USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 579 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: B 23 THR OG1 : rot 111:sc= -0.978 USER MOD Set 1.2: B 25 SER OG : rot 180:sc= -0.053 USER MOD Set 1.3: B 26 GLN : amide:sc= -3.01! C(o=-4!,f=-5.6!) USER MOD Set 2.1: A 23 THR OG1 : rot 130:sc= -5.07! USER MOD Set 2.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 26 GLN : amide:sc= -1.33 K(o=-6.4,f=-5.2) USER MOD Single : A 6 THR OG1 : rot 24:sc= 0.0473 USER MOD Single : A 8 THR OG1 : rot -59:sc= 0.401 USER MOD Single : A 15 GLN : amide:sc= -9.85! C(o=-9.8!,f=-6.5!) USER MOD Single : A 16 ASN : amide:sc= -5.6! C(o=-5.6!,f=-23!) USER MOD Single : A 29 ASN : amide:sc= -0.729 X(o=-0.73,f=-0.25) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -75:sc= 0.876 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -9.5! C(o=-9.5!,f=-4.2!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.026) USER MOD Single : B 16 ASN : amide:sc= -8.51! K(o=-8.5!,f=1.3) USER MOD Single : B 29 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 30 LYS NZ :NH3+ 169:sc= -0.0343 (180deg=-0.196) USER MOD Single : B 37 THR OG1 : rot -0:sc= -1.02 USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N THR A 6 10.726 -7.226 1.430 1.00 0.00 N ATOM 75 CA THR A 6 10.808 -5.913 2.059 1.00 0.00 C ATOM 76 C THR A 6 9.574 -5.070 1.750 1.00 0.00 C ATOM 77 O THR A 6 8.831 -5.359 0.813 1.00 0.00 O ATOM 78 CB THR A 6 12.064 -5.150 1.599 1.00 0.00 C ATOM 79 OG1 THR A 6 13.241 -5.888 1.950 1.00 0.00 O ATOM 80 CG2 THR A 6 12.118 -3.768 2.232 1.00 0.00 C ATOM 0 HA THR A 6 10.865 -6.083 3.134 1.00 0.00 H new ATOM 0 HB THR A 6 12.017 -5.035 0.516 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.017 -6.838 2.038 1.00 0.00 H new ATOM 0 HG21 THR A 6 13.013 -3.247 1.893 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.235 -3.199 1.940 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.144 -3.866 3.317 1.00 0.00 H new ATOM 88 N CYS A 7 9.367 -4.024 2.544 1.00 0.00 N ATOM 89 CA CYS A 7 8.232 -3.128 2.350 1.00 0.00 C ATOM 90 C CYS A 7 8.617 -1.683 2.653 1.00 0.00 C ATOM 91 O CYS A 7 7.803 -0.772 2.508 1.00 0.00 O ATOM 92 CB CYS A 7 7.061 -3.549 3.242 1.00 0.00 C ATOM 93 SG CYS A 7 6.397 -5.204 2.868 1.00 0.00 S ATOM 0 H CYS A 7 9.971 -3.776 3.328 1.00 0.00 H new ATOM 0 HA CYS A 7 7.929 -3.194 1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.385 -3.526 4.283 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.260 -2.817 3.141 1.00 0.00 H new ATOM 98 N THR A 8 9.860 -1.481 3.076 1.00 0.00 N ATOM 99 CA THR A 8 10.346 -0.146 3.404 1.00 0.00 C ATOM 100 C THR A 8 10.543 0.692 2.146 1.00 0.00 C ATOM 101 O THR A 8 11.658 1.112 1.836 1.00 0.00 O ATOM 102 CB THR A 8 11.676 -0.207 4.180 1.00 0.00 C ATOM 103 OG1 THR A 8 12.116 1.118 4.501 1.00 0.00 O ATOM 104 CG2 THR A 8 12.746 -0.918 3.367 1.00 0.00 C ATOM 0 H THR A 8 10.548 -2.223 3.200 1.00 0.00 H new ATOM 0 HA THR A 8 9.588 0.320 4.033 1.00 0.00 H new ATOM 0 HB THR A 8 11.509 -0.768 5.099 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.228 1.634 3.676 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.675 -0.948 3.936 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.421 -1.935 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.910 -0.381 2.433 1.00 0.00 H new ATOM 112 N VAL A 9 9.453 0.932 1.424 1.00 0.00 N ATOM 113 CA VAL A 9 9.506 1.718 0.199 1.00 0.00 C ATOM 114 C VAL A 9 8.901 3.102 0.405 1.00 0.00 C ATOM 115 O VAL A 9 8.212 3.347 1.395 1.00 0.00 O ATOM 116 CB VAL A 9 8.763 1.016 -0.953 1.00 0.00 C ATOM 117 CG1 VAL A 9 8.845 1.843 -2.227 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.325 -0.380 -1.179 1.00 0.00 C ATOM 0 H VAL A 9 8.522 0.593 1.667 1.00 0.00 H new ATOM 0 HA VAL A 9 10.559 1.819 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 9 7.713 0.921 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.314 1.330 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.390 2.819 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.890 1.974 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.788 -0.861 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.383 -0.310 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.207 -0.971 -0.271 1.00 0.00 H new ATOM 128 N ALA A 10 9.157 4.001 -0.540 1.00 0.00 N ATOM 129 CA ALA A 10 8.621 5.355 -0.471 1.00 0.00 C ATOM 130 C ALA A 10 7.282 5.451 -1.193 1.00 0.00 C ATOM 131 O ALA A 10 7.178 5.122 -2.374 1.00 0.00 O ATOM 132 CB ALA A 10 9.615 6.345 -1.061 1.00 0.00 C ATOM 0 H ALA A 10 9.732 3.816 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 10 8.457 5.603 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.203 7.352 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.548 6.302 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.807 6.090 -2.103 1.00 0.00 H new ATOM 138 N PRO A 11 6.237 5.902 -0.482 1.00 0.00 N ATOM 139 CA PRO A 11 4.892 6.030 -1.046 1.00 0.00 C ATOM 140 C PRO A 11 4.901 6.669 -2.431 1.00 0.00 C ATOM 141 O PRO A 11 4.153 6.259 -3.318 1.00 0.00 O ATOM 142 CB PRO A 11 4.184 6.936 -0.040 1.00 0.00 C ATOM 143 CG PRO A 11 4.854 6.647 1.259 1.00 0.00 C ATOM 144 CD PRO A 11 6.288 6.318 0.932 1.00 0.00 C ATOM 0 HA PRO A 11 4.410 5.063 -1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.284 7.986 -0.313 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.117 6.719 0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.795 7.507 1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.371 5.814 1.769 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.939 7.181 1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.672 5.522 1.570 1.00 0.00 H new ATOM 152 N ARG A 12 5.754 7.671 -2.611 1.00 0.00 N ATOM 153 CA ARG A 12 5.867 8.358 -3.892 1.00 0.00 C ATOM 154 C ARG A 12 6.430 7.425 -4.959 1.00 0.00 C ATOM 155 O ARG A 12 6.127 7.566 -6.144 1.00 0.00 O ATOM 156 CB ARG A 12 6.757 9.594 -3.755 1.00 0.00 C ATOM 157 CG ARG A 12 6.235 10.613 -2.755 1.00 0.00 C ATOM 158 CD ARG A 12 7.158 11.817 -2.654 1.00 0.00 C ATOM 159 NE ARG A 12 8.501 11.443 -2.219 1.00 0.00 N ATOM 160 CZ ARG A 12 9.512 12.300 -2.138 1.00 0.00 C ATOM 161 NH1 ARG A 12 9.333 13.573 -2.463 1.00 0.00 N ATOM 162 NH2 ARG A 12 10.705 11.886 -1.732 1.00 0.00 N ATOM 0 H ARG A 12 6.377 8.026 -1.886 1.00 0.00 H new ATOM 0 HA ARG A 12 4.869 8.672 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.756 9.280 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.854 10.071 -4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.239 10.941 -3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.136 10.146 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.216 12.312 -3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.738 12.538 -1.953 1.00 0.00 H new ATOM 0 HE ARG A 12 8.672 10.470 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.417 13.896 -2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.111 14.230 -2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.847 10.908 -1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.480 12.546 -1.671 1.00 0.00 H new ATOM 176 N GLU A 13 7.259 6.477 -4.532 1.00 0.00 N ATOM 177 CA GLU A 13 7.880 5.533 -5.453 1.00 0.00 C ATOM 178 C GLU A 13 7.351 4.120 -5.229 1.00 0.00 C ATOM 179 O GLU A 13 8.101 3.147 -5.300 1.00 0.00 O ATOM 180 CB GLU A 13 9.401 5.552 -5.285 1.00 0.00 C ATOM 181 CG GLU A 13 10.025 6.912 -5.552 1.00 0.00 C ATOM 182 CD GLU A 13 9.761 7.407 -6.961 1.00 0.00 C ATOM 183 OE1 GLU A 13 8.736 8.090 -7.168 1.00 0.00 O ATOM 184 OE2 GLU A 13 10.579 7.111 -7.857 1.00 0.00 O ATOM 0 H GLU A 13 7.516 6.343 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 13 7.627 5.838 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.650 5.240 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.842 4.820 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.632 7.635 -4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.101 6.853 -5.387 1.00 0.00 H new ATOM 191 N ARG A 14 6.052 4.013 -4.966 1.00 0.00 N ATOM 192 CA ARG A 14 5.420 2.715 -4.756 1.00 0.00 C ATOM 193 C ARG A 14 4.530 2.346 -5.939 1.00 0.00 C ATOM 194 O ARG A 14 4.021 3.219 -6.642 1.00 0.00 O ATOM 195 CB ARG A 14 4.598 2.724 -3.466 1.00 0.00 C ATOM 196 CG ARG A 14 5.423 3.003 -2.222 1.00 0.00 C ATOM 197 CD ARG A 14 4.572 2.951 -0.963 1.00 0.00 C ATOM 198 NE ARG A 14 5.356 3.217 0.239 1.00 0.00 N ATOM 199 CZ ARG A 14 4.900 3.023 1.473 1.00 0.00 C ATOM 200 NH1 ARG A 14 3.672 2.562 1.662 1.00 0.00 N ATOM 201 NH2 ARG A 14 5.674 3.288 2.517 1.00 0.00 N ATOM 0 H ARG A 14 5.417 4.808 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 14 6.207 1.966 -4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.815 3.478 -3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.102 1.760 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.229 2.273 -2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.889 3.985 -2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.767 3.682 -1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.105 1.969 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 14 6.306 3.571 0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.076 2.356 0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.323 2.413 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.620 3.641 2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.323 3.139 3.463 1.00 0.00 H new