USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=9 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 Single : A 7 THR OG1 : rot -136:sc= 0.85 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -80:sc= 0.223 USER MOD Single : A 18 THR OG1 : rot -94:sc= 1.07 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 58 GLN : amide:sc= -0.0344 X(o=-0.034,f=-0.039) USER MOD Single : A 63 SER OG : rot -110:sc= -0.0505 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 1.06 K(o=1.1,f=-0.68) 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 4.932 0.948 5.917 1.00 0.00 N ATOM 71 CA LEU A 3 4.022 -0.149 6.287 1.00 0.00 C ATOM 72 C LEU A 3 4.481 -1.491 5.674 1.00 0.00 C ATOM 73 O LEU A 3 5.259 -1.506 4.719 1.00 0.00 O ATOM 74 CB LEU A 3 2.584 0.199 5.816 1.00 0.00 C ATOM 75 CG LEU A 3 1.530 0.553 6.885 1.00 0.00 C ATOM 76 CD1 LEU A 3 1.407 -0.523 7.967 1.00 0.00 C ATOM 77 CD2 LEU A 3 1.731 1.911 7.561 1.00 0.00 C ATOM 0 HA LEU A 3 4.035 -0.264 7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.654 1.041 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.207 -0.649 5.245 1.00 0.00 H new ATOM 0 HG LEU A 3 0.605 0.610 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.652 -0.224 8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.115 -1.468 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.366 -0.645 8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.943 2.072 8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.701 1.930 8.059 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.693 2.700 6.810 1.00 0.00 H new ATOM 89 N ARG A 4 3.964 -2.619 6.199 1.00 0.00 N ATOM 90 CA ARG A 4 4.271 -3.988 5.740 1.00 0.00 C ATOM 91 C ARG A 4 3.086 -4.961 5.864 1.00 0.00 C ATOM 92 O ARG A 4 2.142 -4.684 6.612 1.00 0.00 O ATOM 93 CB ARG A 4 5.511 -4.531 6.481 1.00 0.00 C ATOM 94 CG ARG A 4 5.342 -4.826 7.990 1.00 0.00 C ATOM 95 CD ARG A 4 6.034 -3.814 8.922 1.00 0.00 C ATOM 96 NE ARG A 4 5.121 -2.769 9.430 1.00 0.00 N ATOM 97 CZ ARG A 4 5.482 -1.615 9.986 1.00 0.00 C ATOM 98 NH1 ARG A 4 6.734 -1.231 10.056 1.00 0.00 N ATOM 99 NH2 ARG A 4 4.577 -0.817 10.503 1.00 0.00 N ATOM 0 H ARG A 4 3.303 -2.603 6.976 1.00 0.00 H new ATOM 0 HA ARG A 4 4.485 -3.918 4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.827 -5.450 5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.321 -3.811 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.278 -4.848 8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.736 -5.821 8.199 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.470 -4.348 9.766 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.856 -3.340 8.386 1.00 0.00 H new ATOM 0 HE ARG A 4 4.120 -2.949 9.347 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.471 -1.825 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.970 -0.339 10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.592 -1.080 10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.859 0.066 10.928 1.00 0.00 H new ATOM 113 N ILE A 5 3.178 -6.136 5.207 1.00 0.00 N ATOM 114 CA ILE A 5 2.100 -7.154 5.176 1.00 0.00 C ATOM 115 C ILE A 5 1.582 -7.551 6.561 1.00 0.00 C ATOM 116 O ILE A 5 0.391 -7.806 6.713 1.00 0.00 O ATOM 117 CB ILE A 5 2.481 -8.430 4.369 1.00 0.00 C ATOM 118 CG1 ILE A 5 1.223 -9.096 3.762 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.253 -9.484 5.181 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.615 -8.302 2.597 1.00 0.00 C ATOM 0 H ILE A 5 4.007 -6.409 4.679 1.00 0.00 H new ATOM 0 HA ILE A 5 1.287 -6.650 4.653 1.00 0.00 H new ATOM 0 HB ILE A 5 3.148 -8.074 3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.482 -10.096 3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.471 -9.215 4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.479 -10.340 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.183 -9.050 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.645 -9.810 6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.263 -8.825 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.325 -7.311 2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.351 -8.205 1.799 1.00 0.00 H new ATOM 132 N ARG A 6 2.457 -7.561 7.576 1.00 0.00 N ATOM 133 CA ARG A 6 2.129 -7.954 8.949 1.00 0.00 C ATOM 134 C ARG A 6 1.020 -7.086 9.567 1.00 0.00 C ATOM 135 O ARG A 6 0.292 -7.563 10.429 1.00 0.00 O ATOM 136 CB ARG A 6 3.429 -7.985 9.779 1.00 0.00 C ATOM 137 CG ARG A 6 3.321 -8.888 11.022 1.00 0.00 C ATOM 138 CD ARG A 6 4.700 -9.244 11.610 1.00 0.00 C ATOM 139 NE ARG A 6 5.041 -8.459 12.812 1.00 0.00 N ATOM 140 CZ ARG A 6 6.187 -8.508 13.485 1.00 0.00 C ATOM 141 NH1 ARG A 6 7.212 -9.214 13.064 1.00 0.00 N ATOM 142 NH2 ARG A 6 6.325 -7.849 14.613 1.00 0.00 N ATOM 0 H ARG A 6 3.433 -7.290 7.460 1.00 0.00 H new ATOM 0 HA ARG A 6 1.703 -8.957 8.945 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.248 -8.336 9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.679 -6.971 10.092 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.723 -8.385 11.782 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.794 -9.805 10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.718 -10.305 11.860 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.464 -9.082 10.850 1.00 0.00 H new ATOM 0 HE ARG A 6 4.329 -7.817 13.160 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.143 -9.746 12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.077 -9.230 13.605 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.550 -7.295 14.978 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.207 -7.891 15.124 1.00 0.00 H new ATOM 156 N THR A 7 0.828 -5.846 9.084 1.00 0.00 N ATOM 157 CA THR A 7 -0.350 -5.027 9.413 1.00 0.00 C ATOM 158 C THR A 7 -1.595 -5.459 8.639 1.00 0.00 C ATOM 159 O THR A 7 -2.673 -5.546 9.220 1.00 0.00 O ATOM 160 CB THR A 7 -0.103 -3.540 9.123 1.00 0.00 C ATOM 161 OG1 THR A 7 0.953 -3.052 9.920 1.00 0.00 O ATOM 162 CG2 THR A 7 -1.311 -2.655 9.453 1.00 0.00 C ATOM 0 H THR A 7 1.485 -5.384 8.455 1.00 0.00 H new ATOM 0 HA THR A 7 -0.520 -5.177 10.479 1.00 0.00 H new ATOM 0 HB THR A 7 0.117 -3.490 8.057 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.708 -2.178 10.288 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.073 -1.616 9.226 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.167 -2.970 8.856 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.553 -2.749 10.512 1.00 0.00 H new ATOM 170 N ILE A 8 -1.450 -5.694 7.332 1.00 0.00 N ATOM 171 CA ILE A 8 -2.550 -6.034 6.426 1.00 0.00 C ATOM 172 C ILE A 8 -3.166 -7.388 6.825 1.00 0.00 C ATOM 173 O ILE A 8 -4.384 -7.517 6.897 1.00 0.00 O ATOM 174 CB ILE A 8 -2.072 -6.013 4.952 1.00 0.00 C ATOM 175 CG1 ILE A 8 -1.195 -4.776 4.628 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.306 -6.050 4.040 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.835 -4.595 3.145 1.00 0.00 C ATOM 0 H ILE A 8 -0.545 -5.652 6.864 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.333 -5.281 6.514 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.443 -6.887 4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.717 -3.882 4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.272 -4.846 5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.988 -6.036 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.875 -6.960 4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.933 -5.181 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.221 -3.702 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.281 -5.466 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.748 -4.488 2.559 1.00 0.00 H new ATOM 189 N ALA A 9 -2.323 -8.367 7.174 1.00 0.00 N ATOM 190 CA ALA A 9 -2.713 -9.635 7.782 1.00 0.00 C ATOM 191 C ALA A 9 -3.472 -9.442 9.106 1.00 0.00 C ATOM 192 O ALA A 9 -4.557 -10.003 9.273 1.00 0.00 O ATOM 193 CB ALA A 9 -1.445 -10.469 7.985 1.00 0.00 C ATOM 0 H ALA A 9 -1.316 -8.291 7.034 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.406 -10.153 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.707 -11.425 8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.967 -10.644 7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.758 -9.933 8.639 1.00 0.00 H new ATOM 199 N ARG A 10 -2.936 -8.613 10.023 1.00 0.00 N ATOM 200 CA ARG A 10 -3.505 -8.285 11.347 1.00 0.00 C ATOM 201 C ARG A 10 -4.978 -7.849 11.318 1.00 0.00 C ATOM 202 O ARG A 10 -5.661 -8.016 12.323 1.00 0.00 O ATOM 203 CB ARG A 10 -2.576 -7.282 12.078 1.00 0.00 C ATOM 204 CG ARG A 10 -3.270 -6.220 12.954 1.00 0.00 C ATOM 205 CD ARG A 10 -2.303 -5.383 13.800 1.00 0.00 C ATOM 206 NE ARG A 10 -1.332 -4.618 12.994 1.00 0.00 N ATOM 207 CZ ARG A 10 -0.328 -3.892 13.475 1.00 0.00 C ATOM 208 NH1 ARG A 10 -0.174 -3.715 14.767 1.00 0.00 N ATOM 209 NH2 ARG A 10 0.553 -3.320 12.685 1.00 0.00 N ATOM 0 H ARG A 10 -2.053 -8.131 9.854 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.538 -9.209 11.925 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.889 -7.848 12.707 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.973 -6.767 11.330 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.846 -5.553 12.312 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.980 -6.717 13.616 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.877 -4.692 14.417 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.762 -6.042 14.479 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.441 -4.649 11.980 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.832 -4.138 15.422 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.603 -3.154 15.116 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.477 -3.427 11.674 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.313 -2.769 13.083 1.00 0.00 H new ATOM 223 N MET A 11 -5.499 -7.381 10.177 1.00 0.00 N ATOM 224 CA MET A 11 -6.931 -7.115 9.982 1.00 0.00 C ATOM 225 C MET A 11 -7.828 -8.325 10.300 1.00 0.00 C ATOM 226 O MET A 11 -8.979 -8.130 10.682 1.00 0.00 O ATOM 227 CB MET A 11 -7.181 -6.656 8.536 1.00 0.00 C ATOM 228 CG MET A 11 -6.498 -5.323 8.214 1.00 0.00 C ATOM 229 SD MET A 11 -7.287 -3.880 8.984 1.00 0.00 S ATOM 230 CE MET A 11 -5.833 -2.912 9.460 1.00 0.00 C ATOM 0 H MET A 11 -4.933 -7.174 9.354 1.00 0.00 H new ATOM 0 HA MET A 11 -7.200 -6.330 10.688 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.819 -7.421 7.848 1.00 0.00 H new ATOM 0 HB3 MET A 11 -8.254 -6.560 8.370 1.00 0.00 H new ATOM 0 HG2 MET A 11 -5.459 -5.372 8.539 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.488 -5.184 7.133 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.153 -1.991 9.948 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.219 -3.493 10.148 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.251 -2.669 8.571 1.00 0.00 H new ATOM 240 N THR A 12 -7.322 -9.562 10.144 1.00 0.00 N ATOM 241 CA THR A 12 -8.076 -10.804 10.433 1.00 0.00 C ATOM 242 C THR A 12 -7.226 -12.000 10.885 1.00 0.00 C ATOM 243 O THR A 12 -7.789 -13.002 11.323 1.00 0.00 O ATOM 244 CB THR A 12 -8.814 -11.297 9.177 1.00 0.00 C ATOM 245 OG1 THR A 12 -7.844 -11.478 8.176 1.00 0.00 O ATOM 246 CG2 THR A 12 -9.908 -10.362 8.655 1.00 0.00 C ATOM 0 H THR A 12 -6.373 -9.733 9.812 1.00 0.00 H new ATOM 0 HA THR A 12 -8.737 -10.508 11.247 1.00 0.00 H new ATOM 0 HB THR A 12 -9.335 -12.215 9.448 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.622 -10.612 7.775 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.368 -10.799 7.768 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.666 -10.223 9.426 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.470 -9.397 8.399 1.00 0.00 H new ATOM 254 N GLY A 13 -5.901 -11.980 10.687 1.00 0.00 N ATOM 255 CA GLY A 13 -5.062 -13.179 10.686 1.00 0.00 C ATOM 256 C GLY A 13 -5.262 -14.015 9.413 1.00 0.00 C ATOM 257 O GLY A 13 -4.314 -14.231 8.650 1.00 0.00 O ATOM 0 H GLY A 13 -5.379 -11.120 10.521 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.014 -12.890 10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.296 -13.787 11.560 1.00 0.00 H new ATOM 261 N ILE A 14 -6.505 -14.462 9.161 1.00 0.00 N ATOM 262 CA ILE A 14 -6.827 -15.428 8.092 1.00 0.00 C ATOM 263 C ILE A 14 -6.504 -14.907 6.682 1.00 0.00 C ATOM 264 O ILE A 14 -6.229 -15.702 5.781 1.00 0.00 O ATOM 265 CB ILE A 14 -8.258 -16.042 8.219 1.00 0.00 C ATOM 266 CG1 ILE A 14 -9.306 -15.684 7.132 1.00 0.00 C ATOM 267 CG2 ILE A 14 -8.880 -15.892 9.621 1.00 0.00 C ATOM 268 CD1 ILE A 14 -9.884 -14.265 7.173 1.00 0.00 C ATOM 0 H ILE A 14 -7.320 -14.162 9.696 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.147 -16.265 8.248 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.021 -17.090 8.033 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.848 -15.837 6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.132 -16.390 7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.872 -16.343 9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.248 -16.393 10.355 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.960 -14.834 9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.603 -14.141 6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.382 -14.103 8.129 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.078 -13.540 7.056 1.00 0.00 H new ATOM 280 N ARG A 15 -6.494 -13.580 6.472 1.00 0.00 N ATOM 281 CA ARG A 15 -6.109 -12.985 5.188 1.00 0.00 C ATOM 282 C ARG A 15 -4.637 -13.193 4.831 1.00 0.00 C ATOM 283 O ARG A 15 -4.345 -13.165 3.641 1.00 0.00 O ATOM 284 CB ARG A 15 -6.480 -11.490 5.124 1.00 0.00 C ATOM 285 CG ARG A 15 -7.993 -11.191 5.078 1.00 0.00 C ATOM 286 CD ARG A 15 -8.681 -11.462 3.734 1.00 0.00 C ATOM 287 NE ARG A 15 -8.915 -12.902 3.525 1.00 0.00 N ATOM 288 CZ ARG A 15 -9.131 -13.510 2.369 1.00 0.00 C ATOM 289 NH1 ARG A 15 -9.289 -12.837 1.257 1.00 0.00 N ATOM 290 NH2 ARG A 15 -9.176 -14.820 2.303 1.00 0.00 N ATOM 0 H ARG A 15 -6.751 -12.897 7.184 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.686 -13.522 4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.053 -10.988 5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.012 -11.053 4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.487 -11.787 5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.147 -10.144 5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.631 -10.929 3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.065 -11.072 2.924 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.910 -13.491 4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.247 -11.818 1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.454 -13.332 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.044 -15.378 3.147 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.343 -15.280 1.408 1.00 0.00 H new ATOM 304 N GLU A 16 -3.714 -13.471 5.759 1.00 0.00 N ATOM 305 CA GLU A 16 -2.298 -13.650 5.383 1.00 0.00 C ATOM 306 C GLU A 16 -2.111 -14.720 4.294 1.00 0.00 C ATOM 307 O GLU A 16 -1.393 -14.489 3.317 1.00 0.00 O ATOM 308 CB GLU A 16 -1.434 -13.954 6.612 1.00 0.00 C ATOM 309 CG GLU A 16 0.041 -13.663 6.297 1.00 0.00 C ATOM 310 CD GLU A 16 0.912 -13.730 7.552 1.00 0.00 C ATOM 311 OE1 GLU A 16 0.916 -12.723 8.297 1.00 0.00 O ATOM 312 OE2 GLU A 16 1.571 -14.777 7.738 1.00 0.00 O ATOM 0 H GLU A 16 -3.910 -13.576 6.754 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.963 -12.705 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.761 -13.348 7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.554 -14.998 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.405 -14.382 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.128 -12.675 5.846 1.00 0.00 H new ATOM 319 N ALA A 17 -2.851 -15.830 4.409 1.00 0.00 N ATOM 320 CA ALA A 17 -2.905 -16.900 3.420 1.00 0.00 C ATOM 321 C ALA A 17 -3.372 -16.426 2.032 1.00 0.00 C ATOM 322 O ALA A 17 -2.870 -16.952 1.036 1.00 0.00 O ATOM 323 CB ALA A 17 -3.821 -18.010 3.951 1.00 0.00 C ATOM 0 H ALA A 17 -3.444 -16.008 5.219 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.891 -17.274 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.872 -18.819 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.422 -18.393 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.820 -17.608 4.118 1.00 0.00 H new ATOM 329 N THR A 18 -4.286 -15.440 1.964 1.00 0.00 N ATOM 330 CA THR A 18 -4.696 -14.782 0.715 1.00 0.00 C ATOM 331 C THR A 18 -3.608 -13.849 0.210 1.00 0.00 C ATOM 332 O THR A 18 -3.308 -13.883 -0.973 1.00 0.00 O ATOM 333 CB THR A 18 -6.049 -14.031 0.816 1.00 0.00 C ATOM 334 OG1 THR A 18 -6.749 -14.223 -0.392 1.00 0.00 O ATOM 335 CG2 THR A 18 -6.036 -12.501 1.016 1.00 0.00 C ATOM 0 H THR A 18 -4.765 -15.075 2.787 1.00 0.00 H new ATOM 0 HA THR A 18 -4.847 -15.586 -0.005 1.00 0.00 H new ATOM 0 HB THR A 18 -6.487 -14.454 1.720 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.568 -13.474 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.060 -12.132 1.066 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.517 -12.260 1.944 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.521 -12.029 0.179 1.00 0.00 H new ATOM 343 N LEU A 19 -3.027 -13.018 1.083 1.00 0.00 N ATOM 344 CA LEU A 19 -2.094 -11.957 0.702 1.00 0.00 C ATOM 345 C LEU A 19 -0.842 -12.565 0.056 1.00 0.00 C ATOM 346 O LEU A 19 -0.461 -12.191 -1.055 1.00 0.00 O ATOM 347 CB LEU A 19 -1.754 -11.106 1.945 1.00 0.00 C ATOM 348 CG LEU A 19 -2.963 -10.357 2.557 1.00 0.00 C ATOM 349 CD1 LEU A 19 -2.696 -9.894 3.995 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.386 -9.147 1.723 1.00 0.00 C ATOM 0 H LEU A 19 -3.196 -13.066 2.088 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.552 -11.301 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.320 -11.754 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.990 -10.377 1.674 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.774 -11.085 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.574 -9.374 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.484 -10.760 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.841 -9.219 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.237 -8.658 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.556 -8.444 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.667 -9.475 0.722 1.00 0.00 H new ATOM 362 N ARG A 20 -0.253 -13.570 0.719 1.00 0.00 N ATOM 363 CA ARG A 20 0.887 -14.339 0.199 1.00 0.00 C ATOM 364 C ARG A 20 0.542 -15.230 -1.006 1.00 0.00 C ATOM 365 O ARG A 20 1.454 -15.615 -1.731 1.00 0.00 O ATOM 366 CB ARG A 20 1.529 -15.134 1.353 1.00 0.00 C ATOM 367 CG ARG A 20 0.645 -16.281 1.872 1.00 0.00 C ATOM 368 CD ARG A 20 1.062 -17.645 1.315 1.00 0.00 C ATOM 369 NE ARG A 20 -0.072 -18.586 1.337 1.00 0.00 N ATOM 370 CZ ARG A 20 -0.016 -19.899 1.526 1.00 0.00 C ATOM 371 NH1 ARG A 20 1.107 -20.522 1.809 1.00 0.00 N ATOM 372 NH2 ARG A 20 -1.106 -20.621 1.425 1.00 0.00 N ATOM 0 H ARG A 20 -0.558 -13.876 1.643 1.00 0.00 H new ATOM 0 HA ARG A 20 1.612 -13.628 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.481 -15.543 1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.748 -14.453 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.693 -16.307 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.393 -16.085 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.426 -17.530 0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.886 -18.047 1.904 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.999 -18.186 1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.976 -19.995 1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.109 -21.533 1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.995 -20.174 1.202 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.065 -21.630 1.570 1.00 0.00 H new ATOM 386 N ALA A 21 -0.739 -15.547 -1.240 1.00 0.00 N ATOM 387 CA ALA A 21 -1.195 -16.185 -2.476 1.00 0.00 C ATOM 388 C ALA A 21 -1.308 -15.157 -3.612 1.00 0.00 C ATOM 389 O ALA A 21 -0.707 -15.352 -4.668 1.00 0.00 O ATOM 390 CB ALA A 21 -2.523 -16.920 -2.245 1.00 0.00 C ATOM 0 H ALA A 21 -1.489 -15.366 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.454 -16.925 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.846 -17.388 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.387 -17.686 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.280 -16.209 -1.915 1.00 0.00 H new ATOM 396 N TRP A 22 -2.050 -14.059 -3.398 1.00 0.00 N ATOM 397 CA TRP A 22 -2.285 -12.978 -4.360 1.00 0.00 C ATOM 398 C TRP A 22 -0.997 -12.432 -4.974 1.00 0.00 C ATOM 399 O TRP A 22 -1.007 -12.064 -6.147 1.00 0.00 O ATOM 400 CB TRP A 22 -3.029 -11.806 -3.719 1.00 0.00 C ATOM 401 CG TRP A 22 -4.428 -11.958 -3.204 1.00 0.00 C ATOM 402 CD1 TRP A 22 -5.318 -12.934 -3.493 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.142 -11.007 -2.361 1.00 0.00 C ATOM 404 NE1 TRP A 22 -6.532 -12.637 -2.897 1.00 0.00 N ATOM 405 CE2 TRP A 22 -6.490 -11.436 -2.216 1.00 0.00 C ATOM 406 CE3 TRP A 22 -4.782 -9.804 -1.726 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.441 -10.694 -1.492 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -5.716 -9.057 -0.990 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.041 -9.501 -0.864 1.00 0.00 C ATOM 0 H TRP A 22 -2.522 -13.896 -2.509 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.889 -13.430 -5.147 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.419 -11.461 -2.884 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.047 -11.001 -4.454 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.114 -13.808 -4.094 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.358 -13.233 -2.954 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.766 -9.448 -1.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.463 -11.035 -1.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.412 -8.134 -0.518 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -7.752 -8.928 -0.286 1.00 0.00 H new ATOM 420 N GLU A 23 0.107 -12.435 -4.223 1.00 0.00 N ATOM 421 CA GLU A 23 1.442 -12.079 -4.700 1.00 0.00 C ATOM 422 C GLU A 23 1.866 -12.864 -5.960 1.00 0.00 C ATOM 423 O GLU A 23 2.412 -12.261 -6.880 1.00 0.00 O ATOM 424 CB GLU A 23 2.417 -12.235 -3.522 1.00 0.00 C ATOM 425 CG GLU A 23 3.724 -11.444 -3.706 1.00 0.00 C ATOM 426 CD GLU A 23 4.948 -12.311 -4.015 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.801 -13.380 -4.645 1.00 0.00 O ATOM 428 OE2 GLU A 23 6.030 -11.948 -3.489 1.00 0.00 O ATOM 0 H GLU A 23 0.094 -12.693 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 23 1.447 -11.042 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.926 -11.905 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.654 -13.291 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.589 -10.725 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.919 -10.871 -2.799 1.00 0.00 H new ATOM 435 N ARG A 24 1.505 -14.158 -6.066 1.00 0.00 N ATOM 436 CA ARG A 24 1.632 -14.972 -7.293 1.00 0.00 C ATOM 437 C ARG A 24 0.330 -15.097 -8.099 1.00 0.00 C ATOM 438 O ARG A 24 0.394 -15.404 -9.286 1.00 0.00 O ATOM 439 CB ARG A 24 2.186 -16.371 -6.947 1.00 0.00 C ATOM 440 CG ARG A 24 3.720 -16.354 -6.836 1.00 0.00 C ATOM 441 CD ARG A 24 4.312 -17.723 -6.465 1.00 0.00 C ATOM 442 NE ARG A 24 4.265 -18.694 -7.579 1.00 0.00 N ATOM 443 CZ ARG A 24 4.870 -19.878 -7.619 1.00 0.00 C ATOM 444 NH1 ARG A 24 5.535 -20.349 -6.588 1.00 0.00 N ATOM 445 NH2 ARG A 24 4.826 -20.618 -8.703 1.00 0.00 N ATOM 0 H ARG A 24 1.108 -14.679 -5.284 1.00 0.00 H new ATOM 0 HA ARG A 24 2.332 -14.440 -7.938 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.755 -16.712 -6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.883 -17.084 -7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.144 -16.027 -7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.016 -15.621 -6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.347 -17.591 -6.148 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.767 -18.129 -5.613 1.00 0.00 H new ATOM 0 HE ARG A 24 3.715 -18.430 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.597 -19.803 -5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.989 -21.260 -6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.324 -20.287 -9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.294 -21.524 -8.721 1.00 0.00 H new ATOM 459 N ARG A 25 -0.840 -14.879 -7.482 1.00 0.00 N ATOM 460 CA ARG A 25 -2.170 -15.043 -8.101 1.00 0.00 C ATOM 461 C ARG A 25 -2.603 -13.844 -8.967 1.00 0.00 C ATOM 462 O ARG A 25 -3.262 -14.063 -9.977 1.00 0.00 O ATOM 463 CB ARG A 25 -3.202 -15.350 -6.996 1.00 0.00 C ATOM 464 CG ARG A 25 -4.177 -16.505 -7.270 1.00 0.00 C ATOM 465 CD ARG A 25 -5.012 -16.726 -5.994 1.00 0.00 C ATOM 466 NE ARG A 25 -5.742 -18.006 -5.983 1.00 0.00 N ATOM 467 CZ ARG A 25 -6.358 -18.540 -4.931 1.00 0.00 C ATOM 468 NH1 ARG A 25 -6.419 -17.918 -3.774 1.00 0.00 N ATOM 469 NH2 ARG A 25 -6.925 -19.721 -5.015 1.00 0.00 N ATOM 0 H ARG A 25 -0.892 -14.575 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.111 -15.880 -8.797 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.661 -15.571 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.785 -14.447 -6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.824 -16.267 -8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.632 -17.412 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.353 -16.685 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.726 -15.909 -5.891 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.778 -18.528 -6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.987 -17.000 -3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.898 -18.353 -2.986 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.896 -20.239 -5.893 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.394 -20.120 -4.202 1.00 0.00 H new ATOM 483 N TYR A 26 -2.244 -12.604 -8.584 1.00 0.00 N ATOM 484 CA TYR A 26 -2.622 -11.357 -9.287 1.00 0.00 C ATOM 485 C TYR A 26 -1.595 -10.210 -9.218 1.00 0.00 C ATOM 486 O TYR A 26 -1.614 -9.347 -10.095 1.00 0.00 O ATOM 487 CB TYR A 26 -3.935 -10.785 -8.719 1.00 0.00 C ATOM 488 CG TYR A 26 -5.079 -11.767 -8.618 1.00 0.00 C ATOM 489 CD1 TYR A 26 -5.839 -12.099 -9.757 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.342 -12.390 -7.386 1.00 0.00 C ATOM 491 CE1 TYR A 26 -6.844 -13.080 -9.671 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.320 -13.393 -7.304 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.074 -13.742 -8.448 1.00 0.00 C ATOM 494 OH TYR A 26 -8.018 -14.720 -8.377 1.00 0.00 O ATOM 0 H TYR A 26 -1.670 -12.434 -7.758 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.703 -11.677 -10.326 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.736 -10.381 -7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.249 -9.950 -9.346 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.650 -11.600 -10.696 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.792 -12.097 -6.504 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.437 -13.325 -10.539 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.497 -13.899 -6.366 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.052 -15.076 -7.465 1.00 0.00 H new ATOM 504 N GLY A 27 -0.754 -10.148 -8.174 1.00 0.00 N ATOM 505 CA GLY A 27 0.144 -9.013 -7.922 1.00 0.00 C ATOM 506 C GLY A 27 -0.495 -7.838 -7.162 1.00 0.00 C ATOM 507 O GLY A 27 -0.012 -6.714 -7.288 1.00 0.00 O ATOM 0 H GLY A 27 -0.678 -10.889 -7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.005 -9.368 -7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.520 -8.647 -8.877 1.00 0.00 H new ATOM 511 N PHE A 28 -1.571 -8.069 -6.396 1.00 0.00 N ATOM 512 CA PHE A 28 -2.229 -7.075 -5.531 1.00 0.00 C ATOM 513 C PHE A 28 -2.290 -7.589 -4.078 1.00 0.00 C ATOM 514 O PHE A 28 -2.725 -8.721 -3.890 1.00 0.00 O ATOM 515 CB PHE A 28 -3.645 -6.791 -6.058 1.00 0.00 C ATOM 516 CG PHE A 28 -4.535 -5.979 -5.125 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.272 -6.624 -4.109 1.00 0.00 C ATOM 518 CD2 PHE A 28 -4.655 -4.585 -5.284 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.147 -5.893 -3.289 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.518 -3.849 -4.451 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.272 -4.504 -3.462 1.00 0.00 C ATOM 0 H PHE A 28 -2.023 -8.983 -6.359 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.652 -6.150 -5.544 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.562 -6.261 -7.007 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.136 -7.742 -6.265 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.162 -7.688 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.083 -4.079 -6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.723 -6.397 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.601 -2.779 -4.572 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.947 -3.940 -2.835 1.00 0.00 H new ATOM 531 N PRO A 29 -1.928 -6.792 -3.050 1.00 0.00 N ATOM 532 CA PRO A 29 -1.209 -5.521 -3.153 1.00 0.00 C ATOM 533 C PRO A 29 0.181 -5.710 -3.777 1.00 0.00 C ATOM 534 O PRO A 29 0.633 -6.838 -3.984 1.00 0.00 O ATOM 535 CB PRO A 29 -1.142 -4.973 -1.727 1.00 0.00 C ATOM 536 CG PRO A 29 -1.243 -6.211 -0.838 1.00 0.00 C ATOM 537 CD PRO A 29 -2.103 -7.170 -1.655 1.00 0.00 C ATOM 0 HA PRO A 29 -1.717 -4.819 -3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.211 -4.433 -1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.956 -4.276 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.261 -6.634 -0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.703 -5.979 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.796 -8.203 -1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.150 -7.098 -1.362 1.00 0.00 H new ATOM 545 N ARG A 30 0.854 -4.603 -4.111 1.00 0.00 N ATOM 546 CA ARG A 30 2.012 -4.609 -5.014 1.00 0.00 C ATOM 547 C ARG A 30 3.269 -4.115 -4.281 1.00 0.00 C ATOM 548 O ARG A 30 3.406 -2.908 -4.089 1.00 0.00 O ATOM 549 CB ARG A 30 1.675 -3.851 -6.313 1.00 0.00 C ATOM 550 CG ARG A 30 1.254 -2.379 -6.140 1.00 0.00 C ATOM 551 CD ARG A 30 2.302 -1.378 -6.646 1.00 0.00 C ATOM 552 NE ARG A 30 1.825 -0.681 -7.855 1.00 0.00 N ATOM 553 CZ ARG A 30 2.519 0.128 -8.642 1.00 0.00 C ATOM 554 NH1 ARG A 30 3.797 0.349 -8.449 1.00 0.00 N ATOM 555 NH2 ARG A 30 1.929 0.734 -9.647 1.00 0.00 N ATOM 0 H ARG A 30 0.611 -3.676 -3.762 1.00 0.00 H new ATOM 0 HA ARG A 30 2.248 -5.627 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.546 -3.886 -6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.871 -4.382 -6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.318 -2.212 -6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.059 -2.187 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.522 -0.650 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.233 -1.900 -6.866 1.00 0.00 H new ATOM 0 HE ARG A 30 0.851 -0.840 -8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.282 -0.107 -7.677 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.306 0.977 -9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.936 0.582 -9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.464 1.357 -10.252 1.00 0.00 H new ATOM 569 N PRO A 31 4.169 -5.016 -3.830 1.00 0.00 N ATOM 570 CA PRO A 31 5.249 -4.668 -2.906 1.00 0.00 C ATOM 571 C PRO A 31 6.133 -3.548 -3.459 1.00 0.00 C ATOM 572 O PRO A 31 6.595 -3.623 -4.599 1.00 0.00 O ATOM 573 CB PRO A 31 6.025 -5.965 -2.655 1.00 0.00 C ATOM 574 CG PRO A 31 5.680 -6.841 -3.856 1.00 0.00 C ATOM 575 CD PRO A 31 4.235 -6.440 -4.142 1.00 0.00 C ATOM 0 HA PRO A 31 4.858 -4.270 -1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.098 -5.782 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.724 -6.435 -1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.333 -6.643 -4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.770 -7.902 -3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.972 -6.629 -5.183 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.538 -7.011 -3.529 1.00 0.00 H new ATOM 583 N LEU A 32 6.331 -2.489 -2.663 1.00 0.00 N ATOM 584 CA LEU A 32 7.074 -1.313 -3.126 1.00 0.00 C ATOM 585 C LEU A 32 8.548 -1.665 -3.411 1.00 0.00 C ATOM 586 O LEU A 32 9.134 -2.543 -2.778 1.00 0.00 O ATOM 587 CB LEU A 32 6.982 -0.130 -2.137 1.00 0.00 C ATOM 588 CG LEU A 32 5.605 0.176 -1.514 1.00 0.00 C ATOM 589 CD1 LEU A 32 5.696 1.476 -0.708 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.474 0.326 -2.535 1.00 0.00 C ATOM 0 H LEU A 32 5.990 -2.424 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 32 6.604 -0.994 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.684 -0.316 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.323 0.767 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 32 5.360 -0.682 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.725 1.698 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.438 1.363 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.989 2.293 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.540 0.540 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.705 1.144 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.370 -0.599 -3.101 1.00 0.00 H new ATOM 732 N VAL A 41 6.983 -4.539 1.839 1.00 0.00 N ATOM 733 CA VAL A 41 6.609 -3.136 2.079 1.00 0.00 C ATOM 734 C VAL A 41 5.392 -2.729 1.238 1.00 0.00 C ATOM 735 O VAL A 41 5.307 -3.102 0.067 1.00 0.00 O ATOM 736 CB VAL A 41 7.777 -2.183 1.741 1.00 0.00 C ATOM 737 CG1 VAL A 41 8.833 -2.168 2.851 1.00 0.00 C ATOM 738 CG2 VAL A 41 8.485 -2.516 0.419 1.00 0.00 C ATOM 0 HA VAL A 41 6.362 -3.055 3.138 1.00 0.00 H new