USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 654 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 41 THR OG1 : rot 27:sc= 0.353 USER MOD Set 1.2: A 43 ASN : amide:sc= -2.29 K(o=-1.9,f=-4.4!) USER MOD Set 2.1: A 25 HIS : no HE2:sc= -4.93 K(o=-4.9,f=-7.2!) USER MOD Set 2.2: A 69 SER OG : rot 90:sc= 0.0569 USER MOD Single : A 10 TYR OH : rot 60:sc= -0.295 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc=-0.00424 USER MOD Single : A 19 LYS NZ :NH3+ -147:sc= 0.0233 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -129:sc= -4.13! USER MOD Single : A 33 MET CE :methyl -171:sc= 0 (180deg=-0.194) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0738) USER MOD Single : A 45 TYR OH : rot 150:sc= -0.0827 USER MOD Single : A 46 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.028) USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -130:sc= -2.94! USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= -0.389 (180deg=-1.32!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= -0.0145 (180deg=-0.179) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -3.92! K(o=-3.9!,f=-0.4) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -11! C(o=-11!,f=-7!) USER MOD Single : A 92 ASN : amide:sc= -0.109! C(o=-0.11!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 10 -5.699 4.854 9.882 1.00 0.00 N ATOM 157 CA TYR A 10 -5.360 4.994 8.475 1.00 0.00 C ATOM 158 C TYR A 10 -6.620 5.115 7.617 1.00 0.00 C ATOM 159 O TYR A 10 -7.535 4.300 7.732 1.00 0.00 O ATOM 160 CB TYR A 10 -4.616 3.713 8.091 1.00 0.00 C ATOM 161 CG TYR A 10 -5.536 2.541 7.740 1.00 0.00 C ATOM 162 CD1 TYR A 10 -6.186 1.850 8.743 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.715 2.176 6.422 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.051 0.747 8.413 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.581 1.073 6.091 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.206 0.413 7.103 1.00 0.00 C ATOM 167 OH TYR A 10 -8.023 -0.629 6.791 1.00 0.00 O ATOM 0 HA TYR A 10 -4.761 5.890 8.312 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.969 3.922 7.239 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.969 3.419 8.917 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.046 2.137 9.775 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.206 2.717 5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.565 0.197 9.188 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.730 0.777 5.063 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.930 -0.441 7.110 1.00 0.00 H new ATOM 177 N LYS A 11 -6.629 6.138 6.776 1.00 0.00 N ATOM 178 CA LYS A 11 -7.762 6.377 5.899 1.00 0.00 C ATOM 179 C LYS A 11 -7.259 6.586 4.468 1.00 0.00 C ATOM 180 O LYS A 11 -6.056 6.560 4.220 1.00 0.00 O ATOM 181 CB LYS A 11 -8.615 7.531 6.426 1.00 0.00 C ATOM 182 CG LYS A 11 -7.883 8.866 6.278 1.00 0.00 C ATOM 183 CD LYS A 11 -8.872 10.020 6.103 1.00 0.00 C ATOM 184 CE LYS A 11 -9.441 10.044 4.684 1.00 0.00 C ATOM 185 NZ LYS A 11 -8.901 11.197 3.929 1.00 0.00 N ATOM 0 H LYS A 11 -5.869 6.812 6.683 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.420 5.508 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.559 7.568 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.857 7.359 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.264 9.044 7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.213 8.824 5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.684 9.920 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.374 10.966 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.191 9.116 4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.529 10.104 4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.297 11.199 2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.161 12.081 4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.865 11.123 3.876 1.00 0.00 H new ATOM 199 N CYS A 12 -8.208 6.790 3.566 1.00 0.00 N ATOM 200 CA CYS A 12 -7.876 7.004 2.167 1.00 0.00 C ATOM 201 C CYS A 12 -6.722 8.005 2.094 1.00 0.00 C ATOM 202 O CYS A 12 -6.663 8.948 2.882 1.00 0.00 O ATOM 203 CB CYS A 12 -9.090 7.474 1.364 1.00 0.00 C ATOM 204 SG CYS A 12 -8.738 7.356 -0.429 1.00 0.00 S ATOM 0 H CYS A 12 -9.206 6.812 3.776 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.566 6.061 1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.959 6.865 1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.335 8.503 1.628 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.776 7.755 -1.102 1.00 0.00 H new ATOM 210 N GLY A 13 -5.831 7.766 1.143 1.00 0.00 N ATOM 211 CA GLY A 13 -4.681 8.635 0.958 1.00 0.00 C ATOM 212 C GLY A 13 -3.497 8.164 1.804 1.00 0.00 C ATOM 213 O GLY A 13 -2.444 8.799 1.812 1.00 0.00 O ATOM 0 H GLY A 13 -5.882 6.983 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.398 8.650 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.945 9.657 1.232 1.00 0.00 H new ATOM 217 N ASP A 14 -3.709 7.054 2.497 1.00 0.00 N ATOM 218 CA ASP A 14 -2.672 6.492 3.345 1.00 0.00 C ATOM 219 C ASP A 14 -1.928 5.398 2.575 1.00 0.00 C ATOM 220 O ASP A 14 -2.521 4.700 1.753 1.00 0.00 O ATOM 221 CB ASP A 14 -3.272 5.860 4.602 1.00 0.00 C ATOM 222 CG ASP A 14 -2.331 4.926 5.367 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.373 5.454 5.971 1.00 0.00 O ATOM 224 OD2 ASP A 14 -2.593 3.704 5.332 1.00 0.00 O ATOM 0 H ASP A 14 -4.584 6.529 2.488 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.997 7.298 3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.594 6.656 5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.164 5.301 4.319 1.00 0.00 H new ATOM 229 N LEU A 15 -0.641 5.283 2.868 1.00 0.00 N ATOM 230 CA LEU A 15 0.190 4.286 2.214 1.00 0.00 C ATOM 231 C LEU A 15 0.822 3.382 3.273 1.00 0.00 C ATOM 232 O LEU A 15 1.228 3.852 4.335 1.00 0.00 O ATOM 233 CB LEU A 15 1.209 4.961 1.293 1.00 0.00 C ATOM 234 CG LEU A 15 2.369 4.082 0.820 1.00 0.00 C ATOM 235 CD1 LEU A 15 1.872 2.695 0.406 1.00 0.00 C ATOM 236 CD2 LEU A 15 3.154 4.766 -0.302 1.00 0.00 C ATOM 0 H LEU A 15 -0.153 5.864 3.550 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.414 3.648 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.683 5.338 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.622 5.826 1.812 1.00 0.00 H new ATOM 0 HG LEU A 15 3.055 3.944 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.716 2.090 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.392 2.212 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.154 2.794 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.972 4.120 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.492 4.954 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.558 5.711 0.060 1.00 0.00 H new ATOM 248 N VAL A 16 0.886 2.099 2.946 1.00 0.00 N ATOM 249 CA VAL A 16 1.462 1.123 3.857 1.00 0.00 C ATOM 250 C VAL A 16 1.827 -0.141 3.077 1.00 0.00 C ATOM 251 O VAL A 16 1.633 -0.205 1.864 1.00 0.00 O ATOM 252 CB VAL A 16 0.498 0.854 5.013 1.00 0.00 C ATOM 253 CG1 VAL A 16 -0.137 -0.532 4.888 1.00 0.00 C ATOM 254 CG2 VAL A 16 1.202 1.014 6.362 1.00 0.00 C ATOM 0 H VAL A 16 0.549 1.713 2.064 1.00 0.00 H new ATOM 0 HA VAL A 16 2.380 1.509 4.300 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.301 1.594 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.818 -0.697 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.690 -0.596 3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.644 -1.292 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.494 0.817 7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.030 0.308 6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.584 2.031 6.455 1.00 0.00 H new ATOM 