ATOM 215 N GLN A 15 4.353 1.047 -6.157 1.00 0.00 N ATOM 216 CA GLN A 15 3.542 0.563 -7.267 1.00 0.00 C ATOM 217 C GLN A 15 2.225 -0.023 -6.769 1.00 0.00 C ATOM 218 O GLN A 15 2.149 -1.201 -6.423 1.00 0.00 O ATOM 219 CB GLN A 15 4.311 -0.491 -8.066 1.00 0.00 C ATOM 220 CG GLN A 15 5.606 0.026 -8.669 1.00 0.00 C ATOM 221 CD GLN A 15 6.579 0.527 -7.619 1.00 0.00 C ATOM 222 OE1 GLN A 15 7.405 -0.231 -7.109 1.00 0.00 O ATOM 223 NE2 GLN A 15 6.487 1.811 -7.291 1.00 0.00 N ATOM 0 H GLN A 15 4.760 0.311 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 15 3.318 1.411 -7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.535 -1.336 -7.415 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.672 -0.866 -8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.077 -0.770 -9.245 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.381 0.834 -9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.787 2.403 -7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.116 2.205 -6.591 1.00 0.00 H new ATOM 232 N ASN A 16 1.186 0.807 -6.745 1.00 0.00 N ATOM 233 CA ASN A 16 -0.138 0.363 -6.322 1.00 0.00 C ATOM 234 C ASN A 16 -0.323 -1.128 -6.592 1.00 0.00 C ATOM 235 O ASN A 16 0.268 -1.677 -7.521 1.00 0.00 O ATOM 236 CB ASN A 16 -1.220 1.166 -7.046 1.00 0.00 C ATOM 237 CG ASN A 16 -2.620 0.749 -6.643 1.00 0.00 C ATOM 238 OD1 ASN A 16 -2.860 -0.410 -6.304 1.00 0.00 O ATOM 239 ND2 ASN A 16 -3.552 1.692 -6.677 1.00 0.00 N ATOM 0 H ASN A 16 1.235 1.790 -7.013 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.228 0.531 -5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.085 2.226 -6.833 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.102 1.040 -8.122 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.513 1.469 -6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.308 2.640 -6.964 1.00 0.00 H new ATOM 246 N CYS A 17 -1.139 -1.779 -5.769 1.00 0.00 N ATOM 247 CA CYS A 17 -1.388 -3.208 -5.912 1.00 0.00 C ATOM 248 C CYS A 17 -2.865 -3.515 -5.710 1.00 0.00 C ATOM 249 O CYS A 17 -3.289 -4.670 -5.773 1.00 0.00 O ATOM 250 CB CYS A 17 -0.548 -3.999 -4.908 1.00 0.00 C ATOM 251 SG CYS A 17 -0.843 -5.797 -4.942 1.00 0.00 S ATOM 0 H CYS A 17 -1.639 -1.339 -4.996 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.103 -3.505 -6.921 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.507 -3.811 -5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.755 -3.627 -3.905 1.00 0.00 H new ATOM 256 N GLY A 18 -3.642 -2.469 -5.466 1.00 0.00 N ATOM 257 CA GLY A 18 -5.066 -2.630 -5.255 1.00 0.00 C ATOM 258 C GLY A 18 -5.772 -1.305 -5.052 1.00 0.00 C ATOM 259 O GLY A 18 -5.474 -0.323 -5.733 1.00 0.00 O ATOM 0 H GLY A 18 -3.309 -1.507 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.502 -3.144 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.232 -3.265 -4.385 1.00 0.00 H new ATOM 263 N PHE A 19 -6.711 -1.280 -4.116 1.00 0.00 N ATOM 264 CA PHE A 19 -7.463 -0.066 -3.817 1.00 0.00 C ATOM 265 C PHE A 19 -7.003 0.551 -2.501 1.00 0.00 C ATOM 266 O PHE A 19 -6.229 -0.052 -1.757 1.00 0.00 O ATOM 267 CB PHE A 19 -8.962 -0.369 -3.761 1.00 0.00 C ATOM 268 CG PHE A 19 -9.332 -1.405 -2.739 1.00 0.00 C ATOM 269 CD1 PHE A 19 -9.212 -2.755 -3.028 1.00 0.00 C ATOM 270 CD2 PHE A 19 -9.803 -1.030 -1.491 1.00 0.00 C ATOM 271 CE1 PHE A 19 -9.554 -3.710 -2.090 1.00 0.00 C ATOM 272 CE2 PHE A 19 -10.146 -1.981 -0.550 1.00 0.00 C ATOM 273 CZ PHE A 19 -10.022 -3.323 -0.849 1.00 0.00 C ATOM 0 H PHE A 19 -6.971 -2.087 -3.549 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.276 0.652 -4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.502 0.552 -3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.292 -0.707 -4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.847 -3.064 -3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.903 0.018 -1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.456 -4.759 -2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.511 -1.675 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.290 -4.068 -0.115 1.00 0.00 H new ATOM 283 N PRO A 20 -7.479 1.769 -2.199 1.00 0.00 N ATOM 284 CA PRO A 20 -7.119 2.479 -0.967 1.00 0.00 C ATOM 285 C PRO A 20 -7.762 1.861 0.269 1.00 0.00 C ATOM 286 O PRO A 20 -7.158 1.820 1.340 1.00 0.00 O ATOM 287 CB PRO A 20 -7.660 3.890 -1.203 1.00 0.00 C ATOM 288 CG PRO A 20 -8.790 3.705 -2.157 1.00 0.00 C ATOM 289 CD PRO A 20 -8.406 2.549 -3.038 1.00 0.00 C ATOM 0 HA PRO A 20 -6.047 2.444 -0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.998 4.346 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.893 4.544 -1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.719 3.498 -1.626 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.954 4.607 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.276 1.960 -3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.928 2.887 -3.957 1.00 0.00 H new ATOM 297 N GLY A 21 -8.994 1.385 0.115 1.00 0.00 N ATOM 298 CA GLY A 21 -9.704 0.788 1.231 1.00 0.00 C ATOM 299 C GLY A 21 -8.965 -0.396 1.823 1.00 0.00 C ATOM 300 O GLY A 21 -8.948 -0.579 3.040 1.00 0.00 O ATOM 0 H GLY A 21 -9.513 1.402 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.857 1.541 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.691 0.467 0.899 1.00 0.00 H new ATOM 304 N VAL A 22 -8.357 -1.203 0.961 1.00 0.00 N ATOM 305 CA VAL A 22 -7.620 -2.381 1.403 1.00 0.00 C ATOM 306 C VAL A 22 -7.020 -2.169 2.789 1.00 0.00 C ATOM 307 O VAL A 22 -6.773 -1.035 3.203 1.00 0.00 O ATOM 308 CB VAL A 22 -6.491 -2.740 0.419 1.00 0.00 C ATOM 309 CG1 VAL A 22 -7.061 -3.057 -0.955 1.00 0.00 C ATOM 310 CG2 VAL A 22 -5.477 -1.610 0.337 1.00 0.00 C ATOM 0 H VAL A 22 -8.360 -1.063 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.335 -3.203 1.441 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.980 -3.629 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.249 -3.308 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.745 -3.902 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.598 -2.188 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.686 -1.881 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.971 -0.702 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.045 -1.436 1.323 1.00 0.00 H new ATOM 320 N THR A 23 -6.787 -3.266 3.502 1.00 0.00 N ATOM 321 CA THR A 23 -6.211 -3.201 4.840 1.00 0.00 C ATOM 322 C THR A 23 -4.924 -4.016 4.924 1.00 0.00 C ATOM 323 O THR A 23 -4.532 -4.676 3.961 1.00 0.00 O ATOM 324 CB THR A 23 -7.200 -3.714 5.903 1.00 0.00 C ATOM 325 OG1 THR A 23 -7.548 -5.077 5.632 1.00 0.00 O ATOM 326 CG2 THR A 23 -8.459 -2.861 5.927 1.00 0.00 C ATOM 0 H THR A 23 -6.988 -4.211 3.175 1.00 0.00 H new ATOM 0 HA THR A 23 -5.988 -2.153 5.038 1.00 0.00 H new ATOM 0 HB THR A 23 -6.716 -3.649 6.878 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.437 -5.611 6.446 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.143 -3.243 6.685 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.195 -1.830 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.943 -2.899 4.951 1.00 0.00 H new ATOM 334 N PRO A 24 -4.252 -3.975 6.084 1.00 0.00 N ATOM 335 CA PRO A 24 -3.001 -4.707 6.300 1.00 0.00 C ATOM 336 C PRO A 24 -3.127 -6.187 5.950 1.00 0.00 C ATOM 337 O PRO A 24 -2.292 -6.737 5.232 1.00 0.00 O ATOM 338 CB PRO A 24 -2.742 -4.534 7.799 1.00 0.00 C ATOM 339 CG PRO A 24 -3.450 -3.276 8.163 1.00 0.00 C ATOM 340 CD PRO A 24 -4.661 -3.211 7.274 1.00 0.00 C ATOM 0 HA PRO A 24 -2.196 -4.332 5.668 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.124 -5.382 8.367 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.675 -4.463 8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.737 -3.280 9.214 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.808 -2.409 8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.535 -3.651 7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.920 -2.183 7.022 1.00 0.00 H new ATOM 348 N SER A 25 -4.172 -6.825 6.463 1.00 0.00 N ATOM 349 CA SER A 25 -4.402 -8.243 6.212 1.00 0.00 C ATOM 350 C SER A 25 -4.978 -8.463 4.817 1.00 0.00 C ATOM 351 O SER A 25 -4.578 -9.387 4.109 1.00 0.00 O ATOM 352 CB SER A 25 -5.348 -8.822 7.266 1.00 0.00 C ATOM 353 OG SER A 25 -6.602 -8.161 7.245 1.00 0.00 O ATOM 0 H SER A 25 -4.874 -6.383 7.056 1.00 0.00 H new ATOM 0 HA SER A 25 -3.443 -8.757 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.492 -9.887 7.084 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.899 -8.725 8.254 1.00 0.00 H new ATOM 0 HG SER A 25 -7.189 -8.551 7.926 1.00 0.00 H new ATOM 359 N GLN A 26 -5.921 -7.611 4.430 1.00 0.00 N ATOM 360 CA GLN A 26 -6.556 -7.717 3.121 1.00 0.00 C ATOM 361 C GLN A 26 -5.525 -7.600 2.004 1.00 0.00 C ATOM 362 O GLN A 26 -5.617 -8.287 0.985 1.00 0.00 O ATOM 363 CB GLN A 26 -7.624 -6.632 2.961 1.00 0.00 C ATOM 364 CG GLN A 26 -8.732 -6.714 3.996 1.00 0.00 C ATOM 365 CD GLN A 26 -9.774 -5.626 3.824 1.00 0.00 C ATOM 366 OE1 GLN A 26 -10.393 -5.184 4.791 1.00 0.00 O ATOM 367 NE2 GLN A 26 -9.972 -5.188 2.586 1.00 0.00 N ATOM 0 H GLN A 26 -6.263 -6.840 5.003 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.029 -8.697 3.052 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.149 -5.653 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.061 -6.708 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.215 -7.689 3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.298 -6.642 4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.436 -5.583 1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.660 -4.456 2.408 1.00 0.00 H new ATOM 376 N CYS A 27 -4.541 -6.728 2.201 1.00 0.00 N ATOM 377 CA CYS A 27 -3.492 -6.523 1.209 1.00 0.00 C ATOM 378 C CYS A 27 -2.539 -7.712 1.173 1.00 0.00 C ATOM 379 O CYS A 27 -2.379 -8.361 0.139 1.00 0.00 O ATOM 380 CB CYS A 27 -2.715 -5.241 1.516 1.00 0.00 C ATOM 381 SG CYS A 27 -1.385 -4.872 0.327 1.00 0.00 S ATOM 0 H CYS A 27 -4.448 -6.153 3.038 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.964 -6.428 0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.412 -4.403 1.536 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.283 -5.321 2.514 1.00 0.00 H new ATOM 386 N ALA A 28 -1.910 -7.996 2.309 1.00 0.00 N ATOM 387 CA ALA A 28 -0.978 -9.111 2.409 1.00 0.00 C ATOM 388 C ALA A 28 -1.633 -10.415 1.969 1.00 0.00 C ATOM 389 O ALA A 28 -0.958 -11.337 1.511 1.00 0.00 O ATOM 390 CB ALA A 28 -0.453 -9.234 3.832 1.00 0.00 C ATOM 0 H ALA A 28 -2.030 -7.468 3.174 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.140 -8.913 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.242 -10.071 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.061 -8.314 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.286 -9.405 4.514 1.00 0.00 H new ATOM 396 N ASN A 29 -2.952 -10.485 2.109 1.00 0.00 N ATOM 397 CA ASN A 29 -3.701 -11.672 1.717 1.00 0.00 C ATOM 398 C ASN A 29 -3.682 -11.852 0.203 1.00 0.00 C ATOM 399 O ASN A 29 -4.069 -12.901 -0.312 1.00 0.00 O ATOM 400 CB ASN A 29 -5.145 -11.578 2.213 1.00 0.00 C ATOM 401 CG ASN A 29 -5.971 -12.788 1.826 1.00 0.00 C ATOM 402 OD1 ASN A 29 -6.038 -13.771 2.564 1.00 0.00 O ATOM 403 ND2 ASN A 29 -6.606 -12.723 0.661 1.00 0.00 N ATOM 0 H ASN A 29 -3.525 -9.733 2.491 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.224 -12.539 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.147 -11.473 3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.608 -10.680 1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.177 -13.508 0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.523 -11.888 0.081 1.00 0.00 H new ATOM 410 N LYS A 30 -3.227 -10.823 -0.504 1.00 0.00 N ATOM 411 CA LYS A 30 -3.152 -10.867 -1.959 1.00 0.00 C ATOM 412 C LYS A 30 -1.730 -11.163 -2.420 1.00 0.00 C ATOM 413 O LYS A 30 -1.501 -12.074 -3.216 1.00 0.00 O ATOM 414 CB LYS A 30 -3.630 -9.542 -2.556 1.00 0.00 C ATOM 415 CG LYS A 30 -3.601 -9.509 -4.076 1.00 0.00 C ATOM 416 CD LYS A 30 -2.191 -9.698 -4.612 1.00 0.00 C ATOM 417 CE LYS A 30 -2.162 -9.643 -6.131 1.00 0.00 C ATOM 418 NZ LYS A 30 -0.784 -9.819 -6.668 1.00 0.00 N ATOM 0 H LYS A 30 -2.904 -9.947 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.802 -11.669 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.647 -9.347 -2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.006 -8.735 -2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.249 -10.292 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.000 -8.558 -4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.539 -8.924 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.797 -10.656 -4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.811 -10.420 -6.535 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.563 -8.687 -6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.808 -9.775 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.170 -9.063 -6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.410 -10.742 -6.369 1.00 0.00 H new ATOM 432 N GLY A 31 -0.777 -10.386 -1.915 1.00 0.00 N ATOM 433 CA GLY A 31 0.611 -10.577 -2.290 1.00 0.00 C ATOM 434 C GLY A 31 1.360 -9.266 -2.428 1.00 0.00 C ATOM 435 O GLY A 31 2.200 -9.113 -3.313 1.00 0.00 O ATOM 0 H GLY A 31 -0.942 -9.628 -1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.104 -11.197 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.658 -11.120 -3.234 1.00 0.00 H new ATOM 439 N CYS A 32 1.052 -8.318 -1.549 1.00 0.00 N ATOM 440 CA CYS A 32 1.697 -7.011 -1.577 1.00 0.00 C ATOM 441 C CYS A 32 1.785 -6.413 -0.177 1.00 0.00 C ATOM 442 O CYS A 32 1.086 -6.845 0.738 1.00 0.00 O ATOM 443 CB CYS A 32 0.934 -6.059 -2.500 1.00 0.00 C ATOM 444 SG CYS A 32 0.892 -6.585 -4.244 1.00 0.00 S ATOM 0 H CYS A 32 0.360 -8.431 -0.809 1.00 0.00 H new ATOM 0 HA CYS A 32 2.709 -7.146 -1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.089 -5.961 -2.137 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.390 -5.071 -2.441 1.00 0.00 H new ATOM 449 N CYS A 33 2.644 -5.411 -0.022 1.00 0.00 N ATOM 450 CA CYS A 33 2.808 -4.735 1.259 1.00 0.00 C ATOM 451 C CYS A 33 1.643 -3.787 1.521 1.00 0.00 C ATOM 452 O CYS A 33 0.987 -3.321 0.589 1.00 0.00 O ATOM 453 CB CYS A 33 4.126 -3.961 1.286 1.00 0.00 C ATOM 454 SG CYS A 33 5.602 -4.994 1.013 1.00 0.00 S ATOM 0 H CYS A 33 3.238 -5.049 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 33 2.824 -5.491 2.044 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.094 -3.183 0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.220 -3.459 2.249 1.00 0.00 H new ATOM 459 N PHE A 34 1.385 -3.509 2.795 1.00 0.00 N ATOM 460 CA PHE A 34 0.286 -2.627 3.176 1.00 0.00 C ATOM 461 C PHE A 34 0.792 -1.447 3.999 1.00 0.00 C ATOM 462 O PHE A 34 1.624 -1.611 4.892 1.00 0.00 O ATOM 463 CB PHE A 34 -0.767 -3.402 3.968 1.00 0.00 C ATOM 464 CG PHE A 34 -1.942 -2.563 4.385 1.00 0.00 C ATOM 465 CD1 PHE A 34 -3.012 -2.370 3.526 1.00 0.00 C ATOM 466 CD2 PHE A 34 -1.975 -1.969 5.635 1.00 0.00 C ATOM 467 CE1 PHE A 34 -4.092 -1.599 3.908 1.00 0.00 C ATOM 468 CE2 PHE A 34 -3.053 -1.197 6.023 1.00 0.00 C ATOM 469 CZ PHE A 34 -4.114 -1.012 5.158 1.00 0.00 C ATOM 0 H PHE A 34 1.920 -3.880 3.580 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.167 -2.240 2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.123 -4.237 3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.301 -3.828 4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.001 -2.827 2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.148 -2.111 6.315 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.920 -1.455 3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.066 -0.739 7.001 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.959 -0.410 5.458 1.00 0.00 H new ATOM 479 N ASP A 35 0.282 -0.258 3.693 1.00 0.00 N ATOM 480 CA ASP A 35 0.676 0.950 4.406 1.00 0.00 C ATOM 481 C ASP A 35 -0.412 2.015 4.314 1.00 0.00 C ATOM 482 O ASP A 35 -0.323 2.940 3.507 1.00 0.00 O ATOM 483 CB ASP A 35 1.989 1.495 3.843 1.00 0.00 C ATOM 484 CG ASP A 35 2.445 2.756 4.554 1.00 0.00 C ATOM 485 OD1 ASP A 35 2.138 2.903 5.756 1.00 0.00 O ATOM 486 OD2 ASP A 35 3.108 3.594 3.909 1.00 0.00 O ATOM 0 H ASP A 35 -0.406 -0.106 2.955 1.00 0.00 H new ATOM 0 HA ASP A 35 0.819 0.692 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.763 0.732 3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.866 1.705 2.780 1.00 0.00 H new ATOM 491 N ASP A 36 -1.441 1.876 5.144 1.00 0.00 N ATOM 492 CA ASP A 36 -2.549 2.824 5.154 1.00 0.00 C ATOM 493 C ASP A 36 -2.263 3.986 6.099 1.00 0.00 C ATOM 494 O ASP A 36 -3.148 4.444 6.822 1.00 0.00 O ATOM 495 CB ASP A 36 -3.844 2.122 5.565 1.00 0.00 C ATOM 496 CG ASP A 36 -3.754 1.508 6.948 1.00 0.00 C ATOM 497 OD1 ASP A 36 -2.640 1.115 7.352 1.00 0.00 O ATOM 498 OD2 ASP A 36 -4.799 1.419 7.628 1.00 0.00 O ATOM 0 H ASP A 36 -1.530 1.116 5.818 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.664 3.221 4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.666 2.838 5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.078 1.343 4.839 1.00 0.00 H new ATOM 503 N THR A 37 -1.021 4.458 6.090 1.00 0.00 N ATOM 504 CA THR A 37 -0.619 5.567 6.946 1.00 0.00 C ATOM 505 C THR A 37 -0.270 6.800 6.120 1.00 0.00 C ATOM 506 O THR A 37 -0.156 7.904 6.652 1.00 0.00 O ATOM 507 CB THR A 37 0.593 5.190 7.819 1.00 0.00 C ATOM 508 OG1 THR A 37 1.707 4.841 6.990 1.00 0.00 O ATOM 509 CG2 THR A 37 0.255 4.027 8.739 1.00 0.00 C ATOM 0 H THR A 37 -0.276 4.090 5.499 1.00 0.00 H new ATOM 0 HA THR A 37 -1.468 5.793 7.591 1.00 0.00 H new ATOM 0 HB THR A 37 0.854 6.054 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.562 3.952 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.126 3.778 9.346 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.573 4.307 9.390 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.030 3.161 8.141 1.00 0.00 H new ATOM 517 N VAL A 38 -0.103 6.605 4.816 1.00 0.00 N ATOM 518 CA VAL A 38 0.232 7.701 3.916 1.00 0.00 C ATOM 519 C VAL A 38 -0.904 7.974 2.936 1.00 0.00 C ATOM 520 O VAL A 38 -1.102 7.229 1.975 1.00 0.00 O ATOM 521 CB VAL A 38 1.518 7.403 3.121 1.00 0.00 C ATOM 522 CG1 VAL A 38 1.849 8.558 2.189 1.00 0.00 C ATOM 523 CG2 VAL A 38 2.676 7.123 4.067 1.00 0.00 C ATOM 0 H VAL A 38 -0.194 5.697 4.359 1.00 0.00 H new ATOM 0 HA VAL A 38 0.393 8.582 4.538 1.00 0.00 H new ATOM 0 HB VAL A 38 1.351 6.513 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.760 8.330 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.027 8.707 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.997 9.466 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.576 6.915 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.846 7.993 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.437 6.261 4.689 1.00 0.00 H new ATOM 533 N ARG A 39 -1.648 