ATOM 0 HB VAL A 41 7.309 -1.204 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.639 -1.487 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.376 -1.835 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.236 -3.172 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.293 -1.804 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.895 -3.525 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.770 -2.456 -0.402 1.00 0.00 H new ATOM 748 N TYR A 42 4.493 -1.918 1.808 1.00 0.00 N ATOM 749 CA TYR A 42 3.287 -1.420 1.126 1.00 0.00 C ATOM 750 C TYR A 42 2.932 0.015 1.539 1.00 0.00 C ATOM 751 O TYR A 42 3.443 0.521 2.541 1.00 0.00 O ATOM 752 CB TYR A 42 2.104 -2.352 1.416 1.00 0.00 C ATOM 753 CG TYR A 42 2.304 -3.766 0.912 1.00 0.00 C ATOM 754 CD1 TYR A 42 2.173 -4.064 -0.459 1.00 0.00 C ATOM 755 CD2 TYR A 42 2.679 -4.774 1.813 1.00 0.00 C ATOM 756 CE1 TYR A 42 2.348 -5.383 -0.916 1.00 0.00 C ATOM 757 CE2 TYR A 42 2.888 -6.081 1.347 1.00 0.00 C ATOM 758 CZ TYR A 42 2.691 -6.401 -0.010 1.00 0.00 C ATOM 759 OH TYR A 42 2.833 -7.682 -0.443 1.00 0.00 O ATOM 0 H TYR A 42 4.581 -1.584 2.768 1.00 0.00 H new ATOM 0 HA TYR A 42 3.500 -1.407 0.057 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.931 -2.380 2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.206 -1.937 0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.938 -3.278 -1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.806 -4.545 2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.219 -5.613 -1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.203 -6.850 2.037 1.00 0.00 H new ATOM 0 HH TYR A 42 3.073 -8.258 0.313 1.00 0.00 H new ATOM 769 N SER A 43 2.025 0.648 0.786 1.00 0.00 N ATOM 770 CA SER A 43 1.543 2.014 1.036 1.00 0.00 C ATOM 771 C SER A 43 0.087 2.069 1.528 1.00 0.00 C ATOM 772 O SER A 43 -0.677 1.111 1.408 1.00 0.00 O ATOM 773 CB SER A 43 1.733 2.853 -0.235 1.00 0.00 C ATOM 774 OG SER A 43 1.519 4.216 0.061 1.00 0.00 O ATOM 0 H SER A 43 1.595 0.217 -0.032 1.00 0.00 H new ATOM 0 HA SER A 43 2.137 2.430 1.850 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.739 2.710 -0.630 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.037 2.525 -1.007 1.00 0.00 H new ATOM 0 HG SER A 43 1.642 4.750 -0.751 1.00 0.00 H new ATOM 780 N ARG A 44 -0.318 3.219 2.090 1.00 0.00 N ATOM 781 CA ARG A 44 -1.649 3.437 2.687 1.00 0.00 C ATOM 782 C ARG A 44 -2.779 3.409 1.646 1.00 0.00 C ATOM 783 O ARG A 44 -3.868 2.924 1.935 1.00 0.00 O ATOM 784 CB ARG A 44 -1.668 4.767 3.460 1.00 0.00 C ATOM 785 CG ARG A 44 -2.610 4.747 4.676 1.00 0.00 C ATOM 786 CD ARG A 44 -1.969 4.038 5.886 1.00 0.00 C ATOM 787 NE ARG A 44 -2.466 4.565 7.175 1.00 0.00 N ATOM 788 CZ ARG A 44 -2.156 5.734 7.730 1.00 0.00 C ATOM 789 NH1 ARG A 44 -1.366 6.598 7.135 1.00 0.00 N ATOM 790 NH2 ARG A 44 -2.642 6.067 8.904 1.00 0.00 N ATOM 0 H ARG A 44 0.282 4.042 2.144 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.832 2.610 3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.657 5.000 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.972 5.568 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.871 5.769 4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.538 4.242 4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.176 2.969 5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.886 4.156 5.841 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.114 3.971 7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.970 6.381 6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.148 7.486 7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.263 5.427 9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.398 6.965 9.321 1.00 0.00 H new ATOM 804 N GLU A 45 -2.493 3.914 0.444 1.00 0.00 N ATOM 805 CA GLU A 45 -3.367 3.942 -0.736 1.00 0.00 C ATOM 806 C GLU A 45 -3.857 2.540 -1.122 1.00 0.00 C ATOM 807 O GLU A 45 -5.053 2.259 -1.050 1.00 0.00 O ATOM 808 CB GLU A 45 -2.653 4.643 -1.917 1.00 0.00 C ATOM 809 CG GLU A 45 -1.144 4.343 -1.992 1.00 0.00 C ATOM 810 CD GLU A 45 -0.507 4.733 -3.324 1.00 0.00 C ATOM 811 OE1 GLU A 45 -0.524 3.875 -4.234 1.00 0.00 O ATOM 812 OE2 GLU A 45 0.047 5.853 -3.380 1.00 0.00 O ATOM 0 H GLU A 45 -1.587 4.342 0.254 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.255 4.520 -0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.123 4.333 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.797 5.720 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.636 4.874 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.985 3.278 -1.821 1.00 0.00 H new ATOM 819 N GLU A 46 -2.941 1.637 -1.493 1.00 0.00 N ATOM 820 CA GLU A 46 -3.280 0.240 -1.757 1.00 0.00 C ATOM 821 C GLU A 46 -3.861 -0.440 -0.510 1.00 0.00 C ATOM 822 O GLU A 46 -4.810 -1.203 -0.648 1.00 0.00 O ATOM 823 CB GLU A 46 -2.079 -0.527 -2.337 1.00 0.00 C ATOM 824 CG GLU A 46 -0.914 -0.641 -1.348 1.00 0.00 C ATOM 825 CD GLU A 46 0.336 -1.287 -1.939 1.00 0.00 C ATOM 826 OE1 GLU A 46 0.201 -2.235 -2.755 1.00 0.00 O ATOM 827 OE2 GLU A 46 1.423 -0.851 -1.500 1.00 0.00 O ATOM 0 H GLU A 46 -1.952 1.855 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.061 0.223 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.399 -1.527 -2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.735 -0.024 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.660 0.355 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.238 -1.222 -0.485 1.00 0.00 H new ATOM 834 N VAL A 47 -3.371 -0.134 0.703 1.00 0.00 N ATOM 835 CA VAL A 47 -3.946 -0.668 1.948 1.00 0.00 C ATOM 836 C VAL A 47 -5.422 -0.308 2.108 1.00 0.00 C ATOM 837 O VAL A 47 -6.174 -1.178 2.534 1.00 0.00 O ATOM 838 CB VAL A 47 -3.111 -0.267 3.180 1.00 0.00 C ATOM 839 CG1 VAL A 47 -3.859 -0.370 4.520 1.00 0.00 C ATOM 840 CG2 VAL A 47 -1.886 -1.181 3.275 1.00 0.00 C ATOM 0 H VAL A 47 -2.573 0.484 0.847 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.903 -1.755 1.875 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.852 0.781 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.196 -0.069 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.730 0.285 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.182 -1.399 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.291 -0.903 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.211 -2.216 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.282 -1.075 2.373 1.00 0.00 H new ATOM 850 N GLU A 48 -5.873 0.902 1.753 1.00 0.00 N ATOM 851 CA GLU A 48 -7.302 1.240 1.757 1.00 0.00 C ATOM 852 C GLU A 48 -8.099 0.274 0.870 1.00 0.00 C ATOM 853 O GLU A 48 -9.059 -0.348 1.343 1.00 0.00 O ATOM 854 CB GLU A 48 -7.517 2.699 1.328 1.00 0.00 C ATOM 855 CG GLU A 48 -9.002 3.101 1.397 1.00 0.00 C ATOM 856 CD GLU A 48 -9.252 4.085 2.544 1.00 0.00 C ATOM 857 OE1 GLU A 48 -9.119 3.614 3.716 1.00 0.00 O ATOM 858 OE2 GLU A 48 -9.583 5.255 2.227 1.00 0.00 O ATOM 0 H GLU A 48 -5.265 1.666 1.458 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.674 1.133 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.932 3.357 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.150 2.837 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.304 3.554 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.617 2.212 1.535 1.00 0.00 H new ATOM 865 N ALA A 49 -7.669 0.117 -0.390 1.00 0.00 N ATOM 866 CA ALA A 49 -8.251 -0.846 -1.318 1.00 0.00 C ATOM 867 C ALA A 49 -8.229 -2.263 -0.730 1.00 0.00 C ATOM 868 O ALA A 49 -9.273 -2.907 -0.673 1.00 0.00 O ATOM 869 CB ALA A 49 -7.532 -0.770 -2.672 1.00 0.00 C ATOM 0 H ALA A 49 -6.904 0.660 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.298 -0.592 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.973 -1.492 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.637 0.234 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.475 -0.997 -2.536 1.00 0.00 H new ATOM 875 N VAL A 50 -7.073 -2.742 -0.248 1.00 0.00 N ATOM 876 CA VAL A 50 -6.929 -4.080 0.341 1.00 0.00 C ATOM 877 C VAL A 50 -7.828 -4.269 1.559 1.00 0.00 C ATOM 878 O VAL A 50 -8.445 -5.323 1.662 1.00 0.00 O ATOM 879 CB VAL A 50 -5.477 -4.413 0.725 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.396 -5.815 1.350 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.528 -4.428 -0.472 1.00 0.00 C ATOM 0 H VAL A 50 -6.205 -2.207 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.240 -4.771 