USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 366 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 CYS SG : rot 159:sc= 0.196 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -1.38 K(o=-2,f=-1.4) USER MOD Set 1.3: A 45 CYS SG : rot -43:sc= -3.13! USER MOD Set 1.4: A 48 CYS SG : rot -69:sc= 1.42 USER MOD Set 1.5: A 50 THR OG1 : rot 77:sc= 0.906 USER MOD Set 2.1: A 37 GLN : amide:sc= 0.00331 X(o=-0.12,f=0) USER MOD Set 2.2: A 41 ASN : amide:sc= -0.126 X(o=-0.12,f=-0.037) USER MOD Set 3.1: A 11 CYS SG : rot -124:sc= -1.72! USER MOD Set 3.2: A 14 CYS SG : rot 155:sc= 0.398 USER MOD Set 3.3: A 31 CYS SG : rot -37:sc= 0.431 USER MOD Set 3.4: A 34 CYS SG : rot 129:sc= 0.0249 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 20 SER OG : rot -24:sc= 0.252 USER MOD Single : A 24 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.5) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 0.967 (180deg=0.465) USER MOD Single : A 30 SER OG : rot -59:sc= 0.762 USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0.827 (180deg=0.783) USER MOD Single : A 36 ASN : amide:sc= -0.24 K(o=-0.24,f=-4.4!) USER MOD Single : A 38 HIS : no HE2:sc= -0.427 K(o=-0.43,f=-2.7) USER MOD Single : A 40 MET CE :methyl 146:sc= -0.015 (180deg=-0.576) USER MOD Single : A 42 ASN : amide:sc= 0.0598 X(o=0.06,f=-0.19) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= -0.0146 (180deg=-0.125) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 10 3.710 -8.793 -10.902 1.00 0.00 N ATOM 130 CA LEU A 10 3.246 -9.150 -9.557 1.00 0.00 C ATOM 131 C LEU A 10 1.796 -8.685 -9.335 1.00 0.00 C ATOM 132 O LEU A 10 1.476 -7.513 -9.555 1.00 0.00 O ATOM 133 CB LEU A 10 4.191 -8.593 -8.470 1.00 0.00 C ATOM 134 CG LEU A 10 5.672 -9.110 -8.530 1.00 0.00 C ATOM 135 CD1 LEU A 10 6.549 -8.435 -7.450 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.737 -10.658 -8.396 1.00 0.00 C ATOM 0 HA LEU A 10 3.263 -10.237 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.201 -7.506 -8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.778 -8.841 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 10 6.069 -8.837 -9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.568 -8.815 -7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.553 -7.356 -7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.145 -8.657 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.776 -10.984 -8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.304 -10.959 -7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.177 -11.118 -9.210 1.00 0.00 H new ATOM 148 N CYS A 11 0.945 -9.647 -8.935 1.00 0.00 N ATOM 149 CA CYS A 11 -0.487 -9.438 -8.652 1.00 0.00 C ATOM 150 C CYS A 11 -0.674 -8.227 -7.707 1.00 0.00 C ATOM 151 O CYS A 11 -0.282 -8.326 -6.560 1.00 0.00 O ATOM 152 CB CYS A 11 -1.045 -10.715 -7.973 1.00 0.00 C ATOM 153 SG CYS A 11 -2.797 -10.608 -7.501 1.00 0.00 S ATOM 0 H CYS A 11 1.240 -10.613 -8.796 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.019 -9.239 -9.582 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.914 -11.559 -8.650 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.453 -10.927 -7.082 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.919 -10.848 -6.229 1.00 0.00 H new ATOM 158 N PRO A 12 -1.268 -7.075 -8.174 1.00 0.00 N ATOM 159 CA PRO A 12 -1.326 -5.801 -7.383 1.00 0.00 C ATOM 160 C PRO A 12 -2.125 -5.926 -6.059 1.00 0.00 C ATOM 161 O PRO A 12 -1.943 -5.126 -5.141 1.00 0.00 O ATOM 162 CB PRO A 12 -1.996 -4.800 -8.370 1.00 0.00 C ATOM 163 CG PRO A 12 -2.764 -5.666 -9.325 1.00 0.00 C ATOM 164 CD PRO A 12 -1.931 -6.916 -9.501 1.00 0.00 C ATOM 0 HA PRO A 12 -0.337 -5.488 -7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.654 -4.107 -7.846 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.251 -4.199 -8.891 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.751 -5.905 -8.930 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.916 -5.159 -10.278 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.548 -7.780 -9.748 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.203 -6.804 -10.304 1.00 0.00 H new ATOM 172 N ILE A 13 -3.002 -6.939 -5.996 1.00 0.00 N ATOM 173 CA ILE A 13 -3.800 -7.267 -4.801 1.00 0.00 C ATOM 174 C ILE A 13 -2.904 -7.808 -3.651 1.00 0.00 C ATOM 175 O ILE A 13 -3.218 -7.632 -2.470 1.00 0.00 O ATOM 176 CB ILE A 13 -4.895 -8.347 -5.173 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.787 -7.836 -6.354 1.00 0.00 C ATOM 178 CG2 ILE A 13 -5.771 -8.749 -3.954 1.00 0.00 C ATOM 179 CD1 ILE A 13 -6.812 -8.839 -6.862 1.00 0.00 C ATOM 0 H ILE A 13 -3.181 -7.563 -6.783 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.282 -6.353 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.366 -9.246 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.310 -6.935 -6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.139 -7.549 -7.182 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.506 -9.492 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.137 -9.169 -3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.285 -7.868 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.381 -8.395 -7.679 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.300 -9.732 -7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.490 -9.109 -6.052 1.00 0.00 H new ATOM 191 N CYS A 14 -1.766 -8.426 -4.026 1.00 0.00 N ATOM 192 CA CYS A 14 -0.971 -9.286 -3.123 1.00 0.00 C ATOM 193 C CYS A 14 0.512 -8.867 -3.018 1.00 0.00 C ATOM 194 O CYS A 14 1.117 -9.030 -1.955 1.00 0.00 O ATOM 195 CB CYS A 14 -1.082 -10.743 -3.611 1.00 0.00 C ATOM 196 SG CYS A 14 -2.786 -11.364 -3.702 1.00 0.00 S ATOM 0 H CYS A 14 -1.371 -8.344 -4.963 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.381 -9.177 -2.119 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.625 -10.821 -4.597 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.508 -11.384 -2.942 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.850 -12.330 -4.570 1.00 0.00 H new ATOM 201 N TYR A 15 1.067 -8.332 -4.128 1.00 0.00 N ATOM 202 CA TYR A 15 2.512 -7.993 -4.307 1.00 0.00 C ATOM 203 C TYR A 15 3.452 -9.231 -4.361 