264 N PHE A 17 2.353 -1.116 3.806 1.00 0.00 N ATOM 265 CA PHE A 17 2.748 -2.375 3.197 1.00 0.00 C ATOM 266 C PHE A 17 1.586 -3.371 3.197 1.00 0.00 C ATOM 267 O PHE A 17 1.080 -3.740 4.256 1.00 0.00 O ATOM 268 CB PHE A 17 3.891 -2.941 4.041 1.00 0.00 C ATOM 269 CG PHE A 17 5.129 -2.044 4.094 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.950 -1.955 3.013 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.408 -1.335 5.220 1.00 0.00 C ATOM 272 CE1 PHE A 17 7.101 -1.123 3.062 1.00 0.00 C ATOM 273 CE2 PHE A 17 6.558 -0.503 5.269 1.00 0.00 C ATOM 274 CZ PHE A 17 7.379 -0.414 4.188 1.00 0.00 C ATOM 0 H PHE A 17 2.514 -1.059 4.812 1.00 0.00 H new ATOM 0 HA PHE A 17 3.050 -2.210 2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.531 -3.107 5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.177 -3.914 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.727 -2.517 2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.755 -1.404 6.077 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.755 -1.054 2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.781 0.059 6.164 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.252 0.220 4.224 1.00 0.00 H new ATOM 284 N ALA A 18 1.201 -3.781 1.998 1.00 0.00 N ATOM 285 CA ALA A 18 0.109 -4.728 1.846 1.00 0.00 C ATOM 286 C ALA A 18 0.682 -6.138 1.675 1.00 0.00 C ATOM 287 O ALA A 18 1.820 -6.299 1.235 1.00 0.00 O ATOM 288 CB ALA A 18 -0.770 -4.309 0.667 1.00 0.00 C ATOM 0 H ALA A 18 1.625 -3.475 1.122 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.521 -4.734 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.589 -5.019 0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.176 -3.314 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.173 -4.294 -0.245 1.00 0.00 H new ATOM 294 N LYS A 19 -0.133 -7.120 2.028 1.00 0.00 N ATOM 295 CA LYS A 19 0.280 -8.509 1.918 1.00 0.00 C ATOM 296 C LYS A 19 -0.927 -9.364 1.523 1.00 0.00 C ATOM 297 O LYS A 19 -1.956 -9.341 2.196 1.00 0.00 O ATOM 298 CB LYS A 19 0.963 -8.970 3.208 1.00 0.00 C ATOM 299 CG LYS A 19 1.755 -10.258 2.979 1.00 0.00 C ATOM 300 CD LYS A 19 3.241 -10.048 3.274 1.00 0.00 C ATOM 301 CE LYS A 19 4.036 -11.332 3.024 1.00 0.00 C ATOM 302 NZ LYS A 19 5.017 -11.553 4.110 1.00 0.00 N ATOM 0 H LYS A 19 -1.077 -6.982 2.390 1.00 0.00 H new ATOM 0 HA LYS A 19 1.026 -8.623 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.631 -8.188 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.213 -9.133 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.362 -11.049 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.628 -10.588 1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.630 -9.247 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.369 -9.732 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.356 -12.182 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.553 -11.266 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.864 -12.016 3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.283 -10.639 4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.594 -12.159 4.842 1.00 0.00 H new ATOM 316 N MET A 20 -0.759 -10.099 0.434 1.00 0.00 N ATOM 317 CA MET A 20 -1.820 -10.960 -0.059 1.00 0.00 C ATOM 318 C MET A 20 -1.274 -12.334 -0.454 1.00 0.00 C ATOM 319 O MET A 20 -0.063 -12.513 -0.572 1.00 0.00 O ATOM 320 CB MET A 20 -2.487 -10.307 -1.271 1.00 0.00 C ATOM 321 CG MET A 20 -3.928 -10.793 -1.434 1.00 0.00 C ATOM 322 SD MET A 20 -4.855 -9.634 -2.425 1.00 0.00 S ATOM 323 CE MET A 20 -4.265 -10.074 -4.051 1.00 0.00 C ATOM 0 H MET A 20 0.097 -10.116 -0.121 1.00 0.00 H new ATOM 0 HA MET A 20 -2.550 -11.097 0.738 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.476 -9.223 -1.156 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.918 -10.538 -2.172 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.938 -11.776 -1.905 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.396 -10.903 -0.456 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.747 -9.441 -4.796 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.185 -9.931 -4.097 1.00 0.00 H new ATOM 0 HE3 MET A 20 -4.502 -11.118 -4.254 1.00 0.00 H new ATOM 333 N LYS A 21 -2.194 -13.267 -0.648 1.00 0.00 N ATOM 334 CA LYS A 21 -1.819 -14.619 -1.027 1.00 0.00 C ATOM 335 C LYS A 21 -0.963 -14.570 -2.294 1.00 0.00 C ATOM 336 O LYS A 21 -1.287 -13.854 -3.241 1.00 0.00 O ATOM 337 CB LYS A 21 -3.061 -15.502 -1.160 1.00 0.00 C ATOM 338 CG LYS A 21 -2.713 -16.848 -1.797 1.00 0.00 C ATOM 339 CD LYS A 21 -3.880 -17.831 -1.681 1.00 0.00 C ATOM 340 CE LYS A 21 -4.239 -18.419 -3.046 1.00 0.00 C ATOM 341 NZ LYS A 21 -5.278 -17.602 -3.708 1.00 0.00 N ATOM 0 H LYS A 21 -3.198 -13.114 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.211 -15.078 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.503 -15.665 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.810 -14.992 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.459 -16.702 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.831 -17.266 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.616 -18.634 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.748 -17.323 -1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.349 -18.464 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.596 -19.442 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.509 -18.017 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.132 -17.581 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.925 -16.633 -3.841 1.00 0.00 H new ATOM 355 N GLY A 22 0.116 -15.339 -2.270 1.00 0.00 N ATOM 356 CA GLY A 22 1.023 -15.391 -3.405 1.00 0.00 C ATOM 357 C GLY A 22 1.625 -14.014 -3.691 1.00 0.00 C ATOM 358 O GLY A 22 2.260 -13.812 -4.725 1.00 0.00 O ATOM 0 H GLY A 22 0.383 -15.931 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.821 -16.106 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.489 -15.748 -4.286 1.00 0.00 H new ATOM 362 N TYR A 23 1.402 -13.101 -2.756 1.00 0.00 N ATOM 363 CA TYR A 23 1.915 -11.749 -2.895 1.00 0.00 C ATOM 364 C TYR A 23 2.687 -11.324 -1.645 1.00 0.00 C ATOM 365 O TYR A 23 2.113 -11.218 -0.561 1.00 0.00 O ATOM 366 CB TYR A 23 0.688 -10.847 -3.053 1.00 0.00 C ATOM 367 CG TYR A 23 0.999 -9.353 -2.964 1.00 0.00 C ATOM 368 CD1 TYR A 23 2.021 -8.814 -3.720 1.00 0.00 C ATOM 369 CD2 TYR A 23 0.258 -8.542 -2.128 1.00 0.00 C ATOM 370 CE1 TYR A 23 2.313 -7.406 -3.637 1.00 0.00 C ATOM 371 CE2 TYR A 23 0.550 -7.133 -2.046 1.00 0.00 C ATOM 372 CZ TYR A 23 1.563 -6.635 -2.804 1.00 0.00 C ATOM 373 OH TYR A 23 1.840 -5.306 -2.724 1.00 0.00 O ATOM 0 H TYR A 23 0.874 -13.271 -1.900 1.00 0.00 H new ATOM 0 HA TYR A 23 2.596 -11.682 -3.744 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.220 -11.053 -4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.040 -11.103 -2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.601 -9.448 -4.374 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.541 -8.963 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.110 -6.972 -4.223 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.023 -6.487 -1.397 1.00 0.00 H new ATOM 0 HH TYR A 23 1.938 -5.048 -1.784 1.00 0.00 H new ATOM 383 N PRO A 24 4.012 -11.087 -1.842 1.00 0.00 N ATOM 384 CA PRO A 24 4.869 -10.675 -0.742 1.00 0.00 C ATOM 385 C PRO A 24 4.625 -9.211 -0.375 1.00 0.00 C ATOM 386 O PRO A 24 4.140 -8.433 -1.195 1.00 0.00 O ATOM 387 CB PRO A 24 6.285 -10.939 -1.229 1.00 0.00 C ATOM 388 CG PRO A 24 6.192 -11.047 -2.742 1.00 0.00 C ATOM 389 CD PRO A 24 4.726 -11.201 -3.109 1.00 0.00 C ATOM 0 HA PRO A 24 4.669 -11.225 0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.956 -10.132 -0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.682 -11.857 -0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.613 -10.159 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.767 -11.901 -3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.411 -10.430 -3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.536 -12.163 -3.585 1.00 0.00 H new ATOM 397 N HIS A 25 4.974 -8.878 0.859 1.00 0.00 N ATOM 398 CA HIS A 25 4.799 -7.520 1.347 1.00 0.00 C ATOM 399 C HIS A 25 5.340 -6.531 0.313 1.00 0.00 C ATOM 400 O HIS A 25 6.531 -6.537 0.006 1.00 0.00 O ATOM 401 CB HIS A 25 5.442 -7.349 2.724 1.00 0.00 C ATOM 402 CG HIS A 25 4.465 -6.990 3.818 1.00 0.00 C ATOM 403 ND1 HIS A 25 3.237 -6.406 3.565 1.00 0.00 N ATOM 404 CD2 HIS A 25 4.548 -7.143 5.172 1.00 0.00 C ATOM 405 CE1 HIS A 25 2.617 -6.217 4.721 1.00 0.00 C ATOM 406 NE2 HIS A 25 3.432 -6.674 5.715 1.00 0.00 N ATOM 0 H HIS A 25 5.377 -9.525 1.536 1.00 0.00 H new ATOM 0 HA HIS A 25 3.737 -7.311 1.479 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.950 -8.275 2.994 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.205 -6.573 2.663 1.00 0.00 H new ATOM 0 HD1 HIS A 25 2.871 -6.162 2.645 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.380 -7.573 5.710 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.639 -5.778 4.853 1.00 0.00 H new ATOM 414 N TRP A 26 4.438 -5.704 -0.197 1.00 0.00 N ATOM 415 CA TRP A 26 4.809 -4.711 -1.191 1.00 0.00 C ATOM 416 C TRP A 26 4.158 -3.383 -0.798 1.00 0.00 C ATOM 417 O TRP A 26 3.186 -3.363 -0.045 1.00 0.00 O ATOM 418 CB TRP A 26 4.426 -5.173 -2.598 1.00 0.00 C ATOM 419 CG TRP A 26 5.614 -5.321 -3.550 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.942 -4.538 -4.587 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.624 -6.350 -3.510 1.00 0.00 C ATOM 422 NE1 TRP A 26 7.086 -4.986 -5.215 1.00 0.00 N ATOM 423 CE2 TRP A 26 7.514 -6.123 -4.540 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.781 -7.439 -2.632 1.00 0.00 C ATOM 425 CZ2 TRP A 26 8.622 -6.941 -4.790 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.894 -8.246 -2.894 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.798 -8.030 -3.928 1.00 0.00 C ATOM 0 H TRP A 26 3.451 -5.702 0.060 1.00 0.00 H new ATOM 0 HA TRP A 26 5.890 -4.574 -1.215 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.909 -6.130 -2.527 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.719 -4.460 -3.023 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.382 -3.667 -4.892 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.535 -4.561 -6.026 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.097 -7.636 -1.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.304 -6.743 -5.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.062 -9.095 -2.248 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.634 -8.700 -4.066 1.00 0.00 H new ATOM 438 N PRO A 27 4.734 -2.279 -1.341 1.00 0.00 N ATOM 439 CA PRO A 27 4.220 -0.949 -1.057 1.00 0.00 C ATOM 440 C PRO A 27 2.919 -0.689 -1.820 1.00 0.00 C ATOM 441 O PRO A 27 2.945 -0.395 -3.014 1.00 0.00 O ATOM 442 CB PRO A 27 5.341 0.000 -1.452 1.00 0.00 C ATOM 443 CG PRO A 27 6.255 -0.795 -2.370 1.00 0.00 C ATOM 444 CD PRO A 27 5.885 -2.262 -2.238 1.00 0.00 C ATOM 0 HA PRO A 27 3.955 -0.816 -0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.947 0.880 -1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.881 0.354 -0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.141 -0.464 -3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.299 -0.639 -2.098 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.637 -2.696 -3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.712 -2.843 -1.831 1.00 0.00 H new ATOM 452 N ALA A 28 1.814 -0.806 -1.099 1.00 0.00 N ATOM 453 CA ALA A 28 0.507 -0.586 -1.694 1.00 0.00 C ATOM 454 C ALA A 28 -0.181 0.582 -0.987 1.00 0.00 C ATOM 455 O ALA A 28 -0.096 0.710 0.234 1.00 0.00 O ATOM 456 CB ALA A 28 -0.313 -1.877 -1.617 1.00 0.00 C ATOM 0 H ALA A 28 1.797 -1.050 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 28 0.605 -0.323 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.294 -1.712 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.204 -2.669 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.434 -2.170 -0.574 1.00 0.00 H new ATOM 462 N ARG A 29 -0.845 1.406 -1.784 1.00 0.00 N ATOM 463 CA ARG A 29 -1.547 2.561 -1.250 1.00 0.00 C ATOM 464 C ARG A 29 -3.023 2.228 -1.025 1.00 0.00 C ATOM 465 O ARG A 29 -3.644 1.556 -1.847 1.00 0.00 O ATOM 466 CB ARG A 29 -1.441 3.757 -2.197 1.00 0.00 C ATOM 467 CG ARG A 29 -2.239 4.949 -1.667 1.00 0.00 C ATOM 468 CD ARG A 29 -1.767 6.256 -2.311 1.00 0.00 C ATOM 469 NE ARG A 29 -2.920 6.975 -2.898 1.00 0.00 N ATOM 470 CZ ARG A 29 -3.535 6.613 -4.032 1.00 0.00 C ATOM 471 NH1 ARG A 29 -3.111 5.536 -4.708 1.00 0.00 N ATOM 472 NH2 ARG A 29 -4.572 7.326 -4.490 1.00 0.00 N ATOM 0 H ARG A 29 -0.912 1.297 -2.796 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.080 2.822 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.395 4.039 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.810 3.478 -3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.299 4.801 -1.871 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.129 5.012 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.278 6.883 -1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.028 6.044 -3.084 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.269 7.799 -2.408 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.321 4.993 -4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.578 5.259 -5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.894 8.146 -3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.039 7.049 -5.353 1.00 0.00 H new ATOM 486 N ILE A 30 -3.542 2.713 0.094 1.00 0.00 N ATOM 487 CA ILE A 30 -4.934 2.474 0.438 1.00 0.00 C ATOM 488 C ILE A 30 -5.834 3.178 -0.579 1.00 0.00 C ATOM 489 O ILE A 30 -5.477 4.232 -1.104 1.00 0.00 O ATOM 490 CB ILE A 30 -5.206 2.885 1.886 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.954 1.782 2.638 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.943 4.224 1.949 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.464 1.886 2.403 1.00 0.00 C ATOM 0 H ILE A 30 -3.024 3.270 0.774 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.162 1.409 0.384 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.248 3.023 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.597 0.806 2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.742 1.856 3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.123 4.491 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.336 4.996 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.896 4.140 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.973 1.091 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.821 2.854 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.674 1.788 1.338 1.00 0.00 H new ATOM 505 N ASP A 31 -6.983 2.568 -0.827 1.00 0.00 N ATOM 506 CA ASP A 31 -7.937 3.123 -1.772 1.00 0.00 C ATOM 507 C ASP A 31 -9.351 2.692 -1.377 1.00 0.00 C ATOM 508 O ASP A 31 -9.548 1.589 -0.867 1.00 0.00 O ATOM 509 CB ASP A 31 -7.666 2.615 -3.189 1.00 0.00 C ATOM 510 CG ASP A 31 -6.578 3.374 -3.952 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.426 3.350 -3.468 1.00 0.00 O ATOM 512 OD2 ASP A 31 -6.923 3.960 -4.999 1.00 0.00 O ATOM 0 H ASP A 31 -7.275 1.694 -0.390 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.839 4.208 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.384 1.564 -3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.593 2.667 -3.761 1.00 0.00 H new ATOM 517 