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.177 -3.629 1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.362 -6.036 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.017 -5.851 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.752 -6.554 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.520 -4.669 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.859 -5.178 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.526 -3.447 -0.947 1.00 0.00 H new ATOM 891 N ARG A 51 -7.940 -3.286 2.466 1.00 0.00 N ATOM 892 CA ARG A 51 -8.838 -3.360 3.627 1.00 0.00 C ATOM 893 C ARG A 51 -10.280 -3.586 3.167 1.00 0.00 C ATOM 894 O ARG A 51 -10.960 -4.473 3.687 1.00 0.00 O ATOM 895 CB ARG A 51 -8.736 -2.091 4.502 1.00 0.00 C ATOM 896 CG ARG A 51 -8.666 -2.433 5.995 1.00 0.00 C ATOM 897 CD ARG A 51 -9.188 -1.297 6.890 1.00 0.00 C ATOM 898 NE ARG A 51 -8.280 -0.131 7.008 1.00 0.00 N ATOM 899 CZ ARG A 51 -8.297 1.034 6.351 1.00 0.00 C ATOM 900 NH1 ARG A 51 -8.955 1.251 5.230 1.00 0.00 N ATOM 901 NH2 ARG A 51 -7.631 2.049 6.842 1.00 0.00 N ATOM 0 H ARG A 51 -7.409 -2.417 2.414 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.528 -4.207 4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.850 -1.523 4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.598 -1.451 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.247 -3.335 6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.634 -2.657 6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.146 -0.955 6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.376 -1.696 7.887 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.530 -0.232 7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.500 0.501 4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.919 2.169 4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.110 1.944 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.633 2.945 6.354 1.00 0.00 H new ATOM 915 N ARG A 52 -10.711 -2.812 2.158 1.00 0.00 N ATOM 916 CA ARG A 52 -11.984 -3.004 1.457 1.00 0.00 C ATOM 917 C ARG A 52 -12.093 -4.412 0.878 1.00 0.00 C ATOM 918 O ARG A 52 -12.980 -5.138 1.309 1.00 0.00 O ATOM 919 CB ARG A 52 -12.207 -1.909 0.394 1.00 0.00 C ATOM 920 CG ARG A 52 -13.299 -0.940 0.858 1.00 0.00 C ATOM 921 CD ARG A 52 -13.557 0.171 -0.170 1.00 0.00 C ATOM 922 NE ARG A 52 -14.952 0.651 -0.114 1.00 0.00 N ATOM 923 CZ ARG A 52 -15.563 1.285 0.879 1.00 0.00 C ATOM 924 NH1 ARG A 52 -14.921 1.687 1.951 1.00 0.00 N ATOM 925 NH2 ARG A 52 -16.852 1.520 0.811 1.00 0.00 N ATOM 0 H ARG A 52 -10.172 -2.022 1.803 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.789 -2.903 2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.278 -1.366 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.493 -2.364 -0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.222 -1.492 1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.008 -0.494 1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.878 1.003 0.015 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.340 -0.201 -1.171 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.518 0.473 -0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.920 1.515 2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.424 2.172 2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.384 1.215 -0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.323 2.007 1.574 1.00 0.00 H new ATOM 939 N VAL A 53 -11.194 -4.813 -0.034 1.00 0.00 N ATOM 940 CA VAL A 53 -11.157 -6.146 -0.660 1.00 0.00 C ATOM 941 C VAL A 53 -11.248 -7.250 0.401 1.00 0.00 C ATOM 942 O VAL A 53 -12.165 -8.064 0.354 1.00 0.00 O ATOM 943 CB VAL A 53 -9.919 -6.317 -1.578 1.00 0.00 C ATOM 944 CG1 VAL A 53 -9.821 -7.738 -2.150 1.00 0.00 C ATOM 945 CG2 VAL A 53 -9.936 -5.328 -2.758 1.00 0.00 C ATOM 0 H VAL A 53 -10.449 -4.201 -0.367 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.032 -6.238 -1.303 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.055 -6.116 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.940 -7.814 -2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.740 -8.455 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.713 -7.956 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.051 -5.483 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.831 -5.493 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.939 -4.307 -2.377 1.00 0.00 H new ATOM 955 N ALA A 54 -10.351 -7.260 1.390 1.00 0.00 N ATOM 956 CA ALA A 54 -10.314 -8.221 2.486 1.00 0.00 C ATOM 957 C ALA A 54 -11.659 -8.356 3.212 1.00 0.00 C ATOM 958 O ALA A 54 -12.113 -9.483 3.427 1.00 0.00 O ATOM 959 CB ALA A 54 -9.200 -7.819 3.457 1.00 0.00 C ATOM 0 H ALA A 54 -9.602 -6.570 1.448 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.108 -9.206 2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.162 -8.531 4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.244 -7.819 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.400 -6.821 3.847 1.00 0.00 H new ATOM 965 N ARG A 55 -12.303 -7.235 3.578 1.00 0.00 N ATOM 966 CA ARG A 55 -13.616 -7.274 4.232 1.00 0.00 C ATOM 967 C ARG A 55 -14.764 -7.583 3.259 1.00 0.00 C ATOM 968 O ARG A 55 -15.753 -8.168 3.686 1.00 0.00 O ATOM 969 CB ARG A 55 -13.834 -5.992 5.055 1.00 0.00 C ATOM 970 CG ARG A 55 -14.857 -6.211 6.188 1.00 0.00 C ATOM 971 CD ARG A 55 -16.275 -5.724 5.857 1.00 0.00 C ATOM 972 NE ARG A 55 -16.477 -4.338 6.311 1.00 0.00 N ATOM 973 CZ ARG A 55 -17.642 -3.727 6.488 1.00 0.00 C ATOM 974 NH1 ARG A 55 -18.776 -4.263 6.096 1.00 0.00 N ATOM 975 NH2 ARG A 55 -17.681 -2.554 7.078 1.00 0.00 N ATOM 0 H ARG A 55 -11.935 -6.295 3.431 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.623 -8.114 4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.885 -5.666 5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.181 -5.193 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.896 -7.274 6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.507 -5.696 7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.443 -5.786 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.008 -6.376 6.332 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.638 -3.793 6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.778 -5.176 5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.654 -3.766 6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.818 -2.115 7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.575 -2.082 7.216 1.00 0.00 H new ATOM 989 N LEU A 56 -14.614 -7.288 1.963 1.00 0.00 N ATOM 990 CA LEU A 56 -15.499 -7.759 0.893 1.00 0.00 C ATOM 991 C LEU A 56 -15.429 -9.290 0.723 1.00 0.00 C ATOM 992 O LEU A 56 -16.464 -9.919 0.526 1.00 0.00 O ATOM 993 CB LEU A 56 -15.161 -7.052 -0.441 1.00 0.00 C ATOM 994 CG LEU A 56 -16.271 -6.218 -1.109 1.00 0.00 C ATOM 995 CD1 LEU A 56 -17.620 -6.936 -1.196 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.459 -4.872 -0.404 1.00 0.00 C ATOM 0 H LEU A 56 -13.854 -6.700 1.621 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.520 -7.506 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.308 -6.397 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.839 -7.813 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 56 -15.925 -6.058 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.349 -6.284 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.509 -7.850 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.965 -7.186 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.249 -4.309 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.733 -5.042 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.528 -4.306 -0.446 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.245 -9.921 0.833 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.141 -11.393 0.800 1.00 0.00 C ATOM 1010 C ILE A 57 -15.012 -12.045 1.880 1.00 0.00 C ATOM 1011 O ILE A 57 -15.645 -13.056 1.589 1.00 0.00 O ATOM 1012 CB ILE A 57 -12.680 -11.917 0.858 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.041 -11.961 -0.548 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.603 -13.343 1.460 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -11.462 -10.629 -1.006 1.00 0.00 C ATOM 0 H ILE A 57 -13.353 -9.439 0.945 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.526 -11.692 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.136 -11.220 