1.00 0.00 C ATOM 204 O TYR A 15 4.292 -9.319 -5.245 1.00 0.00 O ATOM 205 CB TYR A 15 3.021 -6.960 -3.256 1.00 0.00 C ATOM 206 CG TYR A 15 2.468 -5.533 -3.446 1.00 0.00 C ATOM 207 CD1 TYR A 15 1.141 -5.226 -3.127 1.00 0.00 C ATOM 208 CD2 TYR A 15 3.271 -4.498 -3.938 1.00 0.00 C ATOM 209 CE1 TYR A 15 0.637 -3.950 -3.290 1.00 0.00 C ATOM 210 CE2 TYR A 15 2.766 -3.219 -4.102 1.00 0.00 C ATOM 211 CZ TYR A 15 1.451 -2.953 -3.776 1.00 0.00 C ATOM 212 OH TYR A 15 0.952 -1.682 -3.928 1.00 0.00 O ATOM 0 H TYR A 15 0.511 -8.114 -4.955 1.00 0.00 H new ATOM 0 HA TYR A 15 2.558 -7.526 -5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.752 -7.311 -2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.110 -6.923 -3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.496 -6.004 -2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.301 -4.700 -4.194 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.391 -3.736 -3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.399 -2.432 -4.484 1.00 0.00 H new ATOM 0 HH TYR A 15 1.653 -1.095 -4.280 1.00 0.00 H new ATOM 222 N ALA A 16 3.293 -10.185 -3.427 1.00 0.00 N ATOM 223 CA ALA A 16 4.254 -11.284 -3.206 1.00 0.00 C ATOM 224 C ALA A 16 4.342 -12.281 -4.389 1.00 0.00 C ATOM 225 O ALA A 16 5.430 -12.770 -4.697 1.00 0.00 O ATOM 226 CB ALA A 16 3.907 -12.018 -1.894 1.00 0.00 C ATOM 0 H ALA A 16 2.490 -10.217 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 16 5.243 -10.831 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.617 -12.829 -1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.960 -11.318 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.899 -12.427 -1.961 1.00 0.00 H new ATOM 232 N HIS A 17 3.198 -12.584 -5.034 1.00 0.00 N ATOM 233 CA HIS A 17 3.115 -13.576 -6.144 1.00 0.00 C ATOM 234 C HIS A 17 2.631 -12.881 -7.432 1.00 0.00 C ATOM 235 O HIS A 17 1.886 -11.895 -7.346 1.00 0.00 O ATOM 236 CB HIS A 17 2.161 -14.746 -5.759 1.00 0.00 C ATOM 237 CG HIS A 17 2.701 -15.708 -4.724 1.00 0.00 C ATOM 238 ND1 HIS A 17 2.888 -17.050 -4.972 1.00 0.00 N ATOM 239 CD2 HIS A 17 3.067 -15.524 -3.428 1.00 0.00 C ATOM 240 CE1 HIS A 17 3.339 -17.641 -3.888 1.00 0.00 C ATOM 241 NE2 HIS A 17 3.460 -16.736 -2.940 1.00 0.00 N ATOM 0 H HIS A 17 2.302 -12.153 -4.806 1.00 0.00 H new ATOM 0 HA HIS A 17 4.107 -13.992 -6.322 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.228 -14.324 -5.386 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.919 -15.307 -6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.050 -14.591 -2.885 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.571 -18.691 -3.792 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.794 -16.912 -1.993 1.00 0.00 H new ATOM 250 N PRO A 18 3.037 -13.383 -8.650 1.00 0.00 N ATOM 251 CA PRO A 18 2.664 -12.769 -9.937 1.00 0.00 C ATOM 252 C PRO A 18 1.291 -13.219 -10.452 1.00 0.00 C ATOM 253 O PRO A 18 0.531 -13.885 -9.739 1.00 0.00 O ATOM 254 CB PRO A 18 3.815 -13.214 -10.859 1.00 0.00 C ATOM 255 CG PRO A 18 4.145 -14.592 -10.382 1.00 0.00 C ATOM 256 CD PRO A 18 3.900 -14.587 -8.878 1.00 0.00 C ATOM 0 HA PRO A 18 2.550 -11.687 -9.871 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.511 -13.216 -11.906 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.673 -12.547 -10.778 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.520 -15.336 -10.876 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.181 -14.845 -10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.403 -15.501 -8.552 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.835 -14.518 -8.322 1.00 0.00 H new ATOM 264 N ILE A 19 0.974 -12.796 -11.679 1.00 0.00 N ATOM 265 CA ILE A 19 -0.257 -13.178 -12.381 1.00 0.00 C ATOM 266 C ILE A 19 -0.104 -14.582 -13.009 1.00 0.00 C ATOM 267 O ILE A 19 0.983 -14.942 -13.486 1.00 0.00 O ATOM 268 CB ILE A 19 -0.608 -12.113 -13.489 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.933 -10.718 -12.835 1.00 0.00 C ATOM 270 CG2 ILE A 19 -1.764 -12.584 -14.402 1.00 0.00 C ATOM 271 CD1 ILE A 19 -1.193 -9.576 -13.815 1.00 0.00 C ATOM 0 H ILE A 19 1.571 -12.171 -12.220 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.074 -13.209 -11.660 1.00 0.00 H new ATOM 0 HB ILE A 19 0.271 -12.000 -14.124 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.809 -10.831 -12.196 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.101 -10.437 -12.189 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.972 -11.819 -15.150 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.480 -13.511 -14.900 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.657 -12.754 -13.800 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.406 -8.662 -13.260 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.312 -9.424 -14.439 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.046 -9.825 -14.446 1.00 0.00 H new ATOM 283 N SER A 20 -1.197 -15.363 -12.975 1.00 0.00 N ATOM 284 CA SER A 20 -1.245 -16.709 -13.567 1.00 0.00 C ATOM 285 C SER A 20 -2.671 -17.071 -14.051 1.00 0.00 C ATOM 286 O SER A 20 -2.868 -18.128 -14.659 1.00 0.00 O ATOM 287 CB SER A 20 -0.740 -17.739 -12.532 1.00 0.00 C ATOM 288 OG SER A 20 -0.601 -19.025 -13.099 1.00 0.00 O ATOM 0 H SER A 20 -2.072 -15.078 -12.536 1.00 0.00 H new ATOM 0 HA SER A 20 -0.597 -16.726 -14.444 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.220 -17.412 -12.132 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.436 -17.784 -11.694 1.00 0.00 H new ATOM 0 HG SER A 20 -1.189 -19.104 -13.879 1.00 0.00 H new ATOM 294 N ALA A 21 -3.662 -16.179 -13.800 1.00 0.00 N ATOM 295 CA ALA A 21 -5.082 -16.444 -14.112 1.00 0.00 C ATOM 296 C ALA A 21 -5.747 -15.197 -14.730 1.00 0.00 C ATOM 297 O ALA A 21 -5.601 -14.080 -14.216 1.00 0.00 O ATOM 298 CB ALA A 21 -5.833 -16.893 -12.837 1.00 0.00 C ATOM 0 H ALA A 21 -3.498 -15.265 -13.379 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.133 -17.249 -14.845 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.878 -17.085 -13.079 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.377 -17.803 -12.448 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.774 -16.107 -12.084 1.00 0.00 H new