C ATOM 897 CD ARG A 51 -9.557 -1.196 6.790 1.00 0.00 C ATOM 898 NE ARG A 51 -10.288 -0.143 6.052 1.00 0.00 N ATOM 899 CZ ARG A 51 -10.912 0.912 6.563 1.00 0.00 C ATOM 900 NH1 ARG A 51 -10.900 1.181 7.846 1.00 0.00 N ATOM 901 NH2 ARG A 51 -11.546 1.742 5.780 1.00 0.00 N ATOM 0 H ARG A 51 -7.444 -2.993 2.876 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.834 -4.726 4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.739 -2.523 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.026 -1.709 4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.676 -2.791 5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.293 -3.340 6.782 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.964 -1.277 7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.511 -0.905 6.891 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.316 -0.238 5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.399 0.570 8.491 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.392 2.002 8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.563 1.581 4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.024 2.551 6.175 1.00 0.00 H new ATOM 915 N ARG A 52 -10.806 -3.133 2.447 1.00 0.00 N ATOM 916 CA ARG A 52 -12.111 -3.193 1.780 1.00 0.00 C ATOM 917 C ARG A 52 -12.336 -4.538 1.086 1.00 0.00 C ATOM 918 O ARG A 52 -13.320 -5.200 1.401 1.00 0.00 O ATOM 919 CB ARG A 52 -12.283 -2.018 0.803 1.00 0.00 C ATOM 920 CG ARG A 52 -13.760 -1.611 0.741 1.00 0.00 C ATOM 921 CD ARG A 52 -14.032 -0.662 -0.430 1.00 0.00 C ATOM 922 NE ARG A 52 -15.312 0.044 -0.248 1.00 0.00 N ATOM 923 CZ ARG A 52 -15.932 0.816 -1.132 1.00 0.00 C ATOM 924 NH1 ARG A 52 -15.492 0.961 -2.361 1.00 0.00 N ATOM 925 NH2 ARG A 52 -17.014 1.470 -0.780 1.00 0.00 N ATOM 0 H ARG A 52 -10.199 -2.396 2.087 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.877 -3.103 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.676 -1.172 1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.932 -2.303 -0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.380 -2.502 0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.045 -1.128 1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.221 0.062 -0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.052 -1.225 -1.363 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.772 -0.073 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.649 0.472 -2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.993 1.562 -3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.376 1.384 0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.493 2.064 -1.456 1.00 0.00 H new ATOM 939 N VAL A 53 -11.423 -4.954 0.193 1.00 0.00 N ATOM 940 CA VAL A 53 -11.454 -6.239 -0.527 1.00 0.00 C ATOM 941 C VAL A 53 -11.648 -7.402 0.449 1.00 0.00 C ATOM 942 O VAL A 53 -12.523 -8.239 0.247 1.00 0.00 O ATOM 943 CB VAL A 53 -10.181 -6.447 -1.388 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.165 -7.853 -2.000 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.044 -5.405 -2.510 1.00 0.00 C ATOM 0 H VAL A 53 -10.614 -4.385 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.305 -6.213 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.333 -6.324 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.264 -7.978 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.177 -8.597 -1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.043 -7.985 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.135 -5.601 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.907 -5.468 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.992 -4.407 -2.075 1.00 0.00 H new ATOM 955 N ALA A 54 -10.864 -7.442 1.527 1.00 0.00 N ATOM 956 CA ALA A 54 -10.954 -8.450 2.570 1.00 0.00 C ATOM 957 C ALA A 54 -12.311 -8.469 3.297 1.00 0.00 C ATOM 958 O ALA A 54 -12.859 -9.546 3.538 1.00 0.00 O ATOM 959 CB ALA A 54 -9.823 -8.195 3.555 1.00 0.00 C ATOM 0 H ALA A 54 -10.131 -6.753 1.698 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.866 -9.432 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.862 -8.936 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.866 -8.268 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.930 -7.197 3.981 1.00 0.00 H new ATOM 965 N ARG A 55 -12.867 -7.300 3.653 1.00 0.00 N ATOM 966 CA ARG A 55 -14.212 -7.224 4.247 1.00 0.00 C ATOM 967 C ARG A 55 -15.307 -7.607 3.239 1.00 0.00 C ATOM 968 O ARG A 55 -16.273 -8.254 3.630 1.00 0.00 O ATOM 969 CB ARG A 55 -14.449 -5.836 4.878 1.00 0.00 C ATOM 970 CG ARG A 55 -14.950 -5.914 6.333 1.00 0.00 C ATOM 971 CD ARG A 55 -16.356 -6.505 6.504 1.00 0.00 C ATOM 972 NE ARG A 55 -17.405 -5.656 5.907 1.00 0.00 N ATOM 973 CZ ARG A 55 -18.591 -6.082 5.484 1.00 0.00 C ATOM 974 NH1 ARG A 55 -18.968 -7.323 5.625 1.00 0.00 N ATOM 975 NH2 ARG A 55 -19.444 -5.284 4.889 1.00 0.00 N ATOM 0 H ARG A 55 -12.408 -6.396 3.540 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.270 -7.961 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.520 -5.267 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.176 -5.289 4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.247 -6.514 6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.940 -4.911 6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.389 -7.493 6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.563 -6.639 7.566 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.204 -4.661 5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.346 -7.997 6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.885 -7.619 5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.206 -4.304 4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -20.346 -5.643 4.577 1.00 0.00 H new ATOM 989 N LEU A 56 -15.120 -7.288 1.953 1.00 0.00 N ATOM 990 CA LEU A 56 -15.939 -7.771 0.835 1.00 0.00 C ATOM 991 C LEU A 56 -15.879 -9.306 0.699 1.00 0.00 C ATOM 992 O LEU A 56 -16.900 -9.957 0.502 1.00 0.00 O ATOM 993 CB LEU A 56 -15.474 -7.101 -0.479 1.00 0.00 C ATOM 994 CG LEU A 56 -16.459 -6.155 -1.187 1.00 0.00 C ATOM 995 CD1 LEU A 56 -17.860 -6.749 -1.359 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.543 -4.804 -0.476 1.00 0.00 C ATOM 0 H LEU A 56 -14.370 -6.666 1.652 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.976 -7.502 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.564 -6.539 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.204 -7.890 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 56 -16.053 -6.008 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.501 -6.028 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.798 -7.660 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.279 -6.983 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.247 -4.159 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.883 -4.953 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.559 -4.335 -0.468 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.691 -9.902 0.828 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.479 -11.358 0.794 1.00 0.00 C ATOM 1010 C ILE A 57 -15.257 -12.089 1.893 1.00 0.00 C ATOM 1011 O ILE A 57 -15.730 -13.195 1.650 1.00 0.00 O ATOM 1012 CB ILE A 57 -12.964 -11.655 0.813 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.446 -11.435 -0.620 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.582 -13.053 1.341 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -10.935 -11.268 -0.678 1.00 0.00 C ATOM 0 H ILE A 57 -13.827 -9.376 0.962 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.886 -11.753 -0.137 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.493 -10.978 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.738 -12.281 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.922 -10.550 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.498 -13.168 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.935 -13.164 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.042 -13.817 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.625 -11.116 -1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.641 -10.405 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.455 -12.163 -0.283 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.473 -11.463 3.056 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.391 -11.988 4.072 1.00 0.00 C ATOM 1029 C GLN A 58 -17.870 -12.017 3.632 1.00 0.00 C ATOM 1030 O GLN A 58 -18.659 -12.695 4.284 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.218 -11.215 5.397 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.313 -11.945 6.400 1.00 0.00 C ATOM 1033 CD GLN A 58 -15.923 -13.256 6.893 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -16.836 -13.275 7.701 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -15.435 -14.397 6.442 1.00 0.00 N ATOM 0 H GLN A 58 -15.021 -10.587 3.317 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.117 -13.032 4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.799 -10.231 5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.197 -11.054 5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.350 -12.149 5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.122 -11.294 7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.671 -14.393 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.822 -15.282 6.770 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.260 -11.336 2.544 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.631 -11.361 2.015 1.00 0.00 C ATOM 1046 C GLU A 59 -19.836 -12.514 1.008 1.00 0.00 C ATOM 1047 O GLU A 59 -20.931 -13.070 0.947 1.00 0.00 O ATOM 1048 CB GLU A 59 -19.998 -10.014 1.348 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.633 -8.726 2.126 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.828 -7.911 2.647 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -21.627 -7.441 1.812 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -20.875 -7.653 3.877 1.00 0.00 O ATOM 0 H GLU A 59 -17.627 -10.748 2.002 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.293 -11.527 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.509 -9.973 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.073 -10.007 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.004 -8.999 2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -19.034 -8.087 1.477 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.802 -12.895 0.238 1.00 0.00 N ATOM 1060 CA GLU A 60 -18.863 -13.998 -0.747 1.00 0.00 C ATOM 1061 C GLU A 60 -17.517 -14.688 -1.027 1.00 0.00 C ATOM 1062 O GLU A 60 -17.469 -15.909 -1.153 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.417 -13.498 -2.100 1.00 0.00 C ATOM 1064 CG GLU A 60 -20.828 -14.025 -2.403 1.00 0.00 C ATOM 1065 CD GLU A 60 -21.183 -13.897 -3.894 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -20.698 -12.937 -4.536 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.921 -14.782 -4.382 1.00 0.00 O ATOM 0 H GLU A 60 -17.889 -12.443 0.280 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.523 -14.732 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.435 -12.408 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.741 -13.805 -2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.897 -15.070 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.556 -13.474 -1.808 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.440 -13.915 -1.215 1.00 0.00 N ATOM 1075 CA GLY A 61 -15.110 -14.414 -1.583 1.00 0.00 C ATOM 1076 C GLY A 61 -14.740 -14.186 -3.052 1.00 0.00 C ATOM 1077 O GLY A 61 -13.565 -13.978 -3.351 1.00 0.00 O ATOM 0 H GLY A 61 -16.471 -12.901 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.365 -13.929 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.063 -15.482 -1.369 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.731 -14.119 -3.955 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.593 -13.703 -5.363 1.00 0.00 C ATOM 1083 C LEU A 62 -14.778 -12.405 -5.502 1.00 0.00 C ATOM 1084 O LEU A 62 -13.932 -12.286 -6.391 1.00 0.00 O ATOM 1085 CB LEU A 62 -17.016 -13.601 -5.956 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.196 -12.783 -7.251 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.362 -13.291 -8.432 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.668 -12.815 -7.667 1.00 0.00 C ATOM 0 H LEU A 62 -16.692 -14.363 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.023 -14.440 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.373 -14.613 -6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.667 -13.171 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.852 -11.775 -7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.545 -12.663 -9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.304 -13.253 -8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.643 -14.319 -8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -18.800 -12.238 -8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.975 -13.846 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.280 -12.383 -6.875 1.00 0.00 H new ATOM 1100 N SER A 63 -14.952 -11.473 -4.559 1.00 0.00 N ATOM 1101 CA SER A 63 -14.175 -10.241 -4.429 1.00 0.00 C ATOM 1102 C SER A 63 -12.651 -10.416 -4.377 1.00 0.00 C ATOM 1103 O SER A 63 -11.967 -9.424 -4.614 1.00 0.00 O ATOM 1104 CB SER A 63 -14.657 -9.464 -3.207 1.00 0.00 C ATOM 1105 OG SER A 63 -15.955 -8.965 -3.447 1.00 0.00 O ATOM 0 H SER A 63 -15.667 -11.562 -3.838 1.00 0.00 H new ATOM 0 HA SER A 63 -14.355 -9.688 -5.351 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.661 -10.111 -2.330 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.974 -8.642 -2.993 1.00 0.00 H new ATOM 0 HG SER A 63 -15.984 -8.010 -3.228 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.107 -11.630 -4.175 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.707 -11.951 -4.509 1.00 0.00 C ATOM 1113 C VAL A 64 -10.388 -11.509 -5.934 1.00 0.00 C ATOM 1114 O VAL A 64 -9.494 -10.694 -6.119 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.386 -13.453 -4.312 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -9.106 -13.886 -5.047 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.205 -13.783 -2.829 1.00 0.00 C ATOM 0 H VAL A 64 -12.624 -12.414 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.071 -11.399 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.236 -13.994 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.929 -14.948 -4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.222 -13.706 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.259 -13.311 -4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.980 -14.844 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.383 -13.193 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.122 -13.547 -2.289 1.00 0.00 H new ATOM 1127 N SER A 65 -11.108 -12.024 -6.934 1.00 0.00 N ATOM 1128 CA SER A 65 -10.967 -11.535 -8.305 1.00 0.00 C ATOM 1129 C SER A 65 -11.656 -10.186 -8.449 1.00 0.00 C ATOM 1130 O SER A 65 -11.068 -9.251 -8.985 1.00 0.00 O ATOM 1131 CB SER A 65 -11.538 -12.538 -9.317 1.00 0.00 C ATOM 1132 OG SER A 65 -10.507 -12.965 -10.192 1.00 0.00 O ATOM 0 H SER A 65 -11.790 -12.774 -6.820 1.00 0.00 H new ATOM 0 HA SER A 65 -9.904 -11.418 -8.517 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.965 -13.395 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.345 -12.077 -9.886 1.00 0.00 H new ATOM 0 HG SER A 65 -10.871 -13.607 -10.837 1.00 0.00 H new ATOM 1138 N GLU A 66 -12.897 -10.081 -7.969 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.783 -8.995 -8.373 1.00 0.00 C ATOM 1140 C GLU A 66 -13.370 -7.637 -7.818 1.00 0.00 C ATOM 1141 O GLU A 66 -13.362 -6.670 -8.573 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.240 -9.334 -8.010 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.189 -9.152 -9.203 1.00 0.00 C ATOM 1144 CD GLU A 66 -16.009 -10.206 -10.312 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -14.908 -10.800 -10.409 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -16.987 -10.405 -11.062 1.00 0.00 O ATOM 0 H GLU A 66 -13.307 -10.734 -7.302 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.699 -8.904 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.295 -10.364 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.566 -8.697 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.218 -9.188 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.035 -8.161 -9.629 1.00 0.00 H new ATOM 1153 N ALA A 67 -13.005 -7.537 -6.533 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.619 -6.255 -5.956 1.00 0.00 C ATOM 1155 C ALA A 67 -11.183 -5.856 -6.347 1.00 0.00 C ATOM 1156 O ALA A 67 -10.898 -4.663 -6.439 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.849 -6.266 -4.447 1.00 0.00 C ATOM 0 H ALA A 67 -12.971 -8.323 -5.884 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.258 -5.478 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.557 -5.303 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.904 -6.447 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.250 -7.056 -3.993 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.309 -6.830 -6.667 1.00 0.00 N ATOM 1164 CA ILE A 68 -9.031 -6.575 -7.348 1.00 0.00 C ATOM 1165 C ILE A 68 -9.294 -6.017 -8.751 1.00 0.00 C ATOM 1166 O ILE A 68 -8.824 -4.927 -9.066 1.00 0.00 O ATOM 1167 CB ILE A 68 -8.109 -7.821 -7.366 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.641 -8.088 -5.919 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -6.890 -7.597 -8.287 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.685 -9.274 -5.743 1.00 0.00 C ATOM 0 H ILE A 68 -10.472 -7.815 -6.459 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.484 -5.823 -6.779 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.659 -8.678 -7.755 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.151 -7.190 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.520 -8.257 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.261 -8.487 -8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.233 -7.402 -9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.315 -6.743 -7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.418 -9.373 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.173 -10.188 -6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.783 -9.105 -6.331 1.00 0.00 H new ATOM 1182 N ALA A 69 -10.061 -6.729 -9.586 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.427 -6.278 -10.926 1.00 0.00 C ATOM 1184 C ALA A 69 -11.096 -4.897 -10.893 1.00 0.00 C ATOM 1185 O ALA A 69 -10.709 -4.031 -11.674 1.00 0.00 O ATOM 1186 CB ALA A 69 -11.311 -7.334 -11.597 1.00 0.00 C ATOM 0 H ALA A 69 -10.446 -7.642 -9.344 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.521 -6.161 -11.521 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.584 -6.998 -12.597 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.765 -8.275 -11.667 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.214 -7.482 -11.005 1.00 0.00 H new ATOM 1192 N GLN A 70 -12.018 -4.658 -9.950 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.568 -3.335 -9.651 1.00 0.00 C ATOM 1194 C GLN A 70 -11.453 -2.328 -9.351 1.00 0.00 C ATOM 1195 O GLN A 70 -11.276 -1.424 -10.155 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.608 -3.393 -8.525 1.00 0.00 C ATOM 1197 CG GLN A 70 -14.934 -4.014 -8.993 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.787 -4.517 -7.829 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.989 -3.844 -6.830 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.327 -5.719 -7.916 1.00 0.00 N ATOM 0 H GLN A 70 -12.408 -5.396 -9.364 