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.250 -12.711 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.792 -12.286 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.564 -13.673 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.003 -13.332 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.188 -14.029 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.032 -10.742 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.253 -9.879 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.686 -10.311 -0.310 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.089 -11.479 3.091 1.00 0.00 N ATOM 1028 CA GLN A 58 -15.965 -12.007 4.145 1.00 0.00 C ATOM 1029 C GLN A 58 -17.457 -12.049 3.748 1.00 0.00 C ATOM 1030 O GLN A 58 -18.212 -12.777 4.385 1.00 0.00 O ATOM 1031 CB GLN A 58 -15.740 -11.234 5.459 1.00 0.00 C ATOM 1032 CG GLN A 58 -14.522 -11.742 6.251 1.00 0.00 C ATOM 1033 CD GLN A 58 -14.776 -13.095 6.921 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -15.715 -13.280 7.675 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -13.937 -14.090 6.701 1.00 0.00 N ATOM 0 H GLN A 58 -14.555 -10.655 3.366 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.686 -13.049 4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.605 -10.176 5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.632 -11.317 6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.667 -11.828 5.580 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.257 -11.008 7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.144 -13.959 6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.082 -14.990 7.158 1.00 0.00 H new ATOM 1044 N GLU A 59 -17.874 -11.360 2.672 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.221 -11.481 2.102 1.00 0.00 C ATOM 1046 C GLU A 59 -19.378 -12.698 1.161 1.00 0.00 C ATOM 1047 O GLU A 59 -20.502 -13.152 0.960 1.00 0.00 O ATOM 1048 CB GLU A 59 -19.587 -10.204 1.314 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.295 -8.845 1.985 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.179 -8.485 3.188 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -20.566 -9.403 3.945 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -20.428 -7.266 3.365 1.00 0.00 O ATOM 0 H GLU A 59 -17.279 -10.699 2.172 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.893 -11.623 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.055 -10.231 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.652 -10.244 1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -18.254 -8.838 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -19.400 -8.062 1.235 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.289 -13.224 0.566 1.00 0.00 N ATOM 1060 CA GLU A 60 -18.336 -14.319 -0.424 1.00 0.00 C ATOM 1061 C GLU A 60 -16.973 -14.986 -0.700 1.00 0.00 C ATOM 1062 O GLU A 60 -16.844 -16.201 -0.580 1.00 0.00 O ATOM 1063 CB GLU A 60 -18.894 -13.810 -1.778 1.00 0.00 C ATOM 1064 CG GLU A 60 -20.267 -14.407 -2.128 1.00 0.00 C ATOM 1065 CD GLU A 60 -20.551 -14.379 -3.638 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -19.961 -13.524 -4.339 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.337 -15.244 -4.085 1.00 0.00 O ATOM 0 H GLU A 60 -17.343 -12.897 0.761 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.989 -15.068 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -18.975 -12.723 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.186 -14.053 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.314 -15.436 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.045 -13.852 -1.604 1.00 0.00 H new ATOM 1074 N GLY A 61 -15.985 -14.206 -1.164 1.00 0.00 N ATOM 1075 CA GLY A 61 -14.685 -14.684 -1.654 1.00 0.00 C ATOM 1076 C GLY A 61 -14.402 -14.355 -3.125 1.00 0.00 C ATOM 1077 O GLY A 61 -13.254 -14.067 -3.463 1.00 0.00 O ATOM 0 H GLY A 61 -16.073 -13.191 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.897 -14.250 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.635 -15.765 -1.520 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.430 -14.301 -3.986 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.336 -13.853 -5.389 1.00 0.00 C ATOM 1083 C LEU A 62 -14.652 -12.480 -5.511 1.00 0.00 C ATOM 1084 O LEU A 62 -13.857 -12.249 -6.425 1.00 0.00 O ATOM 1085 CB LEU A 62 -16.759 -13.856 -5.982 1.00 0.00 C ATOM 1086 CG LEU A 62 -16.967 -13.115 -7.322 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.067 -13.619 -8.460 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.422 -13.290 -7.761 1.00 0.00 C ATOM 0 H LEU A 62 -16.376 -14.575 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.704 -14.537 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.066 -14.893 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.433 -13.418 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.706 -12.072 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.273 -13.049 -9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.021 -13.491 -8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.267 -14.675 -8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -18.582 -12.771 -8.706 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.639 -14.351 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.084 -12.873 -7.002 1.00 0.00 H new ATOM 1100 N SER A 63 -14.883 -11.612 -4.520 1.00 0.00 N ATOM 1101 CA SER A 63 -14.220 -10.319 -4.360 1.00 0.00 C ATOM 1102 C SER A 63 -12.689 -10.365 -4.333 1.00 0.00 C ATOM 1103 O SER A 63 -12.096 -9.302 -4.474 1.00 0.00 O ATOM 1104 CB SER A 63 -14.729 -9.617 -3.107 1.00 0.00 C ATOM 1105 OG SER A 63 -15.997 -9.054 -3.359 1.00 0.00 O ATOM 0 H SER A 63 -15.562 -11.800 -3.782 1.00 0.00 H new ATOM 0 HA SER A 63 -14.481 -9.760 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.793 -10.326 -2.282 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.028 -8.839 -2.805 1.00 0.00 H new ATOM 0 HG SER A 63 -15.923 -8.077 -3.379 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.035 -11.535 -4.241 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.624 -11.666 -4.631 1.00 0.00 C ATOM 1113 C VAL A 64 -10.437 -11.145 -6.057 1.00 0.00 C ATOM 1114 O VAL A 64 -9.849 -10.087 -6.243 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.111 -13.116 -4.484 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -8.746 -13.287 -5.159 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -9.956 -13.524 -3.016 1.00 0.00 C ATOM 0 H VAL A 64 -12.459 -12.398 -3.902 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.023 -11.062 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.858 -13.750 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.408 -14.316 -5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.833 -13.053 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.025 -12.613 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.593 -14.550 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.243 -12.860 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.921 -13.452 -2.515 1.00 0.00 H new ATOM 1127 N SER A 65 -10.932 -11.871 -7.064 1.00 0.00 N ATOM 1128 CA SER A 65 -10.764 -11.461 -8.457 1.00 0.00 C ATOM 1129 C SER A 65 -11.618 -10.228 -8.759 1.00 0.00 C ATOM 1130 O SER A 65 -11.131 -9.291 -9.389 1.00 0.00 O ATOM 1131 CB SER A 65 -11.093 -12.624 -9.395 1.00 0.00 C ATOM 1132 OG SER A 65 -10.691 -12.303 -10.709 1.00 0.00 O ATOM 0 H SER A 65 -11.450 -12.741 -6.939 1.00 0.00 H new ATOM 0 HA SER A 65 -9.723 -11.186 -8.624 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.586 -13.529 -9.060 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.163 -12.831 -9.372 1.00 0.00 H new ATOM 0 HG SER A 65 -10.901 -13.050 -11.307 1.00 0.00 H new ATOM 1138 N GLU A 66 -12.861 -10.187 -8.254 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.775 -9.075 -8.517 1.00 0.00 C ATOM 1140 C GLU A 66 -13.262 -7.740 -7.977 1.00 0.00 C ATOM 1141 O GLU A 66 -13.094 -6.823 -8.770 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.200 -9.352 -8.005 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.209 -9.551 -9.147 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.526 -8.849 -8.819 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -18.337 -9.450 -8.083 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -17.667 -7.683 -9.263 1.00 0.00 O ATOM 0 H GLU A 66 -13.253 -10.917 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.818 -8.991 -9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.189 -10.242 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.525 -8.521 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.800 -9.155 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.385 -10.615 -9.304 1.00 0.00 H new ATOM 1153 N ALA A 67 -13.014 -7.587 -6.668 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.666 -6.273 -6.129 1.00 0.00 C ATOM 1155 C ALA A 67 -11.264 -5.809 -6.576 1.00 0.00 C ATOM 1156 O ALA A 67 -11.042 -4.605 -6.706 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.861 -6.247 -4.613 1.00 0.00 C ATOM 0 H ALA A 67 -13.048 -8.340 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.353 -5.539 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.597 -5.262 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.903 -6.462 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.222 -6.999 -4.151 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.352 -6.742 -6.908 1.00 0.00 N ATOM 1164 CA ILE A 68 -9.115 -6.434 -7.644 1.00 0.00 C ATOM 1165 C ILE A 68 -9.455 -5.887 -9.041 1.00 0.00 C ATOM 1166 O ILE A 68 -9.016 -4.791 -9.384 1.00 0.00 O ATOM 1167 CB ILE A 68 -8.154 -7.650 -7.700 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.630 -7.956 -6.277 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -6.958 -7.365 -8.633 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.797 -9.244 -6.152 1.00 0.00 C ATOM 0 H ILE A 68 -10.453 -7.729 -6.673 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.576 -5.656 -7.102 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.703 -8.507 -8.091 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.023 -7.115 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.481 -8.025 -5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.299 -8.233 -8.655 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.323 -7.160 -9.640 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.407 -6.500 -8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.476 -9.371 -5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.403 -10.099 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.922 -9.175 -6.798 1.00 0.00 H new ATOM 1182 N ALA A 69 -10.228 -6.619 -9.855 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.618 -6.180 -11.196 1.00 0.00 C ATOM 1184 C ALA A 69 -11.367 -4.836 -11.180 1.00 0.00 C ATOM 1185 O ALA A 69 -11.041 -3.962 -11.980 1.00 0.00 O ATOM 1186 CB ALA A 69 -11.438 -7.282 -11.875 1.00 0.00 C ATOM 0 H ALA A 69 -10.600 -7.534 -9.599 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.712 -6.005 -11.776 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.729 -6.956 -12.874 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.838 -8.189 -11.950 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.332 -7.486 -11.285 1.00 0.00 H new ATOM 1192 N GLN A 70 -12.301 -4.644 -10.240 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.965 -3.373 -9.943 1.00 0.00 C ATOM 1194 C GLN A 70 -11.921 -2.277 -9.681 1.00 0.00 C ATOM 1195 O GLN A 70 -11.799 -1.356 -10.486 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.922 -3.523 -8.747 1.00 0.00 C ATOM 1197 CG GLN A 70 -15.180 -4.382 -9.002 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.910 -4.736 -7.700 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.698 -4.142 -6.652 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.792 -5.716 -7.681 1.00 0.00 N ATOM 0 H GLN A 70 -12.627 -5.403 -9.642 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.559 -3.080 -10.809 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.369 -3.959 -7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.240 -2.529 -8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.859 -3.843 -9.663 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.894 -5.299 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.996 -6.235 -8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.270 -5.955 -6.812 1.00 0.00 H new ATOM 1209 N VAL A 71 -11.109 -2.385 -8.616 1.00 0.00 N ATOM 1210 CA VAL A 71 -10.170 -1.309 -8.262 1.00 0.00 C ATOM 1211 C VAL A 71 -9.067 -1.078 -9.313 1.00 0.00 C ATOM 1212 O VAL A 71 -8.504 0.013 -9.360 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.613 -1.501 -6.834 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -8.395 -2.432 -6.757 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -9.258 -0.149 -6.203 1.00 0.00 C ATOM 0 H VAL A 71 -11.083 -3.193 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.745 -0.383 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.415 -1.983 -6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.065 -2.514 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.667 -3.419 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.587 -2.025 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.868 -0.308 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.503 0.349 -6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.151 0.474 -6.151 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.774 -2.061 -10.186 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.891 -1.883 -11.351 1.00 0.00 C ATOM 1227 C LYS A 72 -8.585 -1.321 -12.603 1.00 0.00 C ATOM 1228 O LYS A 72 -7.884 -0.774 -13.454 1.00 0.00 O ATOM 1229 CB LYS A 72 -7.177 -3.199 -11.704 1.00 0.00 C ATOM 1230 CG LYS A 72 -6.129 -3.619 -10.653 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.859 -4.200 -11.290 1.00 0.00 C ATOM 1232 CE LYS A 72 -5.139 -5.476 -12.096 1.00 0.00 C ATOM 1233 NZ LYS A 72 -3.935 -5.915 -12.843 1.00 0.00 N ATOM 0 H LYS A 72 -9.147 -3.007 -10.101 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.167 -1.130 -11.040 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.918 -3.992 -11.806 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.689 -3.092 -12.673 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.864 -2.755 -10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.567 -4.359 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.409 -3.452 -11.943 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.132 -4.420 -10.508 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.462 -6.270 -11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.957 -5.296 -12.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.154 -6.779 -13.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.642 -5.165 -13.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.163 -6.109 -12.174 1.00 0.00 H new ATOM 1247 N THR A 73 -9.909 -1.456 -12.751 1.00 0.00 N ATOM 1248 CA THR A 73 -10.667 -0.882 -13.882 1.00 0.00 C ATOM 1249 C THR A 73 -11.258 0.496 -13.554 1.00 0.00 C ATOM 1250 O THR A 73 -11.440 1.317 -14.452 1.00 0.00 O ATOM 1251 CB THR A 73 -11.717 -1.886 -14.408 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.997 -1.637 -15.767 1.00 0.00 O ATOM 1253 CG2 THR A 73 -13.061 -1.894 -13.677 1.00 0.00 C ATOM 0 H THR A 73 -10.492 -1.968 -12.089 1.00 0.00 H new ATOM 0 HA THR A 73 -9.964 -0.703 -14.696 1.00 0.00 H new ATOM 0 HB THR A 73 -11.248 -2.855 -14.236 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.662 -2.281 -16.087 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.718 -2.636 -14.131 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.903 -2.143 -12.628 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.521 -0.909 -13.751 1.00 0.00 H new ATOM 1261 N GLU A 74 -11.483 0.792 -12.269 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.719 2.144 -11.759 1.00 0.00 C ATOM 1263 C GLU A 74 -10.452 3.023 -11.864 1.00 0.00 C ATOM 1264 O GLU A 74 -9.332 2.511 -11.787 1.00 0.00 O ATOM 1265 CB GLU A 74 -12.163 2.063 -10.288 1.00 0.00 C ATOM 1266 CG GLU A 74 -13.585 1.508 -10.132 1.00 0.00 C ATOM 1267 CD GLU A 74 -13.964 1.408 -8.650 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -13.587 0.394 -8.022 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -14.621 2.357 -8.162 1.00 0.00 O ATOM 0 H GLU A 74 -11.506 0.080 -11.539 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.499 2.603 -12.367 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.467 1.431 -9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.113 3.056 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.293 2.154 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.651 0.524 -10.597 1.00 0.00 H new