ATOM 304 N VAL A 22 -6.473 -15.417 -15.843 1.00 0.00 N ATOM 305 CA VAL A 22 -7.291 -14.400 -16.522 1.00 0.00 C ATOM 306 C VAL A 22 -8.789 -14.672 -16.249 1.00 0.00 C ATOM 307 O VAL A 22 -9.215 -15.833 -16.134 1.00 0.00 O ATOM 308 CB VAL A 22 -7.001 -14.388 -18.076 1.00 0.00 C ATOM 309 CG1 VAL A 22 -7.376 -15.731 -18.754 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.698 -13.199 -18.776 1.00 0.00 C ATOM 0 H VAL A 22 -6.506 -16.327 -16.303 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.029 -13.418 -16.128 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.925 -14.259 -18.190 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.159 -15.673 -19.821 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.795 -16.538 -18.308 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.439 -15.927 -18.610 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.476 -13.224 -19.843 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.776 -13.271 -18.628 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.335 -12.263 -18.351 1.00 0.00 H new ATOM 320 N PHE A 23 -9.577 -13.591 -16.145 1.00 0.00 N ATOM 321 CA PHE A 23 -11.006 -13.652 -15.789 1.00 0.00 C ATOM 322 C PHE A 23 -11.851 -13.228 -16.993 1.00 0.00 C ATOM 323 O PHE A 23 -12.161 -12.039 -17.171 1.00 0.00 O ATOM 324 CB PHE A 23 -11.291 -12.760 -14.545 1.00 0.00 C ATOM 325 CG PHE A 23 -10.378 -13.066 -13.355 1.00 0.00 C ATOM 326 CD1 PHE A 23 -10.200 -14.381 -12.919 1.00 0.00 C ATOM 327 CD2 PHE A 23 -9.688 -12.053 -12.695 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.364 -14.667 -11.862 1.00 0.00 C ATOM 329 CE2 PHE A 23 -8.857 -12.342 -11.637 1.00 0.00 C ATOM 330 CZ PHE A 23 -8.692 -13.652 -11.223 1.00 0.00 C ATOM 0 H PHE A 23 -9.239 -12.642 -16.306 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.275 -14.675 -15.526 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.174 -11.713 -14.824 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.329 -12.894 -14.241 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.724 -15.183 -13.417 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.806 -11.029 -13.017 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.237 -15.688 -11.535 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.333 -11.546 -11.129 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.034 -13.877 -10.397 1.00 0.00 H new ATOM 340 N GLN A 24 -12.179 -14.217 -17.835 1.00 0.00 N ATOM 341 CA GLN A 24 -12.922 -14.019 -19.091 1.00 0.00 C ATOM 342 C GLN A 24 -14.423 -13.779 -18.837 1.00 0.00 C ATOM 343 O GLN A 24 -14.958 -14.200 -17.797 1.00 0.00 O ATOM 344 CB GLN A 24 -12.698 -15.237 -20.038 1.00 0.00 C ATOM 345 CG GLN A 24 -11.308 -15.243 -20.690 1.00 0.00 C ATOM 346 CD GLN A 24 -11.109 -16.369 -21.700 1.00 0.00 C ATOM 347 OE1 GLN A 24 -10.680 -17.464 -21.357 1.00 0.00 O ATOM 348 NE2 GLN A 24 -11.426 -16.102 -22.955 1.00 0.00 N ATOM 0 H GLN A 24 -11.933 -15.192 -17.662 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.537 -13.122 -19.575 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.832 -16.159 -19.472 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.459 -15.228 -20.818 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.146 -14.287 -21.188 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.551 -15.328 -19.910 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.781 -15.179 -23.206 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.316 -16.819 -23.672 1.00 0.00 H new ATOM 357 N PRO A 25 -15.148 -13.095 -19.794 1.00 0.00 N ATOM 358 CA PRO A 25 -14.608 -12.490 -21.065 1.00 0.00 C ATOM 359 C PRO A 25 -13.962 -11.092 -20.890 1.00 0.00 C ATOM 360 O PRO A 25 -13.529 -10.491 -21.881 1.00 0.00 O ATOM 361 CB PRO A 25 -15.869 -12.405 -21.986 1.00 0.00 C ATOM 362 CG PRO A 25 -16.958 -13.100 -21.211 1.00 0.00 C ATOM 363 CD PRO A 25 -16.601 -12.937 -19.760 1.00 0.00 C ATOM 0 HA PRO A 25 -13.794 -13.094 -21.465 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.134 -11.369 -22.199 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.692 -12.893 -22.945 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -17.932 -12.659 -21.425 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.018 -14.154 -21.482 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.898 -11.963 -19.372 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.080 -13.689 -19.133 1.00 0.00 H new ATOM 371 N CYS A 26 -13.911 -10.597 -19.638 1.00 0.00 N ATOM 372 CA CYS A 26 -13.383 -9.260 -19.318 1.00 0.00 C ATOM 373 C CYS A 26 -11.886 -9.133 -19.636 1.00 0.00 C ATOM 374 O CYS A 26 -11.454 -8.177 -20.295 1.00 0.00 O ATOM 375 CB CYS A 26 -13.632 -8.936 -17.839 1.00 0.00 C ATOM 376 SG CYS A 26 -12.961 -7.329 -17.329 1.00 0.00 S ATOM 0 H CYS A 26 -14.235 -11.114 -18.821 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.912 -8.544 -19.947 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.705 -8.950 -17.647 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -13.188 -9.718 -17.224 1.00 0.00 H new ATOM 0 HG CYS A 26 -13.571 -6.925 -16.255 1.00 0.00 H new ATOM 381 N GLY A 27 -11.096 -10.102 -19.162 1.00 0.00 N ATOM 382 CA GLY A 27 -9.662 -10.130 -19.420 1.00 0.00 C ATOM 383 C GLY A 27 -8.794 -9.650 -18.256 1.00 0.00 C ATOM 384 O GLY A 27 -7.569 -9.676 -18.387 1.00 0.00 O ATOM 0 H GLY A 27 -11.433 -10.880 -18.595 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.372 -11.149 -19.675 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.451 -9.511 -20.292 1.00 0.00 H new ATOM 388 N HIS A 28 -9.413 -9.186 -17.129 1.00 0.00 N ATOM 389 CA HIS A 28 -8.649 -8.789 -15.910 1.00 0.00 C ATOM 390 C HIS A 28 -7.905 -9.998 -15.342 1.00 0.00 C ATOM 391 O HIS A 28 -8.406 -11.117 -15.390 1.00 0.00 O ATOM 392 CB HIS A 28 -9.554 -8.162 -14.802 1.00 0.00 C ATOM 393 CG HIS A 28 -9.714 -6.668 -14.896 1.00 0.00 C ATOM 394 ND1 HIS A 28 -10.932 -6.076 -14.725 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.771 -5.707 -15.076 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.711 -4.779 -14.812 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.421 -4.506 -15.019 1.00 0.00 N ATOM 0 H HIS A 28 -10.424 -9.080 -17.042 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.940 -8.021 -16.219 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.540 -8.624 -14.852 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.135 -8.409 -13.826 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.714 -5.862 -15.233 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.482 -4.027 -14.726 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.002 -3.581 -15.116 1.00 0.00 H new ATOM 405 N LYS A 29 -6.703 -9.756 -14.787 1.00 0.00 N ATOM 406 CA LYS A 29 -5.772 -10.828 -14.409 1.00 0.00 C ATOM 407 C LYS A 29 -5.205 -10.602 -12.997 1.00 0.00 C ATOM 408 O LYS A 29 -5.010 -9.459 -12.575 1.00 0.00 O ATOM 409 CB LYS A 29 -4.609 -10.895 -15.430 1.00 0.00 C ATOM 410 CG LYS A 29 -5.047 -11.020 -16.894 1.00 0.00 C ATOM 411 CD LYS A 29 -3.869 -11.064 -17.885 1.00 0.00 C ATOM 412 CE LYS A 29 -4.335 -10.894 -19.338 1.00 0.00 C ATOM 413 NZ LYS A 29 -4.954 -9.556 -19.569 1.00 0.00 N ATOM 0 H LYS A 29 -6.354 -8.818 -14.590 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.321 -11.770 -14.411 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.998 -9.999 -15.323 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.974 -11.745 -15.181 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.644 -11.925 -17.011 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.692 -10.178 -17.145 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.157 -10.276 -17.638 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.343 -12.013 -17.781 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.486 -11.022 -20.009 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.055 -11.675 -19.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.977 -9.355 -20.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.924 -9.553 -19.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.393 -8.826 -19.085 1.00 0.00 H new ATOM 427 N SER A 30 -4.930 -11.718 -12.300 1.00 0.00 N ATOM 428 CA SER A 30 -4.267 -11.728 -10.986 1.00 0.00 C ATOM 429 C SER A 30 -3.700 -13.144 -10.719 1.00 0.00 C ATOM 430 O SER A 30 -3.643 -13.982 -11.633 1.00 0.00 O ATOM 431 CB SER A 30 -5.248 -11.281 -9.866 1.00 0.00 C ATOM 432 OG SER A 30 -6.281 -12.221 -9.668 1.00 0.00 O ATOM 0 H SER A 30 -5.166 -12.651 -12.639 1.00 0.00 H new ATOM 0 HA SER A 30 -3.443 -11.014 -10.986 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.698 -11.144 -8.935 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.681 -10.315 -10.126 1.00 0.00 H new ATOM 0 HG SER A 30 -6.778 -12.341 -10.504 1.00 0.00 H new ATOM 438 N CYS A 31 -3.248 -13.394 -9.475 1.00 0.00 N ATOM 439 CA CYS A 31 -2.723 -14.712 -9.071 1.00 0.00 C ATOM 440 C CYS A 31 -3.879 -15.720 -8.895 1.00 0.00 C ATOM 441 O CYS A 31 -5.013 -15.318 -8.601 1.00 0.00 O ATOM 442 CB CYS A 31 -1.887 -14.581 -7.772 1.00 0.00 C ATOM 443 SG CYS A 31 -2.830 -14.255 -6.243 1.00 0.00 S ATOM 0 H CYS A 31 -3.236 -12.697 -8.730 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.068 -15.089 -9.857 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.318 -15.501 -7.635 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.164 -13.776 -7.908 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.818 -13.452 -6.505 1.00 0.00 H new ATOM 448 N LYS A 32 -3.588 -17.023 -9.105 1.00 0.00 N ATOM 449 CA LYS A 32 -4.587 -18.113 -8.955 1.00 0.00 C ATOM 450 C LYS A 32 -5.176 -18.146 -7.529 1.00 0.00 C ATOM 451 O LYS A 32 -6.369 -18.396 -7.350 1.00 0.00 O ATOM 452 CB LYS A 32 -3.953 -19.492 -9.287 1.00 0.00 C ATOM 453 CG LYS A 32 -3.482 -19.647 -10.753 1.00 0.00 C ATOM 454 CD LYS A 32 -2.864 -21.043 -11.050 1.00 0.00 C ATOM 455 CE LYS A 32 -3.856 -22.203 -10.829 1.00 0.00 C ATOM 456 NZ LYS A 32 -5.085 -22.059 -11.656 1.00 0.00 N ATOM 0 H LYS A 32 -2.662 -17.351 -9.381 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.394 -17.910 -9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.101 -19.654 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.680 -20.274 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.328 -19.481 -11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.745 -18.875 -10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.511 -21.066 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.993 -21.191 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.367 -23.147 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.132 -22.246 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.691 -22.894 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.603 -21.206 -11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.821 -21.976 -12.659 1.00 0.00 H new ATOM 470 N ALA A 33 -4.313 -17.876 -6.527 1.00 0.00 N ATOM 471 CA ALA A 33 -4.704 -17.835 -5.102 1.00 0.00 C ATOM 472 C ALA A 33 -5.819 -16.801 -4.819 1.00 0.00 C ATOM 473 O ALA A 33 -6.603 -16.986 -3.882 1.00 0.00 O ATOM 474 CB ALA A 33 -3.476 -17.552 -4.229 1.00 0.00 C ATOM 0 H ALA A 33 -3.324 -17.680 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.113 -18.814 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.774 -17.524 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.736 -18.339 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.044 -16.592 -4.510 1.00 0.00 H new ATOM 480 N CYS A 34 -5.868 -15.720 -5.643 1.00 0.00 N ATOM 481 CA CYS A 34 -6.909 -14.669 -5.544 1.00 0.00 C ATOM 482 C CYS A 34 -8.302 -15.263 -5.735 1.00 0.00 C ATOM 483 O CYS A 34 -9.116 -15.235 -4.813 1.00 0.00 O ATOM 484 CB CYS A 34 -6.674 -13.488 -6.543 1.00 0.00 C ATOM 485 SG CYS A 34 -5.852 -12.045 -5.802 1.00 0.00 S ATOM 0 H CYS A 34 -5.191 -15.556 -6.388 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.836 -14.254 -4.539 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.073 -13.847 -7.378 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.635 -13.176 -6.953 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.829 -11.707 -6.529 1.00 0.00 H new ATOM 490 N ILE A 35 -8.542 -15.834 -6.926 1.00 0.00 N ATOM 491 CA ILE A 35 -9.874 -16.302 -7.324 1.00 0.00 C ATOM 492 C ILE A 35 -10.332 -17.496 -6.464 1.00 0.00 C ATOM 493 O ILE A 35 -11.477 -17.529 -6.039 1.00 