N GLU A 32 -10.299 3.582 -1.626 1.00 0.00 N ATOM 518 CA GLU A 32 -11.688 3.307 -1.302 1.00 0.00 C ATOM 519 C GLU A 32 -12.386 2.636 -2.487 1.00 0.00 C ATOM 520 O GLU A 32 -11.996 2.836 -3.636 1.00 0.00 O ATOM 521 CB GLU A 32 -12.419 4.586 -0.888 1.00 0.00 C ATOM 522 CG GLU A 32 -13.009 4.451 0.516 1.00 0.00 C ATOM 523 CD GLU A 32 -14.122 5.476 0.745 1.00 0.00 C ATOM 524 OE1 GLU A 32 -15.171 5.331 0.083 1.00 0.00 O ATOM 525 OE2 GLU A 32 -13.897 6.381 1.577 1.00 0.00 O ATOM 0 H GLU A 32 -10.133 4.495 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.714 2.623 -0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.729 5.429 -0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.215 4.801 -1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.403 3.444 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.224 4.590 1.259 1.00 0.00 H new ATOM 532 N MET A 33 -13.406 1.854 -2.166 1.00 0.00 N ATOM 533 CA MET A 33 -14.163 1.152 -3.189 1.00 0.00 C ATOM 534 C MET A 33 -15.068 2.114 -3.959 1.00 0.00 C ATOM 535 O MET A 33 -15.947 2.747 -3.376 1.00 0.00 O ATOM 536 CB MET A 33 -15.014 0.060 -2.537 1.00 0.00 C ATOM 537 CG MET A 33 -16.002 0.662 -1.535 1.00 0.00 C ATOM 538 SD MET A 33 -17.673 0.460 -2.129 1.00 0.00 S ATOM 539 CE MET A 33 -18.443 1.884 -1.375 1.00 0.00 C ATOM 0 H MET A 33 -13.726 1.691 -1.211 1.00 0.00 H new ATOM 0 HA MET A 33 -13.460 0.705 -3.891 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.558 -0.489 -3.305 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.367 -0.656 -2.030 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.891 0.176 -0.566 1.00 0.00 H new ATOM 0 HG3 MET A 33 -15.785 1.720 -1.388 1.00 0.00 H new ATOM 0 HE1 MET A 33 -19.523 1.827 -1.510 1.00 0.00 H new ATOM 0 HE2 MET A 33 -18.210 1.902 -0.310 1.00 0.00 H new ATOM 0 HE3 MET A 33 -18.066 2.793 -1.844 1.00 0.00 H new ATOM 549 N PRO A 34 -14.816 2.198 -5.293 1.00 0.00 N ATOM 550 CA PRO A 34 -15.598 3.073 -6.148 1.00 0.00 C ATOM 551 C PRO A 34 -16.985 2.485 -6.413 1.00 0.00 C ATOM 552 O PRO A 34 -17.253 1.336 -6.064 1.00 0.00 O ATOM 553 CB PRO A 34 -14.768 3.230 -7.413 1.00 0.00 C ATOM 554 CG PRO A 34 -13.782 2.076 -7.410 1.00 0.00 C ATOM 555 CD PRO A 34 -13.784 1.464 -6.019 1.00 0.00 C ATOM 0 HA PRO A 34 -15.793 4.043 -5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.400 3.201 -8.301 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.248 4.188 -7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.064 1.332 -8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.784 2.427 -7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.008 0.398 -6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.811 1.569 -5.539 1.00 0.00 H new ATOM 563 N GLU A 35 -17.831 3.300 -7.029 1.00 0.00 N ATOM 564 CA GLU A 35 -19.184 2.874 -7.343 1.00 0.00 C ATOM 565 C GLU A 35 -19.641 3.491 -8.667 1.00 0.00 C ATOM 566 O GLU A 35 -20.828 3.739 -8.864 1.00 0.00 O ATOM 567 CB GLU A 35 -20.148 3.232 -6.210 1.00 0.00 C ATOM 568 CG GLU A 35 -19.964 4.685 -5.771 1.00 0.00 C ATOM 569 CD GLU A 35 -20.929 5.044 -4.640 1.00 0.00 C ATOM 570 OE1 GLU A 35 -20.708 4.529 -3.522 1.00 0.00 O ATOM 571 OE2 GLU A 35 -21.865 5.824 -4.917 1.00 0.00 O ATOM 0 H GLU A 35 -17.605 4.252 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.187 1.789 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.175 3.075 -6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -19.980 2.568 -5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -18.937 4.841 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.130 5.349 -6.620 1.00 0.00 H new ATOM 578 N ALA A 36 -18.671 3.720 -9.541 1.00 0.00 N ATOM 579 CA ALA A 36 -18.957 4.302 -10.840 1.00 0.00 C ATOM 580 C ALA A 36 -19.106 3.185 -11.874 1.00 0.00 C ATOM 581 O ALA A 36 -20.161 3.039 -12.489 1.00 0.00 O ATOM 582 CB ALA A 36 -17.852 5.294 -11.210 1.00 0.00 C ATOM 0 H ALA A 36 -17.686 3.513 -9.374 1.00 0.00 H new ATOM 0 HA ALA A 36 -19.896 4.854 -10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -18.067 5.731 -12.185 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -17.806 6.084 -10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.895 4.775 -11.248 1.00 0.00 H new ATOM 588 N ALA A 37 -18.033 2.423 -12.034 1.00 0.00 N ATOM 589 CA ALA A 37 -18.031 1.322 -12.982 1.00 0.00 C ATOM 590 C ALA A 37 -19.083 0.293 -12.566 1.00 0.00 C ATOM 591 O ALA A 37 -20.008 0.002 -13.324 1.00 0.00 O ATOM 592 CB ALA A 37 -16.627 0.721 -13.062 1.00 0.00 C ATOM 0 H ALA A 37 -17.159 2.547 -11.523 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.293 1.674 -13.980 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.625 -0.105 -13.773 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.922 1.485 -13.391 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.332 0.354 -12.079 1.00 0.00 H new ATOM 598 N VAL A 38 -18.910 -0.229 -11.360 1.00 0.00 N ATOM 599 CA VAL A 38 -19.834 -1.220 -10.833 1.00 0.00 C ATOM 600 C VAL A 38 -20.240 -0.827 -9.411 1.00 0.00 C ATOM 601 O VAL A 38 -19.748 0.166 -8.874 1.00 0.00 O ATOM 602 CB VAL A 38 -19.207 -2.613 -10.913 1.00 0.00 C ATOM 603 CG1 VAL A 38 -19.012 -3.044 -12.369 1.00 0.00 C ATOM 604 CG2 VAL A 38 -17.888 -2.667 -10.143 1.00 0.00 C ATOM 0 H VAL A 38 -18.144 0.016 -10.733 1.00 0.00 H new ATOM 0 HA VAL A 38 -20.744 -1.252 -11.433 1.00 0.00 H new ATOM 0 HB VAL A 38 -19.895 -3.317 -10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -18.565 -4.038 -12.398 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -19.978 -3.066 -12.874 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.355 -2.336 -12.873 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -17.464 -3.669 -10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.189 -1.945 -10.567 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -18.068 -2.425 -9.095 1.00 0.00 H new ATOM 614 N LYS A 39 -21.130 -1.625 -8.842 1.00 0.00 N ATOM 615 CA LYS A 39 -21.607 -1.374 -7.492 1.00 0.00 C ATOM 616 C LYS A 39 -21.000 -2.407 -6.541 1.00 0.00 C ATOM 617 O LYS A 39 -21.127 -3.611 -6.763 1.00 0.00 O ATOM 618 CB LYS A 39 -23.136 -1.334 -7.462 1.00 0.00 C ATOM 619 CG LYS A 39 -23.670 -0.169 -8.299 1.00 0.00 C ATOM 620 CD LYS A 39 -24.760 -0.641 -9.264 1.00 0.00 C ATOM 621 CE LYS A 39 -24.321 -0.461 -10.717 1.00 0.00 C ATOM 622 NZ LYS A 39 -25.174 -1.267 -11.620 1.00 0.00 N ATOM 0 H LYS A 39 -21.534 -2.447 -9.291 1.00 0.00 H new ATOM 0 HA LYS A 39 -21.279 -0.393 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -23.536 -2.274 -7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -23.481 -1.235 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -24.071 0.602 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -22.853 0.284 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -24.987 -1.690 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -25.677 -0.079 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -24.381 0.592 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -23.279 -0.761 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -24.862 -1.133 -12.