9.046 3.184 1.00 0.00 N ATOM 534 CA ARG A 39 -2.765 9.418 2.323 1.00 0.00 C ATOM 535 C ARG A 39 -2.266 9.927 0.975 1.00 0.00 C ATOM 536 O ARG A 39 -1.062 10.060 0.756 1.00 0.00 O ATOM 537 CB ARG A 39 -3.626 10.487 3.000 1.00 0.00 C ATOM 538 CG ARG A 39 -4.224 10.038 4.322 1.00 0.00 C ATOM 539 CD ARG A 39 -5.073 11.131 4.948 1.00 0.00 C ATOM 540 NE ARG A 39 -5.654 10.712 6.221 1.00 0.00 N ATOM 541 CZ ARG A 39 -6.523 11.445 6.910 1.00 0.00 C ATOM 542 NH1 ARG A 39 -6.909 12.627 6.448 1.00 0.00 N ATOM 543 NH2 ARG A 39 -7.007 10.995 8.059 1.00 0.00 N ATOM 0 H ARG A 39 -1.498 9.673 3.974 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.372 8.529 2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.020 11.377 3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.432 10.774 2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.833 9.148 4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.424 9.759 5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.462 12.020 5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.871 11.409 4.260 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.378 9.807 6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.539 12.974 5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.576 13.189 6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.713 10.086 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.674 11.558 8.587 1.00 0.00 H new ATOM 557 N GLY A 40 -3.201 10.209 0.073 1.00 0.00 N ATOM 558 CA GLY A 40 -2.837 10.696 -1.245 1.00 0.00 C ATOM 559 C GLY A 40 -2.150 9.636 -2.083 1.00 0.00 C ATOM 560 O GLY A 40 -2.109 9.736 -3.310 1.00 0.00 O ATOM 0 H GLY A 40 -4.204 10.109 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.733 11.040 -1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.177 11.558 -1.142 1.00 0.00 H new ATOM 564 N VAL A 41 -1.613 8.618 -1.420 1.00 0.00 N ATOM 565 CA VAL A 41 -0.930 7.530 -2.111 1.00 0.00 C ATOM 566 C VAL A 41 -1.605 6.192 -1.833 1.00 0.00 C ATOM 567 O VAL A 41 -2.383 6.063 -0.887 1.00 0.00 O ATOM 568 CB VAL A 41 0.550 7.442 -1.694 1.00 0.00 C ATOM 569 CG1 VAL A 41 1.277 8.736 -2.022 1.00 0.00 C ATOM 570 CG2 VAL A 41 0.668 7.115 -0.213 1.00 0.00 C ATOM 0 H VAL A 41 -1.637 8.523 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.987 7.748 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 41 1.020 6.637 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.321 8.654 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.223 8.922 -3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.809 9.562 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.721 7.057 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.182 7.896 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.186 6.158 -0.012 1.00 0.00 H new ATOM 580 N PRO A 42 -1.311 5.177 -2.659 1.00 0.00 N ATOM 581 CA PRO A 42 -1.888 3.838 -2.505 1.00 0.00 C ATOM 582 C PRO A 42 -1.350 3.115 -1.275 1.00 0.00 C ATOM 583 O PRO A 42 -0.137 3.002 -1.090 1.00 0.00 O ATOM 584 CB PRO A 42 -1.456 3.117 -3.783 1.00 0.00 C ATOM 585 CG PRO A 42 -0.217 3.820 -4.214 1.00 0.00 C ATOM 586 CD PRO A 42 -0.393 5.258 -3.808 1.00 0.00 C ATOM 0 HA PRO A 42 -2.968 3.872 -2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.267 2.060 -3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.229 3.172 -4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.663 3.386 -3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.074 3.733 -5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.556 5.717 -3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.813 5.856 -4.617 1.00 0.00 H new ATOM 594 N TRP A 43 -2.257 2.627 -0.436 1.00 0.00 N ATOM 595 CA TRP A 43 -1.873 1.917 0.778 1.00 0.00 C ATOM 596 C TRP A 43 -1.311 0.538 0.449 1.00 0.00 C ATOM 597 O TRP A 43 -0.234 0.168 0.916 1.00 0.00 O ATOM 598 CB TRP A 43 -3.070 1.783 1.720 1.00 0.00 C ATOM 599 CG TRP A 43 -3.627 3.103 2.161 1.00 0.00 C ATOM 600 CD1 TRP A 43 -3.070 4.334 1.970 1.00 0.00 C ATOM 601 CD2 TRP A 43 -4.851 3.321 2.872 1.00 0.00 C ATOM 602 NE1 TRP A 43 -3.873 5.305 2.517 1.00 0.00 N ATOM 603 CE2 TRP A 43 -4.973 4.710 3.077 1.00 0.00 C ATOM 604 CE3 TRP A 43 -5.857 2.479 3.356 1.00 0.00 C ATOM 605 CZ2 TRP A 43 -6.058 5.272 3.743 1.00 0.00 C ATOM 606 CZ3 TRP A 43 -6.935 3.040 4.016 1.00 0.00 C ATOM 607 CH2 TRP A 43 -7.028 4.424 4.205 1.00 0.00 C ATOM 0 H TRP A 43 -3.264 2.710 -0.575 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.095 2.497 1.275 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.854 1.214 1.221 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.770 1.211 2.598 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -2.134 4.518 1.463 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.681 6.307 2.508 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.793 1.410 3.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.132 6.339 3.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.719 2.399 4.392 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.882 4.831 4.726 1.00 0.00 H new ATOM 618 N CYS A 44 -2.044 -0.217 -0.364 1.00 0.00 N ATOM 619 CA CYS A 44 -1.608 -1.548 -0.769 1.00 0.00 C ATOM 620 C CYS A 44 -0.857 -1.490 -2.094 1.00 0.00 C ATOM 621 O CYS A 44 -1.439 -1.186 -3.136 1.00 0.00 O ATOM 622 CB CYS A 44 -2.811 -2.486 -0.888 1.00 0.00 C ATOM 623 SG CYS A 44 -2.376 -4.203 -1.315 1.00 0.00 S ATOM 0 H CYS A 44 -2.941 0.070 -0.755 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.932 -1.933 -0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.354 -2.484 0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.489 -2.095 -1.646 1.00 0.00 H new ATOM 628 N PHE A 45 0.441 -1.770 -2.045 1.00 0.00 N ATOM 629 CA PHE A 45 1.279 -1.714 -3.237 1.00 0.00 C ATOM 630 C PHE A 45 2.214 -2.916 -3.303 1.00 0.00 C ATOM 631 O PHE A 45 2.416 -3.612 -2.308 1.00 0.00 O ATOM 632 CB PHE A 45 2.092 -0.418 -3.251 1.00 0.00 C ATOM 633 CG PHE A 45 2.995 -0.263 -2.061 1.00 0.00 C ATOM 634 CD1 PHE A 45 2.500 0.215 -0.857 1.00 0.00 C ATOM 635 CD2 PHE A 45 4.338 -0.595 -2.144 1.00 0.00 C ATOM 636 CE1 PHE A 45 3.328 0.358 0.240 1.00 0.00 C ATOM 637 CE2 PHE A 45 5.170 -0.453 -1.050 1.00 0.00 C ATOM 638 CZ PHE A 45 4.665 0.024 0.144 1.00 0.00 C ATOM 0 H PHE A 45 0.935 -2.038 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 45 0.628 -1.737 -4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.693 -0.386 -4.160 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.408 0.430 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.456 0.478 -0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.739 -0.969 -3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.930 0.731 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.215 -0.715 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.314 0.136 1.000 1.00 0.00 H new ATOM 648 N TYR A 46 2.778 -3.157 -4.481 1.00 0.00 N ATOM 649 CA TYR A 46 3.681 -4.285 -4.679 1.00 0.00 C ATOM 650 C TYR A 46 4.863 -4.204 -3.717 1.00 0.00 C ATOM 651 O TYR A 46 5.454 -3.141 -3.532 1.00 0.00 O ATOM 652 CB TYR A 46 4.183 -4.313 -6.123 1.00 0.00 C ATOM 653 CG TYR A 46 3.072 -4.335 -7.149 1.00 0.00 C ATOM 654 CD1 TYR A 46 2.111 -5.338 -7.143 1.00 0.00 C ATOM 655 CD2 TYR A 46 2.984 -3.349 -8.125 1.00 0.00 C ATOM 656 CE1 TYR A 46 1.094 -5.359 -8.080 1.00 0.00 C ATOM 657 CE2 TYR A 46 1.971 -3.363 -9.064 1.00 0.00 C ATOM 658 CZ TYR A 46 1.029 -4.369 -9.037 1.00 0.00 C ATOM 659 OH TYR A 46 0.019 -4.385 -9.972 1.00 0.00 O ATOM 0 H TYR A 46 2.626 -2.587 -5.313 1.00 0.00 H new ATOM 0 HA TYR A 46 3.131 -5.204 -4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.811 -3.439 -6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.813 -5.191 -6.263 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.159 -6.115 -6.394 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.720 -2.559 -8.149 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.355 -6.146 -8.062 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.917 -2.589 -9.816 1.00 0.00 H new ATOM 0 HH TYR A 46 0.117 -3.617 -10.573 1.00 0.00 H new ATOM 669 N PRO A 47 5.210 -5.334 -3.081 1.00 0.00 N ATOM 670 CA PRO A 47 6.295 -5.392 -2.102 1.00 0.00 C ATOM 671 C PRO A 47 7.669 -5.492 -2.756 1.00 0.00 C ATOM 672 O PRO A 47 7.851 -5.102 -3.910 1.00 0.00 O ATOM 673 CB PRO A 47 5.981 -6.666 -1.325 1.00 0.00 C ATOM 674 CG PRO A 47 5.308 -7.552 -2.317 1.00 0.00 C ATOM 675 CD PRO A 47 4.554 -6.643 -3.256 1.00 0.00 C ATOM 0 HA PRO A 47 6.344 -4.493 -1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.888 -7.126 -0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.334 -6.461 -0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.038 -8.152 -2.860 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.630 -8.247 -1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.621 -6.989 -4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.495 -6.597 -3.003 1.00 0.00 H new ATOM 683 N ASN A 48 8.633 -6.022 -2.010 1.00 0.00 N ATOM 684 CA ASN A 48 9.992 -6.187 -2.514 1.00 0.00 C ATOM 685 C ASN A 48 10.577 -7.521 -2.069 1.00 0.00 C ATOM 686 O ASN A 48 11.325 -7.589 -1.093 1.00 0.00 O ATOM 687 CB ASN A 48 10.880 -5.041 -2.026 1.00 0.00 C ATOM 688 CG ASN A 48 10.380 -3.686 -2.485 1.00 0.00 C ATOM 689 OD1 ASN A 48 9.772 -3.563 -3.548 1.00 0.00 O ATOM 690 ND2 ASN A 48 10.633 -2.660 -1.682 1.00 0.00 N ATOM 0 H ASN A 48 8.498 -6.345 -1.052 1.00 0.00 