0.00 O ATOM 494 CB ILE A 35 -9.948 -16.640 -8.858 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.379 -17.122 -9.261 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.871 -17.670 -9.273 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.492 -16.106 -9.035 1.00 0.00 C ATOM 0 H ILE A 35 -7.822 -15.982 -7.634 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.566 -15.479 -7.145 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.739 -15.719 -9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.369 -17.398 -10.316 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.613 -18.025 -8.698 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.957 -17.876 -10.340 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.881 -17.267 -9.059 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.016 -18.594 -8.712 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.445 -16.535 -9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.538 -15.846 -7.977 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.290 -15.209 -9.620 1.00 0.00 H new ATOM 509 N ASN A 36 -9.416 -18.435 -6.172 1.00 0.00 N ATOM 510 CA ASN A 36 -9.723 -19.627 -5.347 1.00 0.00 C ATOM 511 C ASN A 36 -10.237 -19.209 -3.944 1.00 0.00 C ATOM 512 O ASN A 36 -11.234 -19.751 -3.447 1.00 0.00 O ATOM 513 CB ASN A 36 -8.466 -20.530 -5.233 1.00 0.00 C ATOM 514 CG ASN A 36 -8.033 -21.167 -6.564 1.00 0.00 C ATOM 515 OD1 ASN A 36 -8.280 -20.640 -7.648 1.00 0.00 O ATOM 516 ND2 ASN A 36 -7.357 -22.299 -6.487 1.00 0.00 N ATOM 0 H ASN A 36 -8.449 -18.395 -6.495 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.516 -20.196 -5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.640 -19.938 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.664 -21.321 -4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.028 -22.755 -7.338 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.164 -22.717 -5.577 1.00 0.00 H new ATOM 523 N GLN A 37 -9.562 -18.209 -3.346 1.00 0.00 N ATOM 524 CA GLN A 37 -9.947 -17.635 -2.038 1.00 0.00 C ATOM 525 C GLN A 37 -11.236 -16.795 -2.191 1.00 0.00 C ATOM 526 O GLN A 37 -12.099 -16.794 -1.308 1.00 0.00 O ATOM 527 CB GLN A 37 -8.754 -16.793 -1.483 1.00 0.00 C ATOM 528 CG GLN A 37 -8.902 -16.203 -0.045 1.00 0.00 C ATOM 529 CD GLN A 37 -9.534 -14.800 0.007 1.00 0.00 C ATOM 530 OE1 GLN A 37 -8.837 -13.788 -0.092 1.00 0.00 O ATOM 531 NE2 GLN A 37 -10.837 -14.726 0.212 1.00 0.00 N ATOM 0 H GLN A 37 -8.734 -17.775 -3.754 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.164 -18.427 -1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.862 -17.419 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.576 -15.966 -2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.509 -16.883 0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.917 -16.162 0.420 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.390 -15.579 0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.290 -13.816 0.292 1.00 0.00 H new ATOM 540 N HIS A 38 -11.366 -16.131 -3.353 1.00 0.00 N ATOM 541 CA HIS A 38 -12.481 -15.217 -3.668 1.00 0.00 C ATOM 542 C HIS A 38 -13.789 -15.993 -3.879 1.00 0.00 C ATOM 543 O HIS A 38 -14.855 -15.462 -3.607 1.00 0.00 O ATOM 544 CB HIS A 38 -12.149 -14.389 -4.927 1.00 0.00 C ATOM 545 CG HIS A 38 -13.129 -13.300 -5.269 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.143 -12.115 -4.576 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.061 -13.239 -6.256 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.060 -11.370 -5.149 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.643 -12.005 -6.170 1.00 0.00 N ATOM 0 H HIS A 38 -10.690 -16.215 -4.112 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.617 -14.544 -2.821 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.165 -13.939 -4.794 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.077 -15.068 -5.777 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -12.559 -11.864 -3.778 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.296 -14.015 -6.970 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.312 -10.368 -4.834 1.00 0.00 H new ATOM 557 N LEU A 39 -13.694 -17.259 -4.338 1.00 0.00 N ATOM 558 CA LEU A 39 -14.870 -18.130 -4.583 1.00 0.00 C ATOM 559 C LEU A 39 -15.536 -18.568 -3.266 1.00 0.00 C ATOM 560 O LEU A 39 -16.633 -19.132 -3.271 1.00 0.00 O ATOM 561 CB LEU A 39 -14.456 -19.358 -5.444 1.00 0.00 C ATOM 562 CG LEU A 39 -14.064 -19.026 -6.923 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.480 -20.252 -7.657 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.260 -18.425 -7.701 1.00 0.00 C ATOM 0 H LEU A 39 -12.803 -17.708 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.611 -17.554 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.612 -19.853 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.281 -20.071 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.278 -18.272 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.222 -19.975 -8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.585 -20.595 -7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.219 -21.053 -7.673 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.955 -18.206 -8.724 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.083 -19.140 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.586 -17.506 -7.214 1.00 0.00 H new ATOM 576 N MET A 40 -14.843 -18.310 -2.145 1.00 0.00 N ATOM 577 CA MET A 40 -15.375 -18.511 -0.782 1.00 0.00 C ATOM 578 C MET A 40 -16.247 -17.309 -0.346 1.00 0.00 C ATOM 579 O MET A 40 -16.978 -17.390 0.647 1.00 0.00 O ATOM 580 CB MET A 40 -14.205 -18.725 0.212 1.00 0.00 C ATOM 581 CG MET A 40 -13.241 -19.879 -0.129 1.00 0.00 C ATOM 582 SD MET A 40 -14.016 -21.519 -0.036 1.00 0.00 S ATOM 583 CE MET A 40 -14.624 -21.794 -1.706 1.00 0.00 C ATOM 0 H MET A 40 -13.888 -17.952 -2.157 1.00 0.00 H new ATOM 0 HA MET A 40 -16.007 -19.399 -0.782 1.00 0.00 H new ATOM 0 HB2 MET A 40 -13.630 -17.801 0.272 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.622 -18.905 1.203 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.847 -19.728 -1.134 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.392 -19.847 0.554 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.551 -22.854 -1.950 1.00 0.00 H new ATOM 0 HE2 MET A 40 -15.665 -21.477 -1.771 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.025 -21.218 -2.411 1.00 0.00 H new ATOM 593 N ASN A 41 -16.139 -16.198 -1.098 1.00 0.00 N ATOM 594 CA ASN A 41 -16.879 -14.941 -0.854 1.00 0.00 C ATOM 595 C ASN A 41 -17.830 -14.653 -2.043 1.00 0.00 C ATOM 596 O ASN A 41 -19.045 -14.850 -1.931 1.00 0.00 O ATOM 597 CB ASN A 41 -15.876 -13.764 -0.648 1.00 0.00 C ATOM 598 CG ASN A 41 -14.947 -13.957 0.555 1.00 0.00 C ATOM 599 OD1 ASN A 41 -15.336 -14.503 1.589 1.00 0.00 O ATOM 600 ND2 ASN A 41 -13.702 -13.535 0.424 1.00 0.00 N ATOM 0 H ASN A 41 -15.523 -16.146 -1.909 1.00 0.00 H new ATOM 0 HA ASN A 41 -17.478 -15.043 0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.273 -13.649 -1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -16.436 -12.838 -0.520 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.039 -13.658 1.189 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.404 -13.086 -0.442 1.00 0.00 H new ATOM 607 N ASN A 42 -17.263 -14.214 -3.195 1.00 0.00 N ATOM 608 CA ASN A 42 -18.024 -13.821 -4.415 1.00 0.00 C ATOM 609 C ASN A 42 -17.529 -14.612 -5.655 1.00 0.00 C ATOM 610 O ASN A 42 -16.802 -15.597 -5.527 1.00 0.00 O ATOM 611 CB ASN A 42 -17.834 -12.303 -4.678 1.00 0.00 C ATOM 612 CG ASN A 42 -18.310 -11.391 -3.553 1.00 0.00 C ATOM 613 OD1 ASN A 42 -19.258 -11.703 -2.834 1.00 0.00 O ATOM 614 ND2 ASN A 42 -17.661 -10.252 -3.406 1.00 0.00 N ATOM 0 H ASN A 42 -16.253 -14.121 -3.307 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.077 -14.047 -4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -16.777 -12.110 -4.859 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -18.367 -12.038 -5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -17.941 -9.596 -2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -16.879 -10.027 -4.021 1.00 0.00 H new ATOM 621 N LYS A 43 -17.961 -14.175 -6.864 1.00 0.00 N ATOM 622 CA LYS A 43 -17.455 -14.679 -8.166 1.00 0.00 C ATOM 623 C LYS A 43 -17.178 -13.486 -9.109 1.00 0.00 C ATOM 624 O LYS A 43 -17.173 -13.640 -10.339 1.00 0.00 O ATOM 625 CB LYS A 43 -18.484 -15.669 -8.810 1.00 0.00 C ATOM 626 CG LYS A 43 -18.726 -16.961 -7.994 1.00 0.00 C ATOM 627 CD LYS A 43 -19.661 -17.972 -8.701 1.00 0.00 C ATOM 628 CE LYS A 43 -19.863 -19.266 -7.878 1.00 0.00 C ATOM 629 NZ LYS A 43 -20.716 -20.271 -8.574 1.00 0.00 N ATOM 0 H LYS A 43 -18.677 -13.456 -6.964 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.525 -15.223 -8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.435 -15.152 -8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.132 -15.943 -9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.768 -17.441 -7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.155 -16.696 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.629 -17.504 -8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.245 -18.226 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.891 -19.709 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.317 -19.014 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.816 -21.116 -7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.655 -19.863 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.273 -20.537 -9.477 1.00 0.00 H new ATOM 643 N ASP A 44 -16.925 -12.293 -8.524 1.00 0.00 N ATOM 644 CA ASP A 44 -16.739 -11.052 -9.311 1.00 0.00 C ATOM 645 C ASP A 44 -15.271 -10.862 -9.745 1.00 0.00 C ATOM 646 O ASP A 44 -14.353 -11.474 -9.190 1.00 0.00 O ATOM 647 CB ASP A 44 -17.249 -9.803 -8.543 1.00 0.00 C ATOM 648 CG ASP A 44 -16.338 -9.333 -7.396 1.00 0.00 C ATOM 649 OD1 ASP A 44 -15.408 -8.522 -7.636 1.00 0.00 O ATOM 650 OD2 ASP A 44 -16.552 -9.758 -6.248 1.00 0.00 O ATOM 0 H ASP A 44 -16.845 -12.163 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.342 -11.161 -10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.370 -8.983 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -18.237 -10.022 -8.137 1.00 0.00 H new ATOM 655 N CYS A 45 -15.065 -9.949 -10.709 1.00 0.00 N ATOM 656 CA CYS A 45 -13.786 -9.756 -11.432 1.00 0.00 C ATOM 657 C CYS A 45 -12.915 -8.658 -10.787 1.00 0.00 C ATOM 658 O CYS A 45 -12.223 -7.912 -11.495 1.00 0.00 O ATOM 659 CB CYS A 45 -14.111 -9.437 -12.909 1.00 0.00 C ATOM 660 SG CYS A 45 -12.677 -9.119 -13.978 1.00 0.00 S ATOM 0 H CYS A 45 -15.796 -9.308 -11.018 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.195 -10.670 -11.374 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.675 -10.271 -13.327 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.764 -8.565 -12.938 1.00 0.00 H new ATOM 0 HG CYS A 45 -11.828 -8.360 -13.351 1.00 0.00 H new ATOM 665 N PHE A 46 -12.965 -8.590 -9.435 1.00 0.00 N ATOM 666 CA PHE A 46 -12.056 -7.785 -8.579 1.00 0.00 C ATOM 667 C PHE A 46 -12.007 -6.284 -8.980 1.00 0.00 C ATOM 668 O PHE A 46 -12.731 -5.453 -8.424 1.00 0.00 O ATOM 669 CB PHE A 46 -10.618 -8.398 -8.572 1.00 0.00 C ATOM 670 CG PHE A 46 -10.537 -9.858 -8.118 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.795 -10.900 -9.011 1.00 0.00 C ATOM 672 CD2 PHE A 46 -10.182 -10.188 -6.811 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.710 -12.219 -8.610 1.00 0.00 C ATOM 674 CE2 PHE A 46 -10.090 -11.508 -6.416 1.00 0.00 C ATOM 675 CZ PHE A 46 -10.348 -12.520 -7.320 1.00 0.00 C ATOM 0 H PHE A 46 -13.657 -9.107 -8.893 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.469 -7.823 -7.571 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.203 -8.323 -9.577 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.986 -7.795 -7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.065 -10.671 -10.031 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.977 -9.402 -6.099 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.928 -13.012 -9.310 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.816 -11.749 -5.400 1.00 0.00 H new ATOM 0 HZ PHE A 46 -10.265 -13.552 -7.011 1.00 0.00 H new ATOM 685 N PHE A 47 -11.177 -5.988 -10.004 1.00 0.00 N ATOM 686 CA PHE A 47 -10.798 -4.626 -10.422 1.00 