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -25.096 -2.272 -11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -26.164 -0.962 -11.526 1.00 0.00 H new ATOM 636 N SER A 40 -20.353 -1.901 -5.502 1.00 0.00 N ATOM 637 CA SER A 40 -19.727 -2.765 -4.516 1.00 0.00 C ATOM 638 C SER A 40 -20.369 -2.546 -3.145 1.00 0.00 C ATOM 639 O SER A 40 -21.168 -1.627 -2.969 1.00 0.00 O ATOM 640 CB SER A 40 -18.219 -2.514 -4.441 1.00 0.00 C ATOM 641 OG SER A 40 -17.467 -3.676 -4.779 1.00 0.00 O ATOM 0 H SER A 40 -20.249 -0.903 -5.321 1.00 0.00 H new ATOM 0 HA SER A 40 -19.881 -3.800 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.953 -1.701 -5.116 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.955 -2.191 -3.434 1.00 0.00 H new ATOM 0 HG SER A 40 -16.510 -3.474 -4.721 1.00 0.00 H new ATOM 647 N THR A 41 -19.998 -3.408 -2.209 1.00 0.00 N ATOM 648 CA THR A 41 -20.529 -3.319 -0.859 1.00 0.00 C ATOM 649 C THR A 41 -19.550 -2.574 0.052 1.00 0.00 C ATOM 650 O THR A 41 -18.370 -2.917 0.113 1.00 0.00 O ATOM 651 CB THR A 41 -20.841 -4.738 -0.381 1.00 0.00 C ATOM 652 OG1 THR A 41 -19.598 -5.427 -0.496 1.00 0.00 O ATOM 653 CG2 THR A 41 -21.772 -5.485 -1.338 1.00 0.00 C ATOM 0 H THR A 41 -19.337 -4.170 -2.359 1.00 0.00 H new ATOM 0 HA THR A 41 -21.452 -2.740 -0.835 1.00 0.00 H new ATOM 0 HB THR A 41 -21.295 -4.695 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.860 -4.787 -0.411 1.00 0.00 H new ATOM 0 HG21 THR A 41 -21.962 -6.487 -0.953 1.00 0.00 H new ATOM 0 HG22 THR A 41 -22.715 -4.945 -1.424 1.00 0.00 H new ATOM 0 HG23 THR A 41 -21.304 -5.556 -2.320 1.00 0.00 H new ATOM 661 N ALA A 42 -20.075 -1.569 0.736 1.00 0.00 N ATOM 662 CA ALA A 42 -19.262 -0.772 1.639 1.00 0.00 C ATOM 663 C ALA A 42 -19.056 -1.542 2.946 1.00 0.00 C ATOM 664 O ALA A 42 -20.021 -1.953 3.587 1.00 0.00 O ATOM 665 CB ALA A 42 -19.930 0.587 1.861 1.00 0.00 C ATOM 0 H ALA A 42 -21.054 -1.288 0.683 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.278 -0.585 1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -19.321 1.186 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.027 1.105 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.918 0.440 2.296 1.00 0.00 H new ATOM 671 N ASN A 43 -17.791 -1.713 3.300 1.00 0.00 N ATOM 672 CA ASN A 43 -17.445 -2.426 4.518 1.00 0.00 C ATOM 673 C ASN A 43 -15.970 -2.831 4.466 1.00 0.00 C ATOM 674 O ASN A 43 -15.315 -2.936 5.501 1.00 0.00 O ATOM 675 CB ASN A 43 -18.280 -3.700 4.666 1.00 0.00 C ATOM 676 CG ASN A 43 -18.398 -4.436 3.330 1.00 0.00 C ATOM 677 OD1 ASN A 43 -17.425 -4.885 2.749 1.00 0.00 O ATOM 678 ND2 ASN A 43 -19.646 -4.536 2.876 1.00 0.00 N ATOM 0 H ASN A 43 -16.993 -1.370 2.765 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.641 -1.766 5.363 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -17.822 -4.355 5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -19.274 -3.447 5.035 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -19.831 -5.011 1.992 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -20.417 -4.138 3.412 1.00 0.00 H new ATOM 685 N LYS A 44 -15.492 -3.047 3.249 1.00 0.00 N ATOM 686 CA LYS A 44 -14.107 -3.438 3.048 1.00 0.00 C ATOM 687 C LYS A 44 -13.331 -2.262 2.454 1.00 0.00 C ATOM 688 O LYS A 44 -13.904 -1.209 2.179 1.00 0.00 O ATOM 689 CB LYS A 44 -14.026 -4.715 2.209 1.00 0.00 C ATOM 690 CG LYS A 44 -14.517 -4.465 0.781 1.00 0.00 C ATOM 691 CD LYS A 44 -13.353 -4.093 -0.140 1.00 0.00 C ATOM 692 CE LYS A 44 -13.715 -2.899 -1.025 1.00 0.00 C ATOM 693 NZ LYS A 44 -14.272 -3.360 -2.317 1.00 0.00 N ATOM 0 H LYS A 44 -16.039 -2.959 2.393 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.638 -3.681 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.997 -5.075 2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.627 -5.498 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.015 -5.358 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.256 -3.664 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.474 -3.854 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.091 -4.947 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.442 -2.267 -0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.830 -2.288 -1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.936 -2.648 -2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.499 -3.496 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.773 -4.261 -2.177 1.00 0.00 H new ATOM 707 N TYR A 45 -12.036 -2.479 2.271 1.00 0.00 N ATOM 708 CA TYR A 45 -11.176 -1.450 1.714 1.00 0.00 C ATOM 709 C TYR A 45 -10.474 -1.949 0.449 1.00 0.00 C ATOM 710 O TYR A 45 -10.161 -3.133 0.332 1.00 0.00 O ATOM 711 CB TYR A 45 -10.122 -1.157 2.783 1.00 0.00 C ATOM 712 CG TYR A 45 -10.106 0.298 3.258 1.00 0.00 C ATOM 713 CD1 TYR A 45 -10.404 1.316 2.374 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.795 0.593 4.570 1.00 0.00 C ATOM 715 CE1 TYR A 45 -10.389 2.684 2.821 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.780 1.962 5.016 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.078 2.939 4.120 1.00 0.00 C ATOM 718 OH TYR A 45 -10.063 4.233 4.542 1.00 0.00 O ATOM 0 H TYR A 45 -11.562 -3.353 2.499 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.757 -0.568 1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.298 -1.807 3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.138 -1.411 2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.648 1.086 1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.563 -0.203 5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.620 3.490 2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.537 2.207 6.040 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.302 4.270 5.492 1.00 0.00 H new ATOM 728 N GLN A 46 -10.247 -1.020 -0.468 1.00 0.00 N ATOM 729 CA GLN A 46 -9.588 -1.349 -1.721 1.00 0.00 C ATOM 730 C GLN A 46 -8.085 -1.081 -1.618 1.00 0.00 C ATOM 731 O GLN A 46 -7.671 0.004 -1.210 1.00 0.00 O ATOM 732 CB GLN A 46 -10.205 -0.571 -2.887 1.00 0.00 C ATOM 733 CG GLN A 46 -9.393 -0.769 -4.167 1.00 0.00 C ATOM 734 CD GLN A 46 -10.144 -0.222 -5.382 1.00 0.00 C ATOM 735 OE1 GLN A 46 -11.215 -0.683 -5.742 1.00 0.00 O ATOM 736 NE2 GLN A 46 -9.525 0.784 -5.994 1.00 0.00 N ATOM 0 H GLN A 46 -10.508 -0.039 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.735 -2.411 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.231 -0.902 -3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.248 0.490 -2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.431 -0.266 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.186 -1.829 -4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.630 1.122 -5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.946 1.217 -6.816 1.00 0.00 H new ATOM 745 N VAL A 47 -7.310 -2.087 -1.993 1.00 0.00 N ATOM 746 CA VAL A 47 -5.862 -1.974 -1.948 1.00 0.00 C ATOM 747 C VAL A 47 -5.329 -1.731 -3.361 1.00 0.00 C ATOM 748 O VAL A 47 -5.874 -2.253 -4.333 1.00 0.00 O ATOM 749 CB VAL A 47 -5.260 -3.216 -1.287 1.00 0.00 C ATOM 750 CG1 VAL A 47 -4.638 -4.145 -2.331 1.00 0.00 C ATOM 751 CG2 VAL A 47 -4.237 -2.827 -0.219 1.00 0.00 C ATOM 0 H VAL A 47 -7.657 -2.985 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.565 -1.121 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.067 -3.759 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.217 -5.020 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.404 -4.462 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.848 -3.616 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.825 -3.728 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.433 -2.251 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.723 -2.224 0.548 1.00 0.00 H new ATOM 761 N PHE A 48 -4.270 -0.938 -3.432 1.00 0.00 N ATOM 762 CA PHE A 48 -3.656 -0.620 -4.709 1.00 0.00 C ATOM 763 C PHE A 48 -2.137 -0.784 -4.647 1.00 0.00 C ATOM 764 O PHE A 48 -1.437 0.082 -4.124 1.00 0.00 O ATOM 765 CB PHE A 48 -3.987 0.844 -5.012 1.00 0.00 C ATOM 766 CG PHE A 48 -4.681 1.060 -6.359 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.945 1.101 -7.503 1.00 0.00 C ATOM 768 CD2 PHE A 48 -6.030 1.212 -6.413 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.589 1.301 -8.753 1.00 0.00 C ATOM 770 CE2 PHE A 48 -6.674 1.413 -7.663 