H new ATOM 0 HA ASN A 48 9.954 -6.172 -3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.925 -5.059 -0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.896 -5.192 -2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.320 -1.723 -1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.141 -2.808 -0.810 1.00 0.00 H new ATOM 965 N CYS B 7 -4.352 -30.084 -14.584 1.00 0.00 N ATOM 966 CA CYS B 7 -4.722 -31.446 -14.945 1.00 0.00 C ATOM 967 C CYS B 7 -3.503 -32.240 -15.405 1.00 0.00 C ATOM 968 O CYS B 7 -3.478 -33.467 -15.315 1.00 0.00 O ATOM 969 CB CYS B 7 -5.782 -31.435 -16.048 1.00 0.00 C ATOM 970 SG CYS B 7 -7.353 -30.649 -15.563 1.00 0.00 S ATOM 0 HA CYS B 7 -5.134 -31.929 -14.059 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -5.381 -30.914 -16.917 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.982 -32.462 -16.356 1.00 0.00 H new ATOM 975 N THR B 8 -2.492 -31.531 -15.899 1.00 0.00 N ATOM 976 CA THR B 8 -1.272 -32.171 -16.376 1.00 0.00 C ATOM 977 C THR B 8 -0.388 -32.604 -15.210 1.00 0.00 C ATOM 978 O THR B 8 0.577 -31.923 -14.864 1.00 0.00 O ATOM 979 CB THR B 8 -0.467 -31.232 -17.294 1.00 0.00 C ATOM 980 OG1 THR B 8 0.723 -31.890 -17.746 1.00 0.00 O ATOM 981 CG2 THR B 8 -0.096 -29.949 -16.565 1.00 0.00 C ATOM 0 H THR B 8 -2.494 -30.514 -15.979 1.00 0.00 H new ATOM 0 HA THR B 8 -1.577 -33.049 -16.945 1.00 0.00 H new ATOM 0 HB THR B 8 -1.090 -30.977 -18.152 1.00 0.00 H new ATOM 0 HG1 THR B 8 1.228 -31.287 -18.330 1.00 0.00 H new ATOM 0 HG21 THR B 8 0.472 -29.302 -17.233 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.004 -29.436 -16.247 1.00 0.00 H new ATOM 0 HG23 THR B 8 0.510 -30.189 -15.691 1.00 0.00 H new ATOM 989 N VAL B 9 -0.725 -33.740 -14.610 1.00 0.00 N ATOM 990 CA VAL B 9 0.034 -34.261 -13.479 1.00 0.00 C ATOM 991 C VAL B 9 0.415 -35.721 -13.695 1.00 0.00 C ATOM 992 O VAL B 9 0.047 -36.327 -14.702 1.00 0.00 O ATOM 993 CB VAL B 9 -0.762 -34.140 -12.165 1.00 0.00 C ATOM 994 CG1 VAL B 9 0.041 -34.696 -11.000 1.00 0.00 C ATOM 995 CG2 VAL B 9 -1.155 -32.692 -11.911 1.00 0.00 C ATOM 0 H VAL B 9 -1.518 -34.318 -14.888 1.00 0.00 H new ATOM 0 HA VAL B 9 0.940 -33.660 -13.405 1.00 0.00 H new ATOM 0 HB VAL B 9 -1.675 -34.729 -12.258 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -0.538 -34.602 -10.081 1.00 0.00 H new ATOM 0 HG12 VAL B 9 0.265 -35.747 -11.181 1.00 0.00 H new ATOM 0 HG13 VAL B 9 0.972 -34.138 -10.901 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -1.716 -32.625 -10.979 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -0.257 -32.079 -11.838 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -1.774 -32.333 -12.734 1.00 0.00 H new ATOM 1005 N ALA B 10 1.157 -36.280 -12.745 1.00 0.00 N ATOM 1006 CA ALA B 10 1.596 -37.668 -12.834 1.00 0.00 C ATOM 1007 C ALA B 10 0.532 -38.618 -12.294 1.00 0.00 C ATOM 1008 O ALA B 10 -0.259 -38.249 -11.426 1.00 0.00 O ATOM 1009 CB ALA B 10 2.905 -37.856 -12.082 1.00 0.00 C ATOM 0 H ALA B 10 1.467 -35.793 -11.904 1.00 0.00 H new ATOM 0 HA ALA B 10 1.756 -37.905 -13.886 1.00 0.00 H new ATOM 0 HB1 ALA B 10 3.221 -38.896 -12.157 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.670 -37.212 -12.516 1.00 0.00 H new ATOM 0 HB3 ALA B 10 2.763 -37.594 -11.033 1.00 0.00 H new ATOM 1015 N PRO B 11 0.506 -39.856 -12.806 1.00 0.00 N ATOM 1016 CA PRO B 11 -0.462 -40.872 -12.379 1.00 0.00 C ATOM 1017 C PRO B 11 -0.413 -41.123 -10.876 1.00 0.00 C ATOM 1018 O PRO B 11 -1.331 -41.709 -10.303 1.00 0.00 O ATOM 1019 CB PRO B 11 -0.029 -42.128 -13.144 1.00 0.00 C ATOM 1020 CG PRO B 11 0.745 -41.620 -14.311 1.00 0.00 C ATOM 1021 CD PRO B 11 1.419 -40.362 -13.844 1.00 0.00 C ATOM 0 HA PRO B 11 -1.488 -40.565 -12.585 1.00 0.00 H new ATOM 0 HB2 PRO B 11 0.581 -42.780 -12.519 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -0.892 -42.711 -13.466 1.00 0.00 H new ATOM 0 HG2 PRO B 11 1.478 -42.355 -14.643 1.00 0.00 H new ATOM 0 HG3 PRO B 11 0.088 -41.420 -15.158 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.413 -40.563 -13.443 1.00 0.00 H new ATOM 0 HD3 PRO B 11 1.542 -39.646 -14.656 1.00 0.00 H new ATOM 1029 N ARG B 12 0.670 -40.683 -10.245 1.00 0.00 N ATOM 1030 CA ARG B 12 0.852 -40.876 -8.810 1.00 0.00 C ATOM 1031 C ARG B 12 0.121 -39.799 -8.015 1.00 0.00 C ATOM 1032 O ARG B 12 -0.320 -40.036 -6.890 1.00 0.00 O ATOM 1033 CB ARG B 12 2.342 -40.866 -8.461 1.00 0.00 C ATOM 1034 CG ARG B 12 3.132 -41.968 -9.148 1.00 0.00 C ATOM 1035 CD ARG B 12 4.611 -41.890 -8.807 1.00 0.00 C ATOM 1036 NE ARG B 12 5.205 -40.627 -9.235 1.00 0.00 N ATOM 1037 CZ ARG B 12 6.503 -40.464 -9.464 1.00 0.00 C ATOM 1038 NH1 ARG B 12 7.340 -41.480 -9.307 1.00 0.00 N ATOM 1039 NH2 ARG B 12 6.967 -39.283 -9.852 1.00 0.00 N ATOM 0 H ARG B 12 1.436 -40.190 -10.704 1.00 0.00 H new ATOM 0 HA ARG B 12 0.429 -41.844 -8.542 1.00 0.00 H new ATOM 0 HB2 ARG B 12 2.765 -39.900 -8.737 1.00 0.00 H new ATOM 0 HB3 ARG B 12 2.455 -40.967 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG B 12 2.739 -42.940 -8.848 1.00 0.00 H new ATOM 0 HG3 ARG B 12 3.002 -41.891 -10.228 1.00 0.00 H new ATOM 0 HD2 ARG B 12 4.742 -42.006 -7.731 1.00 0.00 H new ATOM 0 HD3 ARG B 12 5.137 -42.718 -9.283 1.00 0.00 H new ATOM 0 HE ARG B 12 4.589 -39.825 -9.365 1.00 0.00 H new ATOM 0 HH11 ARG B 12 6.988 -42.390 -9.010 1.00 0.00 H new ATOM 0 HH12 ARG B 12 8.336 -41.352 -9.484 1.00 0.00 H new ATOM 0 HH21 ARG B 12 6.327 -38.499 -9.975 1.00 0.00 H new ATOM 0 HH22 ARG B 12 7.964 -39.159 -10.027 1.00 0.00 H new ATOM 1053 N GLU B 13 -0.003 -38.615 -8.606 1.00 0.00 N ATOM 1054 CA GLU B 13 -0.684 -37.503 -7.952 1.00 0.00 C ATOM 1055 C GLU B 13 -2.146 -37.436 -8.378 1.00 0.00 C ATOM 1056 O GLU B 13 -2.976 -36.841 -7.690 1.00 0.00 O ATOM 1057 CB GLU B 13 0.018 -36.183 -8.279 1.00 0.00 C ATOM 1058 CG GLU B 13 1.469 -36.138 -7.830 1.00 0.00 C ATOM 1059 CD GLU B 13 2.142 -34.821 -8.162 1.00 0.00 C ATOM 1060 OE1 GLU B 13 2.719 -34.710 -9.265 1.00 0.00 O ATOM 1061 OE2 GLU B 13 2.092 -33.901 -7.320 1.00 0.00 O ATOM 0 H GLU B 13 0.359 -38.401 -9.535 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.646 -37.668 -6.875 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.026 -36.015 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.526 -35.365 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.518 -36.305 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.018 -36.952 -8.304 1.00 0.00 H new ATOM 1068 N ARG B 14 -2.456 -38.060 -9.510 1.00 0.00 N ATOM 1069 CA ARG B 14 -3.826 -38.101 -10.005 1.00 0.00 C ATOM 1070 C ARG B 14 -4.727 -38.852 -9.031 1.00 0.00 C ATOM 1071 O ARG B 14 -4.808 -40.080 -9.065 1.00 0.00 O ATOM 1072 CB ARG B 14 -3.877 -38.766 -11.382 1.00 0.00 C ATOM 1073 CG ARG B 14 -3.031 -38.061 -12.429 1.00 0.00 C ATOM 1074 CD ARG B 14 -3.122 -38.758 -13.777 1.00 0.00 C ATOM 1075 NE ARG B 14 -2.312 -38.091 -14.792 1.00 0.00 N ATOM 1076 CZ ARG B 14 -2.371 -38.380 -16.088 1.00 0.00 C ATOM 1077 NH1 ARG B 14 -3.198 -39.322 -16.522 1.00 0.00 N ATOM 1078 NH2 ARG B 14 -1.605 -37.728 -16.952 1.00 0.00 N ATOM 0 H ARG B 14 -1.778 -38.543 -10.100 1.00 0.00 H new ATOM 0 HA ARG B 14 -4.186 -37.076 -10.095 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -3.541 -39.799 -11.290 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -4.912 -38.797 -11.723 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -3.361 -37.027 -12.529 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -1.992 -38.034 -12.101 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -2.794 -39.792 -13.673 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -4.162 -38.784 -14.102 1.00 0.00 H new ATOM 0 HE ARG B 14 -1.665 -37.363 -14.490 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -3.790 -39.825 -15.861 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -3.242 -39.543 -17.517 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -0.968 -37.002 -16.623 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -1.653 -37.952 -17.946 1.00 0.00 H new ATOM 1092 N GLN B 15 -5.389 -38.108 -8.153 1.00 0.00 N ATOM 1093 CA GLN B 15 -6.247 -38.705 -7.138 1.00 0.00 C ATOM 1094 C GLN B 15 -7.600 -39.092 -7.727 1.00 0.00 C ATOM 1095 O GLN B 15 -8.483 -38.250 -7.887 1.00 0.00 O ATOM 1096 CB GLN B 15 -6.435 -37.735 -5.972 1.00 0.00 C ATOM 1097 CG GLN B 15 -7.282 -38.294 -4.841 1.00 0.00 C ATOM 1098 CD GLN B 15 -7.352 -37.353 -3.655 1.00 0.00 C ATOM 1099 OE1 GLN B 15 -8.348 -37.319 -2.933 1.00 0.00 O ATOM 1100 NE2 GLN B 15 -6.289 -36.582 -3.450 1.00 0.00 N ATOM 0 H GLN B 15 -5.348 -37.089 -8.124 1.00 0.00 H new ATOM 0 HA GLN B 15 -5.765 -39.611 -6.772 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -5.456 -37.460 -5.579 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -6.898 -36.821 -6.343 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -8.290 -38.489 -5.207 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -6.869 -39.250 -4.519 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -5.485 -36.645 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -6.277 -35.928 -2.668 1.00 0.00 H new ATOM 1109 N ASN B 16 -7.746 -40.370 -8.060 1.00 0.00 N ATOM 1110 CA ASN B 16 -8.973 -40.873 -8.665 1.00 0.00 C ATOM 1111 C ASN B 16 -10.162 -39.979 -8.329 1.00 0.00 C ATOM 1112 O ASN B 16 -10.209 -39.361 -7.264 1.00 0.00 O ATOM 1113 CB ASN B 16 -9.248 -42.302 -8.194 1.00 0.00 C ATOM 1114 CG ASN B 16 -10.515 -42.877 -8.798 1.00 0.00 C ATOM 1115 OD1 ASN B 16 -11.184 -43.711 -8.187 1.00 0.00 O ATOM 1116 ND2 ASN B 16 -10.849 -42.435 -10.004 1.00 0.00 N ATOM 0 H ASN B 16 -7.026 -41.079 -7.920 1.00 0.00 H new ATOM 0 HA ASN B 16 -8.838 -40.870 -9.747 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -8.402 -42.937 -8.458 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -9.329 -42.314 -7.107 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -11.690 -42.787 -10.461 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -10.265 -41.743 -10.473 1.00 0.00 H new ATOM 1123 N CYS B 17 -11.127 -39.926 -9.240 1.00 0.00 N ATOM 1124 CA CYS B 17 -12.337 -39.138 -9.038 1.00 0.00 C ATOM 1125 C CYS B 17 -13.552 -39.871 -9.596 1.00 0.00 C ATOM 1126 O CYS B 17 -14.663 -39.341 -9.599 1.00 0.00 O ATOM 1127 CB CYS B 17 -12.198 -37.769 -9.705 1.00 0.00 C ATOM 1128 SG CYS B 17 -13.689 -36.730 -9.589 1.00 0.00 S ATOM 0 H CYS B 17 -11.094 -40.422 -10.130 1.00 0.00 H new ATOM 0 HA CYS B 17 -12.478 -38.995 -7.967 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -11.362 -37.238 -9.249 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -11.949 -37.913 -10.756 1.00 0.00 H new ATOM 1133 N GLY B 18 -13.328 -41.093 -10.066 1.00 0.00 N ATOM 1134 CA GLY B 18 -14.408 -41.887 -10.622 1.00 0.00 C ATOM 1135 C GLY B 18 -14.020 -43.341 -10.807 1.00 0.00 C ATOM 1136 O GLY B 18 -13.376 -43.932 -9.942 1.00 0.00 O ATOM 0 H GLY B 18 -12.416 -41.549 -10.072 1.00 0.00 H new ATOM 0 HA2 GLY B 18 -15.276 -41.826 -9.965 1.00 0.00 H new ATOM 0 HA3 GLY B 18 -14.706 -41.468 -11.583 1.00 0.00 H new ATOM 1140 N PHE B 19 -14.410 -43.916 -11.940 1.00 0.00 N ATOM 1141 CA PHE B 19 -14.086 -45.306 -12.241 1.00 0.00 C ATOM 1142 C PHE B 19 -12.979 -45.391 -13.289 1.00 0.00 C ATOM 1143 O PHE B 19 -12.530 -44.373 -13.815 1.00 0.00 O ATOM 1144 CB PHE B 19 -15.333 -46.048 -12.726 1.00 0.00 C ATOM 1145 CG PHE B 19 -15.953 -45.454 -13.957 1.00 0.00 C ATOM 1146 CD1 PHE B 19 -16.741 -44.317 -13.872 1.00 0.00 C ATOM 1147 CD2 PHE B 19 -15.751 -46.033 -15.200 1.00 0.00 C ATOM 1148 CE1 PHE B 19 -17.316 -43.769 -15.004 1.00 0.00 C ATOM 1149 CE2 PHE B 19 -16.323 -45.491 -16.334 1.00 0.00 C ATOM 1150 CZ PHE B 19 -17.107 -44.357 -16.236 1.00 0.00 C ATOM 0 H PHE B 19 -14.950 -43.442 -12.664 1.00 0.00 H new ATOM 0 HA PHE B 19 -13.728 -45.779 -11.327 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -15.070 -47.086 -12.928 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -16.073 -46.056 -11.926 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -16.908 -43.854 -12.911 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -15.139 -46.919 -15.283 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -17.928 -42.882 -14.925 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -16.158 -45.953 -17.296 1.00 0.00 H new ATOM 0 HZ PHE B 19 -17.555 -43.931 -17.121 1.00 0.00 H new ATOM 1160 N PRO B 20 -12.516 -46.614 -13.591 1.00 0.00 N ATOM 1161 CA PRO B 20 -11.431 -46.833 -14.554 1.00 0.00 C ATOM 1162 C PRO B 20 -11.835 -46.472 -15.980 1.00 0.00 C ATOM 1163 O PRO B 20 -11.008 -46.023 -16.774 1.00 0.00 O ATOM 1164 CB PRO B 20 -11.149 -48.334 -14.442 1.00 0.00 C ATOM 1165 CG PRO B 20 -12.410 -48.921 -13.911 1.00 0.00 C ATOM 1166 CD PRO B 20 -13.005 -47.876 -13.011 1.00 0.00 C ATOM 0 HA PRO B 20 -10.566 -46.206 -14.337 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -10.892 -48.761 -15.411 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -10.310 -48.530 -13.774 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -13.094 -49.174 -14.721 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -12.211 -49.842 -13.362 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -14.094 -47.922 -13.006 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -12.676 -47.999 -11.979 1.00 0.00 H new ATOM 1174 N GLY B 21 -13.108 -46.676 -16.300 1.00 0.00 N ATOM 1175 CA GLY B 21 -13.592 -46.381 -17.636 1.00 0.00 C ATOM 1176 C GLY B 21 -14.181 -44.989 -17.748 1.00 0.00 C ATOM 1177 O GLY B 21 -14.723 -44.618 -18.789 1.00 0.00 O ATOM 0 H GLY B 21 -13.813 -47.040 -15.659 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -12.772 -46.483 -18.346 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -14.348 -47.115 -17.915 1.00 0.00 H new ATOM 1181 N VAL B 22 -14.077 -44.215 -16.672 1.00 0.00 N ATOM 1182 CA VAL B 22 -14.605 -42.856 -16.654 1.00 0.00 C ATOM 1183 C VAL B 22 -14.394 -42.162 -17.994 1.00 0.00 C ATOM 1184 O VAL B 22 -13.462 -42.482 -18.732 1.00 0.00 O ATOM 1185 CB VAL B 22 -13.954 -42.011 -15.544 1.00 0.00 C ATOM 1186 CG1 VAL B 22 -14.291 -42.578 -14.173 1.00 0.00 C ATOM 1187 CG2 VAL B 22 -12.447 -41.939 -15.743 1.00 0.00 C ATOM 0 H VAL B 22 -13.632 -44.506 -15.802 1.00 0.00 H new ATOM 0 HA VAL B 22 -15.674 -42.940 -16.456 1.00 0.00 H new ATOM 0 HB VAL B 22 -14.354 -40.999 -15.601 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -13.822 -41.967 -13.401 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -15.372 -42.573 -14.033 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -13.921 -43.601 -14.101 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -12.004 -41.338 -14.949 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -12.028 -42.945 -15.714 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -12.229 -41.483 -16.709 1.00 0.00 H new ATOM 1197 N THR B 23 -15.264 -41.205 -18.297 1.00 0.00 N ATOM 1198 CA THR B 23 -15.170 -40.447 -19.538 1.00 0.00 C ATOM 1199 C THR B 23 -15.201 -38.948 -19.261 1.00 0.00 C ATOM 1200 O THR B 23 -15.407 -38.524 -18.125 1.00 0.00 O ATOM 1201 CB THR B 23 -16.316 -40.809 -20.501 1.00 0.00 C ATOM 1202 OG1 THR B 23 -17.579 -40.516 -19.891 1.00 0.00 O ATOM 1203 CG2 THR B 23 -16.260 -42.281 -20.878 1.00 0.00 C ATOM 0 H THR B 23 -16.044 -40.936 -17.698 1.00 0.00 H new ATOM 0 HA THR B 23 -14.220 -40.708 -20.005 1.00 0.00 H new ATOM 0 HB THR B 23 -16.203 -40.213 -21.407 1.00 0.00 H new ATOM 0 HG1 THR B 23 -17.998 -39.761 -20.354 1.00 0.00 H new ATOM 0 HG21 THR B 23 -17.079 -42.514 -21.559 1.00 0.00 H new ATOM 0 HG22 THR B 23 -15.310 -42.495 -21.367 1.00 0.00 H new ATOM 0 HG23 THR B 23 -16.351 -42.891 -19.979 1.00 0.00 H new ATOM 1211 N PRO B 24 -14.996 -38.126 -20.301 1.00 0.00 N ATOM 1212 CA PRO B 24 -15.004 -36.667 -20.167 1.00 0.00 C ATOM 1213 C PRO B 24 -16.317 -36.148 -19.591 1.00 0.00 C ATOM 1214 O PRO B 24 -16.341 -35.144 -18.879 1.00 0.00 O ATOM 1215 CB PRO B 24 -14.810 -36.162 -21.605 1.00 0.00 C ATOM 1216 CG PRO B 24 -15.116 -37.332 -22.478 1.00 0.00 C ATOM 1217 CD PRO B 24 -14.744 -38.551 -21.684 1.00 0.00 C ATOM 0 HA PRO B 24 -14.232 -36.321 -19.479 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -15.475 -35.326 -21.821 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -13.791 -35.809 -21.764 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -16.172 -37.351 -22.749 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -14.549 -37.284 -23.407 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -15.351 -39.414 -21.959 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -13.702 -38.832 -21.838 1.00 0.00 H new ATOM 1225 N SER B 25 -17.407 -36.844 -19.898 1.00 0.00 N ATOM 1226 CA SER B 25 -18.723 -36.462 -19.399 1.00 0.00 C ATOM 1227 C SER B 25 -18.967 -37.041 -18.009 1.00 0.00 C ATOM 1228 O SER B 25 -19.364 -36.326 -17.088 1.00 0.00 O ATOM 1229 CB SER B 25 -19.814 -36.937 -20.360 1.00 0.00 C ATOM 1230 OG SER B 25 -19.789 -38.348 -20.504 1.00 0.00 O ATOM 0 H SER B 25 -17.405 -37.675 -20.490 1.00 0.00 H new ATOM 0 HA SER B 25 -18.756 -35.375 -19.331 1.00 0.00 H new ATOM 0 HB2 SER B 25 -20.790 -36.623 -19.990 1.00 0.00 H new ATOM 0 HB3 SER B 25 -19.676 -36.467 -21.333 1.00 0.00 H new ATOM 0 HG SER B 25 -20.497 -38.626 -21.122 1.00 0.00 H new ATOM 1236 N GLN B 26 -18.729 -38.341 -17.864 1.00 0.00 N ATOM 1237 CA GLN B 26 -18.927 -39.018 -16.588 1.00 0.00 C ATOM 1238 C GLN B 26 -18.025 -38.424 -15.511 1.00 0.00 C ATOM 1239 O GLN B 26 -18.390 -38.379 -14.336 1.00 0.00 O ATOM 1240 CB GLN B 26 -18.649 -40.515 -16.733 1.00 0.00 C ATOM 1241 CG GLN B 26 -19.550 -41.206 -17.742 1.00 0.00 C ATOM 1242 CD GLN B 26 -19.253 -42.688 -17.870 1.00 0.00 C ATOM 1243 OE1 GLN B 26 -18.432 -43.100 -18.689 1.00 0.00 O ATOM 1244 NE2 GLN B 26 -19.924 -43.498 -17.058 1.00 0.00 N ATOM 0 H GLN B 26 -18.399 -38.947 -18.615 1.00 0.00 H new ATOM 0 HA GLN B 26 -19.965 -38.875 -16.287 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -17.610 -40.656 -17.030 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -18.771 -40.994 -15.762 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -20.590 -41.072 -17.446 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -19.431 -40.730 -18.715 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -20.596 -43.113 -16.394 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -19.767 -44.505 -17.099 1.00 0.00 H new ATOM 1253 N CYS B 27 -16.844 -37.971 -15.919 1.00 0.00 N ATOM 1254 CA CYS B 27 -15.887 -37.386 -14.988 1.00 0.00 C ATOM 1255 C CYS B 27 -16.267 -35.947 -14.654 1.00 0.00 C ATOM 1256 O CYS B 27 -16.438 -35.595 -13.489 1.00 0.00 O ATOM 1257 CB CYS B 27 -14.477 -37.432 -15.580 1.00 0.00 C ATOM 1258 SG CYS B 27 -13.176 -36.834 -14.453 1.00 0.00 S ATOM 0 H CYS B 27 -16.527 -37.998 -16.888 1.00 0.00 H new ATOM 0 HA CYS B 27 -15.905 -37.970 -14.068 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -14.249 -38.458 -15.868 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -14.457 -36.833 -16.490 1.00 0.00 H new ATOM 1263 N ALA B 28 -16.412 -35.125 -15.688 1.00 0.00 N ATOM 1264 CA ALA B 28 -16.810 -33.734 -15.508 1.00 0.00 C ATOM 1265 C ALA B 28 -18.018 -33.629 -14.586 1.00 0.00 C ATOM 1266 O ALA B 28 -18.143 -32.677 -13.815 1.00 0.00 O ATOM 1267 CB ALA B 28 -17.111 -33.092 -16.855 1.00 0.00 C ATOM 0 H ALA B 28 -16.260 -35.398 -16.659 1.00 0.00 H new ATOM 0 HA ALA B 28 -15.982 -33.199 -15.043 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -17.407 -32.054 -16.705 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -16.221 -33.129 -17.483 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -17.921 -33.633 -17.343 1.00 0.00 H new ATOM 1273 N ASN B 29 -18.900 -34.622 -14.657 1.00 0.00 N ATOM 1274 CA ASN B 29 -20.073 -34.663 -13.792 1.00 0.00 C ATOM 1275 C ASN B 29 -19.670 -34.445 -12.339 1.00 0.00 C ATOM 1276 O ASN B 29 -20.435 -33.898 -11.545 1.00 0.00 O ATOM 1277 CB ASN B 29 -20.796 -36.004 -13.940 1.00 0.00 C ATOM 1278 CG ASN B 29 -22.024 -36.099 -13.056 1.00 0.00 C ATOM 1279 OD1 ASN B 29 -22.668 -35.094 -12.757 1.00 0.00 O ATOM 1280 ND2 ASN B 29 -22.355 -37.314 -12.633 1.00 0.00 N ATOM 0 H ASN B 29 -18.824 -35.407 -15.304 1.00 0.00 H new ATOM 0 HA ASN B 29 -20.750 -33.863 -14.091 1.00 0.00 H new ATOM 0 HB2 ASN B 29 -21.089 -36.143 -14.981 1.00 0.00 H new ATOM 0 HB3 ASN B 29 -20.109 -36.813 -13.692 1.00 0.00 H new ATOM 0 HD21 ASN B 29 -23.172 -37.441 -12.036 1.00 0.00 H new ATOM 0 HD22 ASN B 29 -21.792 -38.120 -12.906 1.00 0.00 H new ATOM 1287 N LYS B 30 -18.450 -34.855 -12.008 1.00 0.00 N ATOM 1288 CA LYS B 30 -17.905 -34.640 -10.673 1.00 0.00 C ATOM 1289 C LYS B 30 -17.010 -33.407 -10.653 1.00 0.00 C ATOM 1290 O LYS B 30 -16.650 -32.903 -9.588 1.00 0.00 O ATOM 1291 CB LYS B 30 -17.113 -35.868 -10.220 1.00 0.00 C ATOM 1292 CG LYS B 30 -17.953 -37.132 -10.127 1.00 0.00 C ATOM 1293 CD LYS B 30 -17.122 -38.317 -9.662 1.00 0.00 C ATOM 1294 CE LYS B 30 -16.517 -38.069 -8.290 1.00 0.00 C ATOM 1295 NZ LYS B 30 -17.562 -37.831 -7.256 1.00 0.00 N ATOM 0 H LYS B 30 -17.819 -35.339 -12.647 1.00 0.00 H new ATOM 0 HA LYS B 30 -18.735 -34.480 -9.985 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -16.292 -36.038 -10.916 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -16.668 -35.664 -9.246 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -18.780 -36.971 -9.435 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -18.391 -37.352 -11.101 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -17.746 -39.210 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -16.327 -38.510 -10.382 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -15.909 -38.926 -8.001 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -15.851 -37.208 -8.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -17.127 -37.852 -6.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -18.002 -36.902 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -18.288 -38.573 -7.319 1.00 0.00 H new ATOM 1309 N GLY B 31 -16.655 -32.925 -11.840 1.00 0.00 N ATOM 1310 CA GLY B 31 -15.810 -31.751 -11.944 1.00 0.00 C ATOM 1311 C GLY B 31 -14.348 -32.063 -11.694 1.00 0.00 C ATOM 1312 O GLY B 31 -13.686 -31.381 -10.912 1.00 0.00 O ATOM 0 H GLY B 31 -16.939 -33.328 -12.733 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -15.920 -31.315 -12.937 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -16.146 -31.001 -11.228 1.00 0.00 H new ATOM 1316 N CYS B 32 -13.842 -33.091 -12.367 1.00 0.00 N ATOM 1317 CA CYS B 32 -12.443 -33.479 -12.232 1.00 0.00 C ATOM 1318 C CYS B 32 -11.763 -33.550 -13.595 1.00 0.00 C ATOM 1319 O CYS B 32 -12.427 -33.537 -14.632 1.00 0.00 O ATOM 1320 CB CYS B 32 -12.332 -34.832 -11.526 1.00 0.00 C ATOM 1321 SG CYS B 32 -12.980 -34.842 -9.823 1.00 0.00 S ATOM 0 H CYS B 32 -14.380 -33.670 -13.011 1.00 0.00 H new ATOM 0 HA CYS B 32 -11.940 -32.720 -11.633 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -12.868 -35.579 -12.111 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -11.285 -35.134 -11.506 1.00 0.00 H new ATOM 1326 N CYS B 33 -10.437 -33.629 -13.584 1.00 0.00 N ATOM 1327 CA CYS B 33 -9.668 -33.720 -14.820 1.00 0.00 C ATOM 1328 C CYS B 33 -9.775 -35.117 -15.425 1.00 0.00 C ATOM 1329 O CYS B 33 -9.919 -36.106 -14.706 1.00 0.00 O ATOM 1330 CB CYS B 33 -8.200 -33.380 -14.558 1.00 0.00 C ATOM 1331 SG CYS B 33 -7.926 -31.696 -13.921 1.00 0.00 S ATOM 0 H CYS B 33 -9.873 -33.632 -12.734 1.00 0.00 H new ATOM 0 HA CYS B 33 -10.081 -33.002 -15.529 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -7.794 -34.097 -13.844 1.00 0.00 H new ATOM 0 HB3 CYS B 33 -7.640 -33.501 -15.485 1.00 0.00 H new ATOM 1336 N PHE B 34 -9.695 -35.190 -16.749 1.00 0.00 N ATOM 1337 CA PHE B 34 -9.762 -36.469 -17.448 1.00 0.00 C ATOM 1338 C PHE B 34 -8.570 -36.639 -18.384 1.00 0.00 C ATOM 1339 O PHE B 34 -8.296 -35.778 -19.220 1.00 0.00 O ATOM 1340 CB PHE B 34 -11.066 -36.574 -18.240 1.00 0.00 C ATOM 1341 CG PHE B 34 -11.211 -37.871 -18.983 1.00 0.00 C ATOM 1342 CD1 PHE B 34 -11.761 -38.982 -18.365 1.00 0.00 C ATOM 1343 CD2 PHE B 34 -10.798 -37.978 -20.302 1.00 0.00 C ATOM 1344 CE1 PHE B 34 -11.896 -40.176 -19.047 1.00 0.00 C ATOM 1345 CE2 PHE B 34 -10.930 -39.170 -20.989 1.00 0.00 C ATOM 1346 CZ PHE B 34 -11.479 -40.270 -20.361 1.00 0.00 C ATOM 0 H PHE B 34 -9.584 -34.380 -17.359 1.00 0.00 H new ATOM 0 HA PHE B 34 -9.733 -37.264 -16.703 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -11.907 -36.460 -17.557 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -11.118 -35.749 -18.951 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -12.088 -38.914 -17.338 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -10.368 -37.120 -20.798 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -12.327 -41.035 -18.554 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -10.604 -39.241 -22.016 1.00 0.00 H new ATOM 0 HZ PHE B 34 -11.582 -41.203 -20.896 1.00 0.00 H new ATOM 1356 N ASP B 35 -7.866 -37.757 -18.239 1.00 0.00 N ATOM 1357 CA ASP B 35 -6.708 -38.046 -19.076 1.00 0.00 C ATOM 1358 C ASP B 35 -6.536 -39.548 -19.269 1.00 0.00 C ATOM 1359 O ASP B 35 -5.720 -40.182 -18.599 1.00 0.00 O ATOM 1360 CB ASP B 35 -5.442 -37.452 -18.455 1.00 0.00 C ATOM 1361 CG ASP B 35 -4.206 -37.721 -19.292 1.00 0.00 C ATOM 1362 OD1 ASP B 35 -3.555 -38.763 -19.071 1.00 0.00 O ATOM 1363 OD2 ASP B 35 -3.890 -36.889 -20.168 1.00 0.00 O ATOM 0 H ASP B 35 -8.078 -38.478 -17.549 1.00 0.00 H new ATOM 0 HA ASP B 35 -6.875 -37.590 -20.052 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -5.570 -36.376 -18.336 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -5.300 -37.869 -17.458 1.00 0.00 H new ATOM 1368 N ASP B 36 -7.310 -40.114 -20.189 1.00 0.00 N ATOM 1369 CA ASP B 36 -7.244 -41.543 -20.469 1.00 0.00 C ATOM 1370 C ASP B 36 -5.957 -41.892 -21.210 1.00 0.00 C ATOM 1371 O ASP B 36 -5.752 -43.038 -21.611 1.00 0.00 O ATOM 1372 CB ASP B 36 -8.456 -41.981 -21.293 1.00 0.00 C ATOM 1373 CG ASP B 36 -8.541 -41.260 -22.624 1.00 0.00 C ATOM 1374 OD1 ASP B 36 -8.079 -40.102 -22.702 1.00 0.00 O ATOM 1375 OD2 ASP B 36 -9.071 -41.852 -23.587 1.00 0.00 O ATOM 0 H ASP B 36 -7.990 -39.605 -20.753 1.00 0.00 H new ATOM 0 HA ASP B 36 -7.251 -42.075 -19.518 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.404 -43.056 -21.468 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.366 -41.794 -20.723 1.00 0.00 H new ATOM 1380 N THR B 37 -5.094 -40.898 -21.387 1.00 0.00 N ATOM 1381 CA THR B 37 -3.826 -41.100 -22.077 1.00 0.00 C ATOM 1382 C THR B 37 -2.829 -41.834 -21.187 1.00 0.00 C ATOM 1383 O THR B 37 -1.744 -42.211 -21.633 1.00 0.00 O ATOM 1384 CB THR B 37 -3.209 -39.761 -22.522 1.00 0.00 C ATOM 1385 OG1 THR B 37 -2.973 -38.926 -21.382 1.00 0.00 O ATOM 1386 CG2 THR B 37 -4.125 -39.041 -23.501 1.00 0.00 C ATOM 0 H THR B 37 -5.250 -39.944 -21.062 1.00 0.00 H new ATOM 0 HA THR B 37 -4.038 -41.705 -22.959 1.00 0.00 H new ATOM 0 HB THR B 37 -2.263 -39.972 -23.020 1.00 0.00 H new ATOM 0 HG1 THR B 37 -3.261 -39.392 -20.570 1.00 0.00 H new ATOM 0 HG21 THR B 37 -3.668 -38.098 -23.801 1.00 0.00 H new ATOM 0 HG22 THR B 37 -4.280 -39.665 -24.381 1.00 0.00 H new ATOM 0 HG23 THR B 37 -5.085 -38.843 -23.023 1.00 0.00 H new ATOM 1394 N VAL B 38 -3.202 -42.031 -19.928 1.00 0.00 N ATOM 1395 CA VAL B 38 -2.338 -42.716 -18.973 1.00 0.00 C ATOM 1396 C VAL B 38 -2.964 -44.025 -18.504 1.00 0.00 C ATOM 1397 O VAL B 38 -3.979 -44.025 -17.808 1.00 0.00 O ATOM 1398 CB VAL B 38 -2.045 -41.832 -17.746 1.00 0.00 C ATOM 1399 CG1 VAL B 38 -1.154 -42.568 -16.758 1.00 0.00 C ATOM 1400 CG2 VAL B 38 -1.408 -40.519 -18.174 1.00 0.00 C ATOM 0 H VAL B 38 -4.097 -41.726 -19.544 1.00 0.00 H new ATOM 0 HA VAL B 38 -1.403 -42.929 -19.490 1.00 0.00 H new ATOM 0 HB VAL B 38 -2.989 -41.607 -17.250 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -0.958 -41.928 -15.898 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -1.653 -43.479 -16.426 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -0.211 -42.826 -17.241 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -1.208 -39.908 -17.294 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -0.472 -40.721 -18.695 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -2.086 -39.986 -18.840 1.00 0.00 H new ATOM 1410 N ARG B 39 -2.349 -45.139 -18.887 1.00 0.00 N ATOM 1411 CA ARG B 39 -2.840 -46.455 -18.498 1.00 0.00 C ATOM 1412 C ARG B 39 -2.232 -46.891 -17.169 1.00 0.00 C ATOM 1413 O ARG B 39 -1.105 -46.522 -16.840 1.00 0.00 O ATOM 1414 CB ARG B 39 -2.516 -47.483 -19.583 1.00 0.00 C ATOM 1415 CG ARG B 39 -3.141 -47.164 -20.931 1.00 0.00 C ATOM 1416 CD ARG B 39 -2.782 -48.209 -21.975 1.00 0.00 C ATOM 1417 NE ARG B 39 -3.385 -47.917 -23.272 1.00 0.00 N ATOM 1418 CZ ARG B 39 -3.085 -48.573 -24.388 1.00 0.00 C ATOM 1419 NH1 ARG B 39 -2.191 -49.552 -24.363 1.00 0.00 N ATOM 1420 NH2 ARG B 39 -3.678 -48.250 -25.530 1.00 0.00 N ATOM 0 H ARG B 39 -1.510 -45.156 -19.466 1.00 0.00 H new ATOM 0 HA ARG B 39 -3.922 -46.392 -18.378 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -1.434 -47.547 -19.700 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -2.860 -48.464 -19.256 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -4.225 -47.110 -20.827 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -2.804 -46.183 -21.266 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -1.698 -48.257 -22.082 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -3.113 -49.190 -21.634 1.00 0.00 H new ATOM 0 HE ARG B 39 -4.075 -47.168 -23.325 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -1.733 -49.802 -23.487 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -1.961 -50.055 -25.220 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -4.366 -47.497 -25.552 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -3.446 -48.755 -26.386 1.00 0.00 H new ATOM 1434 N GLY B 40 -2.988 -47.675 -16.408 1.00 0.00 N ATOM 1435 CA GLY B 40 -2.510 -48.141 -15.119 1.00 0.00 C ATOM 1436 C GLY B 40 -3.136 -47.386 -13.963 1.00 0.00 C ATOM 1437 O GLY B 40 -3.430 -47.969 -12.919 1.00 0.00 O ATOM 0 H GLY B 40 -3.923 -47.996 -16.660 1.00 0.00 H new ATOM 0 HA2 GLY B 40 -2.729 -49.204 -15.016 1.00 0.00 H new ATOM 0 HA3 GLY B 40 -1.426 -48.033 -15.076 1.00 0.00 H new ATOM 1441 N VAL B 41 -3.342 -46.086 -14.150 1.00 0.00 N ATOM 1442 CA VAL B 41 -3.944 -45.252 -13.118 1.00 0.00 C ATOM 1443 C VAL B 41 -5.325 -44.765 -13.542 1.00 0.00 C ATOM 1444 O VAL B 41 -5.719 -44.914 -14.699 1.00 0.00 O ATOM 1445 CB VAL B 41 -3.062 -44.032 -12.794 1.00 0.00 C ATOM 1446 CG1 VAL B 41 -1.696 -44.477 -12.292 1.00 0.00 C ATOM 1447 CG2 VAL B 41 -2.923 -43.136 -14.015 1.00 0.00 C ATOM 0 H VAL B 41 -3.101 -45.588 -15.007 1.00 0.00 H new ATOM 0 HA VAL B 41 -4.036 -45.872 -12.226 1.00 0.00 H new ATOM 0 HB VAL B 41 -3.544 -43.458 -12.003 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -1.087 -43.601 -12.068 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -1.817 -45.075 -11.389 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -1.204 -45.075 -13.059 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -2.297 -42.279 -13.768 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -2.464 -43.698 -14.828 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -3.908 -42.788 -14.325 1.00 0.00 H new ATOM 1457 N PRO B 42 -6.075 -44.166 -12.605 1.00 0.00 N ATOM 1458 CA PRO B 42 -7.414 -43.637 -12.880 1.00 0.00 C ATOM 1459 C PRO B 42 -7.375 -42.410 -13.786 1.00 0.00 C ATOM 1460 O PRO B 42 -6.751 -41.402 -13.454 1.00 0.00 O ATOM 1461 CB PRO B 42 -7.942 -43.262 -11.493 1.00 0.00 C ATOM 1462 CG PRO B 42 -6.720 -43.014 -10.678 1.00 0.00 C ATOM 1463 CD PRO B 42 -5.672 -43.955 -11.203 1.00 0.00 C ATOM 0 HA PRO B 42 -8.038 -44.360 -13.405 1.00 0.00 H new ATOM 0 HB2 PRO B 42 -8.576 -42.376 -11.537 1.00 0.00 H new ATOM 0 HB3 PRO B 42 -8.545 -44.065 -11.068 1.00 0.00 H new ATOM 0 HG2 PRO B 42 -6.394 -41.978 -10.769 1.00 0.00 H new ATOM 0 HG3 PRO B 42 -6.913 -43.196 -9.621 1.00 0.00 H new ATOM 0 HD2 PRO B 42 -4.673 -43.524 -11.132 1.00 0.00 H new ATOM 0 HD3 PRO B 42 -5.656 -44.891 -10.644 1.00 0.00 H new ATOM 1471 N TRP B 43 -8.042 -42.504 -14.931 1.00 0.00 N ATOM 1472 CA TRP B 43 -8.075 -41.403 -15.887 1.00 0.00 C ATOM 1473 C TRP B 43 -8.734 -40.171 -15.276 1.00 0.00 C ATOM 1474 O TRP B 43 -8.230 -39.056 -15.409 1.00 0.00 O ATOM 1475 CB TRP B 43 -8.821 -41.822 -17.156 1.00 0.00 C ATOM 1476 CG TRP B 43 -8.191 -42.987 -17.857 1.00 0.00 C ATOM 1477 CD1 TRP B 43 -6.869 -43.330 -17.850 1.00 0.00 C ATOM 1478 CD2 TRP B 43 -8.855 -43.960 -18.670 1.00 0.00 C ATOM 1479 NE1 TRP B 43 -6.672 -44.459 -18.608 1.00 0.00 N ATOM 1480 CE2 TRP B 43 -7.876 -44.864 -19.123 1.00 0.00 C ATOM 1481 CE3 TRP B 43 -10.183 -44.155 -19.060 1.00 0.00 C ATOM 1482 CZ2 TRP B 43 -8.183 -45.946 -19.945 1.00 0.00 C ATOM 1483 CZ3 TRP B 43 -10.486 -45.229 -19.876 1.00 0.00 C ATOM 1484 CH2 TRP B 43 -9.491 -46.113 -20.310 1.00 0.00 C ATOM 0 H TRP B 43 -8.566 -43.330 -15.220 1.00 0.00 H new ATOM 0 HA TRP B 43 -7.047 -41.150 -16.147 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -9.849 -42.075 -16.898 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -8.864 -40.975 -17.840 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.093 -42.793 -17.326 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -5.776 -44.921 -18.762 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -10.958 -43.479 -18.730 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -7.416 -46.628 -20.282 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -11.509 -45.389 -20.184 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -9.761 -46.943 -20.946 1.00 0.00 H new ATOM 1495 N CYS B 44 -9.858 -40.381 -14.598 1.00 0.00 N ATOM 1496 CA CYS B 44 -10.567 -39.288 -13.942 1.00 0.00 C ATOM 1497 C CYS B 44 -10.011 -39.044 -12.544 1.00 0.00 C ATOM 1498 O CYS B 44 -10.021 -39.937 -11.697 1.00 0.00 O ATOM 1499 CB CYS B 44 -12.064 -39.596 -13.862 1.00 0.00 C ATOM 1500 SG CYS B 44 -13.048 -38.296 -13.050 1.00 0.00 S ATOM 0 H CYS B 44 -10.296 -41.295 -14.489 1.00 0.00 H new ATOM 0 HA CYS B 44 -10.422 -38.385 -14.536 1.00 0.00 H new ATOM 0 HB2 CYS B 44 -12.447 -39.750 -14.871 1.00 0.00 H new ATOM 0 HB3 CYS B 44 -12.203 -40.533 -13.322 1.00 0.00 H new ATOM 1505 N PHE B 45 -9.527 -37.830 -12.308 1.00 0.00 N ATOM 1506 CA PHE B 45 -8.965 -37.468 -11.013 1.00 0.00 C ATOM 1507 C PHE B 45 -9.190 -35.990 -10.718 1.00 0.00 C ATOM 1508 O PHE B 45 -9.474 -35.203 -11.620 1.00 0.00 O ATOM 1509 CB PHE B 45 -7.470 -37.787 -10.976 1.00 0.00 C ATOM 1510 CG PHE B 45 -6.677 -37.064 -12.027 1.00 0.00 C ATOM 1511 CD1 PHE B 45 -6.154 -35.805 -11.778 1.00 0.00 C ATOM 1512 CD2 PHE B 45 -6.454 -37.645 -13.266 1.00 0.00 C ATOM 1513 CE1 PHE B 45 -5.425 -35.140 -12.744 1.00 0.00 C ATOM 1514 CE2 PHE B 45 -5.726 -36.983 -14.236 1.00 0.00 C ATOM 1515 CZ PHE B 45 -5.211 -35.729 -13.974 1.00 0.00 C ATOM 0 H PHE B 45 -9.513 -37.079 -12.998 1.00 0.00 H new ATOM 0 HA PHE B 45 -9.473 -38.054 -10.247 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -7.076 -37.529 -9.993 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -7.332 -38.861 -11.103 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -6.318 -35.339 -10.818 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -6.854 -38.626 -13.475 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -5.022 -34.159 -12.537 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -5.560 -37.446 -15.198 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.641 -35.210 -14.730 1.00 0.00 H new ATOM 1525 N TYR B 46 -9.063 -35.619 -9.448 1.00 0.00 N ATOM 1526 CA TYR B 46 -9.256 -34.234 -9.036 1.00 0.00 C ATOM 1527 C TYR B 46 -8.135 -33.347 -9.566 1.00 0.00 C ATOM 1528 O TYR B 46 -7.034 -33.822 -9.848 1.00 0.00 O ATOM 1529 CB TYR B 46 -9.320 -34.138 -7.510 1.00 0.00 C ATOM 1530 CG TYR B 46 -10.463 -34.919 -6.901 1.00 0.00 C ATOM 1531 CD1 TYR B 46 -10.303 -36.249 -6.533 1.00 0.00 C ATOM 1532 CD2 TYR B 46 -11.702 -34.325 -6.696 1.00 0.00 C ATOM 1533 CE1 TYR B 46 -11.346 -36.965 -5.977 1.00 0.00 C ATOM 1534 CE2 TYR B 46 -12.749 -35.035 -6.140 1.00 0.00 C ATOM 1535 CZ TYR B 46 -12.567 -36.354 -5.782 1.00 0.00 C ATOM 1536 OH TYR B 46 -13.608 -37.064 -5.230 1.00 0.00 O ATOM 0 H TYR B 46 -8.828 -36.257 -8.688 1.00 0.00 H new ATOM 0 HA TYR B 46 -10.200 -33.885 -9.455 1.00 0.00 H new ATOM 0 HB2 TYR B 46 -8.381 -34.500 -7.092 1.00 0.00 H new ATOM 0 HB3 TYR B 46 -9.414 -33.090 -7.224 1.00 0.00 H new ATOM 0 HD1 TYR B 46 -9.348 -36.731 -6.684 1.00 0.00 H new ATOM 0 HD2 TYR B 46 -11.849 -33.292 -6.976 1.00 0.00 H new ATOM 0 HE1 TYR B 46 -11.206 -37.998 -5.696 1.00 0.00 H new ATOM 0 HE2 TYR B 46 -13.706 -34.559 -5.986 1.00 0.00 H new ATOM 0 HH TYR B 46 -14.397 -36.487 -5.160 1.00 0.00 H new ATOM 1546 N PRO B 47 -8.405 -32.042 -9.708 1.00 0.00 N ATOM 1547 CA PRO B 47 -7.418 -31.076 -10.204 1.00 0.00 C ATOM 1548 C PRO B 47 -6.210 -30.963 -9.282 1.00 0.00 C ATOM 1549 O PRO B 47 -6.076 -31.724 -8.323 1.00 0.00 O ATOM 1550 CB PRO B 47 -8.191 -29.752 -10.242 1.00 0.00 C ATOM 1551 CG PRO B 47 -9.340 -29.947 -9.313 1.00 0.00 C ATOM 1552 CD PRO B 47 -9.693 -31.404 -9.394 1.00 0.00 C ATOM 0 HA PRO B 47 -7.013 -31.370 -11.172 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -7.563 -28.920 -9.924 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -8.534 -29.525 -11.251 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -9.071 -29.667 -8.295 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -10.186 -29.324 -9.602 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -10.107 -31.771 -8.455 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -10.437 -31.596 -10.167 1.00 0.00 H new