0.00 C ATOM 687 C PHE A 47 -11.959 -3.852 -11.092 1.00 0.00 C ATOM 688 O PHE A 47 -11.844 -2.645 -11.323 1.00 0.00 O ATOM 689 CB PHE A 47 -9.585 -4.712 -11.392 1.00 0.00 C ATOM 690 CG PHE A 47 -8.426 -5.577 -10.894 1.00 0.00 C ATOM 691 CD1 PHE A 47 -7.573 -5.118 -9.899 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.192 -6.846 -11.435 1.00 0.00 C ATOM 693 CE1 PHE A 47 -6.523 -5.895 -9.453 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.141 -7.622 -10.990 1.00 0.00 C ATOM 695 CZ PHE A 47 -6.306 -7.145 -10.002 1.00 0.00 C ATOM 0 H PHE A 47 -10.742 -6.712 -10.576 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.534 -4.069 -9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.929 -5.106 -12.348 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.214 -3.704 -11.578 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.733 -4.141 -9.469 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.842 -7.223 -12.211 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.871 -5.526 -8.675 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.973 -8.601 -11.415 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.480 -7.749 -9.656 1.00 0.00 H new ATOM 705 N CYS A 48 -13.053 -4.558 -11.436 1.00 0.00 N ATOM 706 CA CYS A 48 -14.253 -3.936 -12.054 1.00 0.00 C ATOM 707 C CYS A 48 -15.565 -4.594 -11.546 1.00 0.00 C ATOM 708 O CYS A 48 -16.655 -4.124 -11.883 1.00 0.00 O ATOM 709 CB CYS A 48 -14.169 -4.068 -13.582 1.00 0.00 C ATOM 710 SG CYS A 48 -14.497 -5.759 -14.160 1.00 0.00 S ATOM 0 H CYS A 48 -13.136 -5.565 -11.298 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.273 -2.884 -11.769 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.885 -3.386 -14.041 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.178 -3.761 -13.915 1.00 0.00 H new ATOM 0 HG CYS A 48 -13.522 -6.538 -13.797 1.00 0.00 H new ATOM 715 N LYS A 49 -15.433 -5.700 -10.762 1.00 0.00 N ATOM 716 CA LYS A 49 -16.566 -6.417 -10.120 1.00 0.00 C ATOM 717 C LYS A 49 -17.569 -7.036 -11.155 1.00 0.00 C ATOM 718 O LYS A 49 -18.726 -7.315 -10.834 1.00 0.00 O ATOM 719 CB LYS A 49 -17.270 -5.469 -9.091 1.00 0.00 C ATOM 720 CG LYS A 49 -18.175 -6.166 -8.051 1.00 0.00 C ATOM 721 CD LYS A 49 -18.899 -5.173 -7.115 1.00 0.00 C ATOM 722 CE LYS A 49 -19.765 -5.879 -6.057 1.00 0.00 C ATOM 723 NZ LYS A 49 -20.791 -6.755 -6.675 1.00 0.00 N ATOM 0 H LYS A 49 -14.527 -6.121 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.162 -7.274 -9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.503 -4.906 -8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -17.871 -4.746 -9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.917 -6.772 -8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.571 -6.847 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.160 -4.547 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.528 -4.511 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.127 -6.473 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.254 -5.132 -5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.448 -7.091 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.319 -6.219 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.327 -7.570 -7.124 1.00 0.00 H new ATOM 737 N THR A 50 -17.097 -7.277 -12.394 1.00 0.00 N ATOM 738 CA THR A 50 -17.884 -7.973 -13.443 1.00 0.00 C ATOM 739 C THR A 50 -17.990 -9.483 -13.132 1.00 0.00 C ATOM 740 O THR A 50 -17.113 -10.036 -12.479 1.00 0.00 O ATOM 741 CB THR A 50 -17.212 -7.758 -14.844 1.00 0.00 C ATOM 742 OG1 THR A 50 -17.074 -6.356 -15.084 1.00 0.00 O ATOM 743 CG2 THR A 50 -18.006 -8.387 -16.005 1.00 0.00 C ATOM 0 H THR A 50 -16.165 -6.998 -12.699 1.00 0.00 H new ATOM 0 HA THR A 50 -18.890 -7.553 -13.460 1.00 0.00 H new ATOM 0 HB THR A 50 -16.243 -8.256 -14.812 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.317 -6.009 -14.567 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.486 -8.201 -16.945 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.094 -9.462 -15.845 1.00 0.00 H new ATOM 0 HG23 THR A 50 -19.001 -7.944 -16.048 1.00 0.00 H new ATOM 751 N THR A 51 -19.071 -10.137 -13.587 1.00 0.00 N ATOM 752 CA THR A 51 -19.232 -11.599 -13.452 1.00 0.00 C ATOM 753 C THR A 51 -18.134 -12.336 -14.247 1.00 0.00 C ATOM 754 O THR A 51 -17.999 -12.133 -15.464 1.00 0.00 O ATOM 755 CB THR A 51 -20.640 -12.058 -13.957 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.656 -11.329 -13.249 1.00 0.00 O ATOM 757 CG2 THR A 51 -20.863 -13.583 -13.786 1.00 0.00 C ATOM 0 H THR A 51 -19.852 -9.676 -14.054 1.00 0.00 H new ATOM 0 HA THR A 51 -19.142 -11.848 -12.395 1.00 0.00 H new ATOM 0 HB THR A 51 -20.697 -11.847 -15.025 1.00 0.00 H new ATOM 0 HG1 THR A 51 -22.540 -11.612 -13.563 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.855 -13.849 -14.152 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.109 -14.127 -14.355 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.782 -13.847 -12.731 1.00 0.00 H new ATOM 765 N ILE A 52 -17.328 -13.149 -13.541 1.00 0.00 N ATOM 766 CA ILE A 52 -16.344 -14.032 -14.183 1.00 0.00 C ATOM 767 C ILE A 52 -17.075 -15.280 -14.701 1.00 0.00 C ATOM 768 O ILE A 52 -17.573 -16.083 -13.900 1.00 0.00 O ATOM 769 CB ILE A 52 -15.198 -14.483 -13.206 1.00 0.00 C ATOM 770 CG1 ILE A 52 -14.540 -13.259 -12.499 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.131 -15.318 -13.968 1.00 0.00 C ATOM 772 CD1 ILE A 52 -13.501 -13.619 -11.454 1.00 0.00 C ATOM 0 H ILE A 52 -17.341 -13.211 -12.523 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.876 -13.472 -14.993 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.643 -15.110 -12.434 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.073 -12.627 -13.254 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.322 -12.665 -12.026 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.345 -15.622 -13.277 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.600 -16.204 -14.396 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.699 -14.715 -14.766 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.096 -12.707 -11.014 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -13.964 -14.224 -10.674 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.695 -14.185 -11.922 1.00 0.00 H new ATOM 784 N VAL A 53 -17.161 -15.414 -16.029 1.00 0.00 N ATOM 785 CA VAL A 53 -17.765 -16.589 -16.672 1.00 0.00 C ATOM 786 C VAL A 53 -16.795 -17.782 -16.592 1.00 0.00 C ATOM 787 O VAL A 53 -17.201 -18.892 -16.229 1.00 0.00 O ATOM 788 CB VAL A 53 -18.164 -16.285 -18.167 1.00 0.00 C ATOM 789 CG1 VAL A 53 -18.741 -17.536 -18.879 1.00 0.00 C ATOM 790 CG2 VAL A 53 -19.173 -15.104 -18.225 1.00 0.00 C ATOM 0 H VAL A 53 -16.816 -14.715 -16.687 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.681 -16.842 -16.139 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.257 -16.002 -18.700 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.003 -17.282 -19.906 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.995 -18.330 -18.881 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.632 -17.876 -18.351 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -19.440 -14.904 -19.263 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.070 -15.364 -17.663 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.717 -14.214 -17.790 1.00 0.00 H new ATOM 800 N SER A 54 -15.505 -17.545 -16.913 1.00 0.00 N ATOM 801 CA SER A 54 -14.469 -18.598 -16.896 1.00 0.00 C ATOM 802 C SER A 54 -13.136 -18.040 -16.369 1.00 0.00 C ATOM 803 O SER A 54 -12.704 -16.951 -16.773 1.00 0.00 O ATOM 804 CB SER A 54 -14.270 -19.170 -18.321 1.00 0.00 C ATOM 805 OG SER A 54 -15.487 -19.647 -18.868 1.00 0.00 O ATOM 0 H SER A 54 -15.156 -16.627 -17.189 1.00 0.00 H new ATOM 0 HA SER A 54 -14.801 -19.395 -16.231 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.858 -18.397 -18.969 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.542 -19.981 -18.289 1.00 0.00 H new ATOM 0 HG SER A 54 -15.325 -19.999 -19.768 1.00 0.00 H new ATOM 811 N VAL A 55 -12.496 -18.799 -15.460 1.00 0.00 N ATOM 812 CA VAL A 55 -11.142 -18.507 -14.956 1.00 0.00 C ATOM 813 C VAL A 55 -10.142 -19.440 -15.650 1.00 0.00 C ATOM 814 O VAL A 55 -10.060 -20.637 -15.322 1.00 0.00 O ATOM 815 CB VAL A 55 -11.038 -18.723 -13.401 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.646 -18.308 -12.864 1.00 0.00 C ATOM 817 CG2 VAL A 55 -12.162 -17.975 -12.662 1.00 0.00 C ATOM 0 H VAL A 55 -12.908 -19.638 -15.052 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.920 -17.462 -15.171 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.161 -19.789 -13.208 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.608 -18.470 -11.787 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.876 -18.908 -13.348 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.473 -17.253 -13.078 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.066 -18.142 -11.589 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.088 -16.908 -12.871 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.130 -18.345 -13.001 1.00 0.00 H new ATOM 827 N GLU A 56 -9.396 -18.896 -16.607 1.00 0.00 N ATOM 828 CA GLU A 56 -8.395 -19.659 -17.358 1.00 0.00 C ATOM 829 C GLU A 56 -6.996 -19.289 -16.879 1.00 0.00 C ATOM 830 O GLU A 56 -6.789 -18.222 -16.301 1.00 0.00 O ATOM 831 CB GLU A 56 -8.551 -19.397 -18.875 1.00 0.00 C ATOM 832 CG GLU A 56 -9.920 -19.811 -19.452 1.00 0.00 C ATOM 833 CD GLU A 56 -10.264 -21.290 -19.217 1.00 0.00 C ATOM 834 OE1 GLU A 56 -9.588 -22.166 -19.801 1.00 0.00 O ATOM 835 OE2 GLU A 56 -11.211 -21.588 -18.455 1.00 0.00 O ATOM 0 H GLU A 56 -9.465 -17.917 -16.886 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.548 -20.724 -17.182 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.395 -18.335 -19.067 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.767 -19.936 -19.408 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.696 -19.190 -19.005 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.929 -19.610 -20.523 1.00 0.00 H new ATOM 842 N ASP A 57 -6.052 -20.198 -17.099 1.00 0.00 N ATOM 843 CA ASP A 57 -4.643 -19.968 -16.783 1.00 0.00 C ATOM 844 C ASP A 57 -4.013 -19.104 -17.878 1.00 0.00 C ATOM 845 O ASP A 57 -3.842 -19.563 -19.013 1.00 0.00 O ATOM 846 CB ASP A 57 -3.896 -21.317 -16.649 1.00 0.00 C ATOM 847 CG ASP A 57 -4.429 -22.159 -15.483 1.00 0.00 C ATOM 848 OD1 ASP A 57 -3.955 -21.972 -14.344 1.00 0.00 O ATOM 849 OD2 ASP A 57 -5.336 -22.996 -15.697 1.00 0.00 O ATOM 0 H ASP A 57 -6.240 -21.116 -17.502 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.565 -19.444 -15.830 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.996 -21.880 -17.577 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.832 -21.129 -16.503 1.00 0.00 H new ATOM 854 N TRP A 58 -3.723 -17.835 -17.546 1.00 0.00 N ATOM 855 CA TRP A 58 -3.027 -16.926 -18.462 1.00 0.00 C ATOM 856 C TRP A 58 -1.533 -17.303 -18.518 1.00 0.00 C ATOM 857 O TRP A 58 -0.823 -17.163 -17.517 1.00 0.00 O ATOM 858 CB TRP A 58 -3.201 -15.445 -18.029 1.00 0.00 C ATOM 859 CG TRP A 58 -2.509 -14.476 -18.967 1.00 0.00 C ATOM 860 CD1 TRP A 58 -2.884 -14.165 -20.249 1.00 0.00 C ATOM 861 CD2 TRP A 58 -1.305 -13.728 -18.713 1.00 0.00 C ATOM 862 NE1 TRP A 58 -2.006 -13.259 -20.790 1.00 0.00 N ATOM 863 CE2 TRP A 58 -1.033 -12.974 -19.869 1.00 0.00 C ATOM 864 CE3 TRP A 58 -0.447 -13.610 -17.614 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.068 -12.127 -19.963 1.00 0.00 C ATOM 866 CZ3 TRP A 58 0.649 -12.772 -17.708 1.00 0.00 C ATOM 867 CH2 TRP A 58 0.893 -12.032 -18.874 1.00 0.00 C ATOM 0 H TRP A 58 -3.962 -17.418 -16.646 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.465 -17.028 -19.455 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.264 -15.206 -17.985 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.804 -15.316 -17.022 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.744 -14.573 -20.758 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.068 -12.862 -21.727 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.638 -14.164 -16.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.265 -11.564 -20.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.327 -12.686 -16.872 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.749 -11.374 -18.914 1.00 0.00 H new