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.090 -2.986 -10.542 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.209 -3.975 -7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.792 -2.386 -8.150 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.498 -3.273 -9.560 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.725 -4.842 -9.670 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.166 -6.291 -8.745 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.905 -6.075 -7.154 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.672 -2.458 -8.267 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.661 -1.435 -7.926 1.00 0.00 C ATOM 1211 C VAL A 71 -8.565 -1.258 -8.996 1.00 0.00 C ATOM 1212 O VAL A 71 -7.967 -0.189 -9.077 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.093 -1.647 -6.507 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -8.032 -2.749 -6.422 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.502 -0.349 -5.942 1.00 0.00 C ATOM 0 H VAL A 71 -10.716 -3.245 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.188 -0.481 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.948 -1.965 -5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.681 -2.838 -5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.466 -3.697 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.193 -2.497 -7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.111 -0.533 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.696 -0.004 -6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.279 0.414 -5.893 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.325 -2.260 -9.859 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.437 -2.146 -11.027 1.00 0.00 C ATOM 1227 C LYS A 72 -8.094 -1.470 -12.243 1.00 0.00 C ATOM 1228 O LYS A 72 -7.381 -0.805 -12.991 1.00 0.00 O ATOM 1229 CB LYS A 72 -6.901 -3.533 -11.421 1.00 0.00 C ATOM 1230 CG LYS A 72 -6.014 -4.193 -10.343 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.567 -4.435 -10.797 1.00 0.00 C ATOM 1232 CE LYS A 72 -3.771 -3.127 -10.909 1.00 0.00 C ATOM 1233 NZ LYS A 72 -2.679 -3.057 -9.908 1.00 0.00 N ATOM 0 H LYS A 72 -8.748 -3.183 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.616 -1.496 -10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.744 -4.190 -11.635 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.327 -3.441 -12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.006 -3.561 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.458 -5.145 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.072 -5.101 -10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.570 -4.941 -11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.351 -3.042 -11.911 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.443 -2.280 -10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.166 -2.159 -10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.082 -3.112 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.023 -3.851 -10.054 1.00 0.00 H new ATOM 1247 N THR A 73 -9.407 -1.637 -12.461 1.00 0.00 N ATOM 1248 CA THR A 73 -10.157 -1.030 -13.583 1.00 0.00 C ATOM 1249 C THR A 73 -10.813 0.316 -13.220 1.00 0.00 C ATOM 1250 O THR A 73 -11.150 1.101 -14.104 1.00 0.00 O ATOM 1251 CB THR A 73 -11.176 -2.044 -14.147 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.397 -1.810 -15.515 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.548 -2.044 -13.469 1.00 0.00 C ATOM 0 H THR A 73 -9.994 -2.208 -11.853 1.00 0.00 H new ATOM 0 HA THR A 73 -9.437 -0.790 -14.365 1.00 0.00 H new ATOM 0 HB THR A 73 -10.713 -3.012 -13.953 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.044 -2.462 -15.858 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.187 -2.791 -13.940 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.431 -2.281 -12.412 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.005 -1.060 -13.572 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.963 0.606 -11.922 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.418 1.875 -11.353 1.00 0.00 C ATOM 1263 C GLU A 74 -10.569 3.048 -11.879 1.00 0.00 C ATOM 1264 O GLU A 74 -9.339 2.997 -11.794 1.00 0.00 O ATOM 1265 CB GLU A 74 -11.347 1.819 -9.813 1.00 0.00 C ATOM 1266 CG GLU A 74 -12.599 1.205 -9.157 1.00 0.00 C ATOM 1267 CD GLU A 74 -13.430 2.252 -8.406 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -13.925 3.179 -9.086 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -13.564 2.109 -7.169 1.00 0.00 O ATOM 0 H GLU A 74 -10.757 -0.083 -11.199 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.452 2.037 -11.658 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.472 1.239 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.204 2.829 -9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.216 0.735 -9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.296 0.419 -8.465 1.00 0.00 H new