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.940 1.453 -8.806 1.00 0.00 C ATOM 0 H PHE A 48 -3.821 -0.506 -2.624 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.034 -1.292 -5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.626 1.233 -4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.065 1.426 -4.992 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.872 0.982 -7.460 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.613 1.180 -5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.006 1.332 -9.662 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.746 1.534 -7.705 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.429 1.605 -9.757 1.00 0.00 H new ATOM 781 N PHE A 49 -1.671 -1.902 -5.184 1.00 0.00 N ATOM 782 CA PHE A 49 -0.247 -2.192 -5.195 1.00 0.00 C ATOM 783 C PHE A 49 0.475 -1.350 -6.248 1.00 0.00 C ATOM 784 O PHE A 49 0.111 -1.372 -7.423 1.00 0.00 O ATOM 785 CB PHE A 49 -0.095 -3.673 -5.550 1.00 0.00 C ATOM 786 CG PHE A 49 -1.173 -4.572 -4.944 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.072 -4.976 -3.649 1.00 0.00 C ATOM 788 CD2 PHE A 49 -2.233 -4.968 -5.699 1.00 0.00 C ATOM 789 CE1 PHE A 49 -2.073 -5.812 -3.086 1.00 0.00 C ATOM 790 CE2 PHE A 49 -3.234 -5.803 -5.136 1.00 0.00 C ATOM 791 CZ PHE A 49 -3.133 -6.207 -3.841 1.00 0.00 C ATOM 0 H PHE A 49 -2.255 -2.619 -5.615 1.00 0.00 H new ATOM 0 HA PHE A 49 0.188 -1.960 -4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.115 -3.780 -6.635 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.883 -4.018 -5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.231 -4.661 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.313 -4.647 -6.727 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.992 -6.134 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.075 -6.117 -5.736 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.895 -6.841 -3.412 1.00 0.00 H new ATOM 801 N PHE A 50 1.486 -0.625 -5.790 1.00 0.00 N ATOM 802 CA PHE A 50 2.262 0.222 -6.677 1.00 0.00 C ATOM 803 C PHE A 50 3.268 -0.603 -7.483 1.00 0.00 C ATOM 804 O PHE A 50 3.223 -0.616 -8.712 1.00 0.00 O ATOM 805 CB PHE A 50 3.025 1.213 -5.796 1.00 0.00 C ATOM 806 CG PHE A 50 2.249 2.496 -5.489 1.00 0.00 C ATOM 807 CD1 PHE A 50 1.576 3.138 -6.482 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.234 2.994 -4.223 1.00 0.00 C ATOM 809 CE1 PHE A 50 0.856 4.329 -6.196 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.514 4.185 -3.939 1.00 0.00 C ATOM 811 CZ PHE A 50 0.841 4.827 -4.930 1.00 0.00 C ATOM 0 H PHE A 50 1.785 -0.608 -4.815 1.00 0.00 H new ATOM 0 HA PHE A 50 1.600 0.728 -7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.285 0.724 -4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.961 1.476 -6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.589 2.743 -7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.769 2.484 -3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.321 4.839 -6.983 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.501 4.581 -2.934 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.294 5.733 -4.712 1.00 0.00 H new ATOM 821 N GLY A 51 4.152 -1.272 -6.757 1.00 0.00 N ATOM 822 CA GLY A 51 5.166 -2.099 -7.390 1.00 0.00 C ATOM 823 C GLY A 51 4.595 -2.840 -8.600 1.00 0.00 C ATOM 824 O GLY A 51 5.112 -2.717 -9.709 1.00 0.00 O ATOM 0 H GLY A 51 4.187 -1.258 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.004 -1.476 -7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.555 -2.818 -6.669 1.00 0.00 H new ATOM 828 N THR A 52 3.536 -3.594 -8.345 1.00 0.00 N ATOM 829 CA THR A 52 2.889 -4.356 -9.399 1.00 0.00 C ATOM 830 C THR A 52 1.954 -3.457 -10.211 1.00 0.00 C ATOM 831 O THR A 52 1.745 -3.685 -11.401 1.00 0.00 O ATOM 832 CB THR A 52 2.177 -5.547 -8.754 1.00 0.00 C ATOM 833 OG1 THR A 52 1.260 -4.951 -7.841 1.00 0.00 O ATOM 834 CG2 THR A 52 3.108 -6.371 -7.863 1.00 0.00 C ATOM 0 H THR A 52 3.110 -3.693 -7.424 1.00 0.00 H new ATOM 0 HA THR A 52 3.618 -4.742 -10.111 1.00 0.00 H new ATOM 0 HB THR A 52 1.759 -6.186 -9.532 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.755 -5.653 -7.380 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.554 -7.204 -7.430 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.935 -6.757 -8.459 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.499 -5.741 -7.064 1.00 0.00 H new ATOM 842 N HIS A 53 1.417 -2.452 -9.533 1.00 0.00 N ATOM 843 CA HIS A 53 0.510 -1.516 -10.176 1.00 0.00 C ATOM 844 C HIS A 53 -0.848 -2.188 -10.396 1.00 0.00 C ATOM 845 O HIS A 53 -1.486 -1.979 -11.426 1.00 0.00 O ATOM 846 CB HIS A 53 1.118 -0.969 -11.468 1.00 0.00 C ATOM 847 CG HIS A 53 1.285 0.531 -11.481 1.00 0.00 C ATOM 848 ND1 HIS A 53 0.317 1.388 -11.976 1.00 0.00 N ATOM 849 CD2 HIS A 53 2.314 1.318 -11.058 1.00 0.00 C ATOM 850 CE1 HIS A 53 0.755 2.632 -11.850 1.00 0.00 C ATOM 851 NE2 HIS A 53 1.993 2.586 -11.280 1.00 0.00 N ATOM 0 H HIS A 53 1.593 -2.266 -8.546 1.00 0.00 H new ATOM 0 HA HIS A 53 0.350 -0.655 -9.527 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.091 -1.434 -11.625 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.486 -1.261 -12.307 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.236 0.968 -10.616 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.225 3.525 -12.146 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.576 3.394 -11.060 1.00 0.00 H new ATOM 859 N GLU A 54 -1.248 -2.979 -9.412 1.00 0.00 N ATOM 860 CA GLU A 54 -2.517 -3.682 -9.485 1.00 0.00 C ATOM 861 C GLU A 54 -3.433 -3.245 -8.342 1.00 0.00 C ATOM 862 O GLU A 54 -2.997 -2.554 -7.422 1.00 0.00 O ATOM 863 CB GLU A 54 -2.306 -5.198 -9.471 1.00 0.00 C ATOM 864 CG GLU A 54 -1.682 -5.678 -10.783 1.00 0.00 C ATOM 865 CD GLU A 54 -2.333 -6.978 -11.256 1.00 0.00 C ATOM 866 OE1 GLU A 54 -3.521 -6.911 -11.640 1.00 0.00 O ATOM 867 OE2 GLU A 54 -1.628 -8.010 -11.223 1.00 0.00 O ATOM 0 H GLU A 54 -0.715 -3.149 -8.559 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.999 -3.424 -10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.661 -5.471 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.261 -5.700 -9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.798 -4.910 -11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.612 -5.832 -10.646 1.00 0.00 H new ATOM 874 N THR A 55 -4.685 -3.666 -8.434 1.00 0.00 N ATOM 875 CA THR A 55 -5.667 -3.327 -7.419 1.00 0.00 C ATOM 876 C THR A 55 -6.487 -4.560 -7.036 1.00 0.00 C ATOM 877 O THR A 55 -6.743 -5.424 -7.874 1.00 0.00 O ATOM 878 CB THR A 55 -6.519 -2.173 -7.952 1.00 0.00 C ATOM 879 OG1 THR A 55 -5.621 -1.067 -7.990 1.00 0.00 O ATOM 880 CG2 THR A 55 -7.602 -1.740 -6.962 1.00 0.00 C ATOM 0 H THR A 55 -5.043 -4.240 -9.197 1.00 0.00 H new ATOM 0 HA THR A 55 -5.185 -2.997 -6.498 1.00 0.00 H new ATOM 0 HB THR A 55 -6.984 -2.469 -8.892 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.030 -0.298 -7.542 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.178 -0.919 -7.389 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.265 -2.581 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.136 -1.412 -6.033 1.00 0.00 H new ATOM 888 N ALA A 56 -6.876 -4.604 -5.771 1.00 0.00 N ATOM 889 CA ALA A 56 -7.661 -5.718 -5.265 1.00 0.00 C ATOM 890 C ALA A 56 -8.413 -5.277 -4.008 1.00 0.00 C ATOM 891 O ALA A 56 -8.299 -4.129 -3.580 1.00 0.00 O ATOM 892 CB ALA A 56 -6.744 -6.914 -5.010 1.00 0.00 C ATOM 0 H ALA A 56 -6.662 -3.885 -5.080 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.404 -6.030 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.333 -7.749 -4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.259 -7.205 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.986 -6.641 -4.276 1.00 0.00 H new ATOM 898 N PHE A 57 -9.165 -6.214 -3.449 1.00 0.00 N ATOM 899 CA PHE A 57 -9.935 -5.937 -2.248 1.00 0.00 C ATOM 900 C PHE A 57 -9.300 -6.602 -1.025 1.00 0.00 C ATOM 901 O PHE A 57 -9.083 -7.813 -1.015 1.00 0.00 O ATOM 902 CB PHE A 57 -11.331 -6.525 -2.466 1.00 0.00 C ATOM 903 CG PHE A 57 -11.333 -8.020 -2.789 1.00 0.00 C ATOM 904 CD1 PHE A 57 -11.197 -8.439 -4.076 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.470 -8.931 -1.788 1.00 0.00 C ATOM 906 CE1 PHE A 57 -11.200 -9.828 -4.374 1.00 0.00 C ATOM 907 CE2 PHE A 57 -11.472 -10.319 -2.087 1.00 0.00 C ATOM 908 CZ PHE A 57 -11.336 -10.739 -3.374 1.00 0.00 C ATOM 0 H PHE A 57 -9.257 -7.165 -3.805 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.970 -4.863 -2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.929 -6.357 -1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.817 -5.987 -3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.087 -7.716 -4.871 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.577 -8.599 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.094 -10.161 -5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.582 -11.042 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 57 -11.336 -11.795 -3.601 1.00 0.00 H new ATOM 918 N LEU A 58 -9.021 -5.781 -0.023 1.00 0.00 N ATOM 919 CA LEU A 58 -8.417 -6.275 1.203 1.00 0.00 C ATOM 920 C LEU A 58 -8.938 -5.460 2.388 1.00 0.00 C ATOM 921 O LEU A 58 -9.729 -4.534 2.209 1.00 0.00 O ATOM 922 CB LEU A 58 -6.891 -6.278 1.083 1.00 0.00 C ATOM 923 CG LEU A 58 -6.315 -7.013 -0.130 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.809 -6.771 -0.253 1.00 0.00 C ATOM 925 CD2 LEU A 58 -6.655 -8.504 -0.080 1.00 0.00 C ATOM 0 H LEU A 58 -9.202 -4.777 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.704 -7.312 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.547 -5.244 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.476 -6.727 1.986 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.780 -6.607 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.425 -7.304 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.620 -5.704 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.308 -7.132 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.234 -9.003 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.236 -8.943 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.738 -8.630 -0.077 1.00 0.00 H new ATOM 937 N GLY A 59 -8.474 -5.833 3.572 1.00 0.00 N ATOM 938 CA GLY A 59 -8.884 -5.149 4.785 1.00 0.00 C ATOM 939 C GLY A 59 -7.677 -4.557 5.516 1.00 0.00 C ATOM 940 O GLY A 59 -6.639 -4.308 4.906 1.00 0.00 O ATOM 0 H GLY A 59 -7.818 -6.601 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.589 -4.355 4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.405 -5.846 5.441 1.00 0.00 H new ATOM 944 N PRO A 60 -7.859 -4.346 6.847 1.00 0.00 N ATOM 945 CA PRO A 60 -6.796 -3.789 7.667 1.00 0.00 C ATOM 946 C PRO A 60 -5.714 -4.833 7.947 1.00 0.00 C ATOM 947 O PRO A 60 -4.534 -4.500 8.039 1.00 0.00 O ATOM 948 CB PRO A 60 -7.489 -3.300 8.930 1.00 0.00 C ATOM 949 CG PRO A 60 -8.830 -4.015 8.973 1.00 0.00 C ATOM 950 CD PRO A 60 -9.075 -4.630 7.604 1.00 0.00 C ATOM 0 HA PRO A 60 -6.270 -2.972 7.174 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.895 -3.529 9.815 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.623 -2.219 8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.827 -4.787 9.743 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.627 -3.316 9.226 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.254 -5.703 7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.951 -4.193 7.125 1.00 0.00 H new ATOM 958 N LYS A 61 -6.155 -6.077 8.072 1.00 0.00 N ATOM 959 CA LYS A 61 -5.238 -7.172 8.338 1.00 0.00 C ATOM 960 C LYS A 61 -4.205 -7.252 7.213 1.00 0.00 C ATOM 961 O LYS A 61 -3.003 -7.172 7.462 1.00 0.00 O ATOM 962 CB LYS A 61 -6.009 -8.474 8.558 1.00 0.00 C ATOM 963 CG LYS A 61 -5.052 -9.654 8.739 1.00 0.00 C ATOM 964 CD LYS A 61 -4.737 -9.886 10.218 1.00 0.00 C ATOM 965 CE LYS A 61 -3.578 -9.001 10.677 1.00 0.00 C ATOM 966 NZ LYS A 61 -4.076 -7.892 11.522 1.00 0.00 N ATOM 0 H LYS A 61 -7.135 -6.350 7.994 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.689 -6.993 9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.646 -8.379 9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.665 -8.660 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.495 -10.554 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.128 -9.464 8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.621 -9.674 10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.485 -10.934 10.380 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.857 -9.597 11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.054 -8.599 9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.495 -7.045 11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.065 -7.685 11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.019 -8.166 12.524 1.00 0.00 H new ATOM 980 N ASP A 62 -4.710 -7.407 5.999 1.00 0.00 N ATOM 981 CA ASP A 62 -3.848 -7.499 4.834 1.00 0.00 C ATOM 982 C ASP A 62 -2.865 -6.327 4.839 1.00 0.00 C ATOM 983 O ASP A 62 -1.746 -6.447 4.342 1.00 0.00 O ATOM 984 CB ASP A 62 -4.659 -7.431 3.538 1.00 0.00 C ATOM 985 CG ASP A 62 -5.193 -8.773 3.038 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.347 -9.632 2.707 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.435 -8.911 2.998 1.00 0.00 O ATOM 0 H ASP A 62 -5.708 -7.471 5.797 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.323 -8.453 4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.501 -6.756 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.035 -6.993 2.759 1.00 0.00 H new ATOM 992 N LEU A 63 -3.317 -5.219 5.407 1.00 0.00 N ATOM 993 CA LEU A 63 -2.492 -4.026 5.484 1.00 0.00 C ATOM 994 C LEU A 63 -1.711 -4.035 6.799 1.00 0.00 C ATOM 995 O LEU A 63 -2.236 -4.443 7.834 1.00 0.00 O ATOM 996 CB LEU A 63 -3.345 -2.770 5.284 1.00 0.00 C ATOM 997 CG LEU A 63 -3.074 -1.972 4.008 1.00 0.00 C ATOM 998 CD1 LEU A 63 -2.612 -2.891 2.874 1.00 0.00 C ATOM 999 CD2 LEU A 63 -4.296 -1.141 3.611 1.00 0.00 C ATOM 0 H LEU A 63 -4.245 -5.122 5.819 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.759 -4.018 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.395 -3.063 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.193 -2.112 6.140 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.261 -1.274 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.426 -2.298 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.694 -3.400 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.386 -3.630 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.077 -0.583 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.144 -1.802 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.539 -0.445 4.414 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.470 -3.581 6.717 1.00 0.00 N ATOM 1012 CA PHE A 64 0.389 -3.530 7.887 1.00 0.00 C ATOM 1013 C PHE A 64 1.297 -2.300 7.850 1.00 0.00 C ATOM 1014 O PHE A 64 1.830 -1.949 6.800 1.00 0.00 O ATOM 1015 CB PHE A 64 1.257 -4.791 7.859 1.00 0.00 C ATOM 1016 CG PHE A 64 0.771 -5.902 8.791 1.00 0.00 C ATOM 1017 CD1 PHE A 64 1.213 -5.955 10.076 1.00 0.00 C ATOM 1018 CD2 PHE A 64 -0.103 -6.839 8.335 1.00 0.00 C ATOM 1019 CE1 PHE A 64 0.762 -6.986 10.942 1.00 0.00 C ATOM 1020 CE2 PHE A 64 -0.555 -7.870 9.201 1.00 0.00 C ATOM 1021 CZ PHE A 64 -0.114 -7.923 10.485 1.00 0.00 C ATOM 0 H PHE A 64 -0.038 -3.244 5.857 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.218 -3.472 8.791 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.289 -5.175 6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.278 -4.523 8.131 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.908 -5.212 10.438 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.453 -6.799 7.314 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.114 -7.027 11.962 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.250 -8.613 8.838 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.458 -8.708 11.143 1.00 0.00 H new ATOM 1031 N PRO A 65 1.450 -1.662 9.042 1.00 0.00 N ATOM 1032 CA PRO A 65 2.284 -0.478 9.156 1.00 0.00 C ATOM 1033 C PRO A 65 3.768 -0.848 9.125 1.00 0.00 C ATOM 1034 O PRO A 65 4.118 -2.027 9.124 1.00 0.00 O ATOM 1035 CB PRO A 65 1.863 0.176 10.462 1.00 0.00 C ATOM 1036 CG PRO A 65 1.143 -0.903 11.255 1.00 0.00 C ATOM 1037 CD PRO A 65 0.835 -2.050 10.308 1.00 0.00 C ATOM 0 HA PRO A 65 2.153 0.210 8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.729 0.550 11.008 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.209 1.028 10.279 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.764 -1.247 12.082 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.224 -0.509 11.689 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.247 -2.989 10.677 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.240 -2.195 10.198 1.00 0.00 H new ATOM 1045 N TYR A 66 4.601 0.182 9.098 1.00 0.00 N ATOM 1046 CA TYR A 66 6.040 -0.020 9.066 1.00 0.00 C ATOM 1047 C TYR A 66 6.549 -0.555 10.406 1.00 0.00 C ATOM 1048 O TYR A 66 7.424 -1.417 10.442 1.00 0.00 O ATOM 1049 CB TYR A 66 6.654 1.359 8.814 1.00 0.00 C ATOM 1050 CG TYR A 66 8.113 1.479 9.255 1.00 0.00 C ATOM 1051 CD1 TYR A 66 9.125 1.060 8.415 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.420 2.007 10.493 1.00 0.00 C ATOM 1053 CE1 TYR A 66 10.499 1.175 8.829 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.794 2.121 10.909 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.766 1.698 10.056 1.00 0.00 C ATOM 1056 OH TYR A 66 12.064 1.806 10.447 1.00 0.00 O ATOM 0 H TYR A 66 4.307 1.159 9.098 1.00 0.00 H new ATOM 0 HA TYR A 66 6.309 -0.744 8.297 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.587 1.587 7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.063 2.110 9.339 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.886 0.646 7.447 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.629 2.335 11.151 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.300 0.853 8.180 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.047 2.532 11.875 1.00 0.00 H new ATOM 0 HH TYR A 66 12.104 2.197 11.345 1.00 0.00 H new ATOM 1066 N GLU A 67 5.977 -0.020 11.475 1.00 0.00 N ATOM 1067 CA GLU A 67 6.362 -0.433 12.815 1.00 0.00 C ATOM 1068 C GLU A 67 6.216 -1.948 12.964 1.00 0.00 C ATOM 1069 O GLU A 67 7.151 -2.626 13.390 1.00 0.00 O ATOM 1070 CB GLU A 67 5.539 0.305 13.873 1.00 0.00 C ATOM 1071 CG GLU A 67 6.017 1.749 14.029 1.00 0.00 C ATOM 1072 CD GLU A 67 5.137 2.709 13.226 1.00 0.00 C ATOM 1073 OE1 GLU A 67 3.994 2.939 13.673 1.00 0.00 O ATOM 1074 OE2 GLU A 67 5.628 3.190 12.182 1.00 0.00 O ATOM 0 H GLU A 67 5.251 0.695 11.441 1.00 0.00 H new ATOM 0 HA GLU A 67 7.409 -0.172 12.970 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.486 0.295 13.592 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.619 -0.214 14.828 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.000 2.029 15.082 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.051 1.832 13.694 1.00 0.00 H new ATOM 1081 N GLU A 68 5.037 -2.436 12.606 1.00 0.00 N ATOM 1082 CA GLU A 68 4.758 -3.859 12.697 1.00 0.00 C ATOM 1083 C GLU A 68 5.585 -4.629 11.665 1.00 0.00 C ATOM 1084 O GLU A 68 6.213 -5.634 11.994 1.00 0.00 O ATOM 1085 CB GLU A 68 3.263 -4.137 12.516 1.00 0.00 C ATOM 1086 CG GLU A 68 2.520 -4.014 13.848 1.00 0.00 C ATOM 1087 CD GLU A 68 1.109 -4.599 13.743 1.00 0.00 C ATOM 1088 OE1 GLU A 68 0.207 -3.834 13.340 1.00 0.00 O ATOM 1089 OE2 GLU A 68 0.966 -5.796 14.069 1.00 0.00 O ATOM 0 H GLU A 68 4.265 -1.871 12.253 1.00 0.00 H new ATOM 0 HA GLU A 68 5.042 -4.202 13.692 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.843 -3.436 11.795 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.122 -5.138 12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.076 -4.533 14.628 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.462 -2.966 14.141 1.00 0.00 H new ATOM 1096 N SER A 69 5.561 -4.127 10.439 1.00 0.00 N ATOM 1097 CA SER A 69 6.302 -4.755 9.360 1.00 0.00 C ATOM 1098 C SER A 69 7.775 -4.898 9.748 1.00 0.00 C ATOM 1099 O SER A 69 8.344 -5.984 9.654 1.00 0.00 O ATOM 1100 CB SER A 69 6.170 -3.954 8.062 1.00 0.00 C ATOM 1101 OG SER A 69 4.989 -4.297 7.341 1.00 0.00 O ATOM 0 H SER A 69 5.040 -3.293 10.170 1.00 0.00 H new ATOM 0 HA SER A 69 5.881 -5.746 9.189 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.157 -2.889 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.043 -4.134 7.435 1.00 0.00 H new ATOM 0 HG SER A 69 4.253 -3.715 7.623 1.00 0.00 H new ATOM 1107 N LYS A 70 8.351 -3.784 10.174 1.00 0.00 N ATOM 1108 CA LYS A 70 9.747 -3.769 10.579 1.00 0.00 C ATOM 1109 C LYS A 70 9.920 -4.629 11.832 1.00 0.00 C ATOM 1110 O LYS A 70 11.031 -5.040 12.159 1.00 0.00 O ATOM 1111 CB LYS A 70 10.243 -2.331 10.745 1.00 0.00 C ATOM 1112 CG LYS A 70 9.840 -1.767 12.109 1.00 0.00 C ATOM 1113 CD LYS A 70 11.073 -1.434 12.951 1.00 0.00 C ATOM 1114 CE LYS A 70 10.714 -0.493 14.103 1.00 0.00 C ATOM 1115 NZ LYS A 70 11.937 0.079 14.707 1.00 0.00 N ATOM 0 H LYS A 70 7.876 -2.884 10.248 1.00 0.00 H new ATOM 0 HA LYS A 70 10.373 -4.208 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.328 -2.302 10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.831 -1.706 9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.236 -0.870 11.972 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.220 -2.491 12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.505 -2.352 13.348 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.833 -0.971 12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.072 0.309 13.738 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.147 -1.035 14.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.674 0.715 15.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.535 -0.689 15.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.463 0.614 13.986 1.00 0.00 H new ATOM 1129 N GLU A 71 8.803 -4.875 12.501 1.00 0.00 N ATOM 1130 CA GLU A 71 8.817 -5.678 13.713 1.00 0.00 C ATOM 1131 C GLU A 71 9.291 -7.098 13.400 1.00 0.00 C ATOM 1132 O GLU A 71 10.268 -7.572 13.981 1.00 0.00 O ATOM 1133 CB GLU A 71 7.438 -5.693 14.376 1.00 0.00 C ATOM 1134 CG GLU A 71 7.562 -5.855 15.891 1.00 0.00 C ATOM 1135 CD GLU A 71 6.947 -7.180 16.353 1.00 0.00 C ATOM 1136 OE1 GLU A 71 7.693 -8.183 16.345 1.00 0.00 O ATOM 1137 OE2 GLU A 71 5.747 -7.157 16.703 1.00 0.00 O ATOM 0 H GLU A 71 7.882 -4.533 12.227 1.00 0.00 H new ATOM 0 HA GLU A 71 9.517 -5.229 14.418 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.910 -4.767 14.147 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.842 -6.509 13.967 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.612 -5.817 16.180 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.064 -5.025 16.391 1.00 0.00 H new ATOM 1144 N LYS A 72 8.578 -7.739 12.487 1.00 0.00 N ATOM 1145 CA LYS A 72 8.914 -9.097 12.092 1.00 0.00 C ATOM 1146 C LYS A 72 10.121 -9.066 11.152 1.00 0.00 C ATOM 1147 O LYS A 72 11.214 -9.491 11.525 1.00 0.00 O ATOM 1148 CB LYS A 72 7.692 -9.801 11.501 1.00 0.00 C ATOM 1149 CG LYS A 72 7.730 -11.303 11.790 1.00 0.00 C ATOM 1150 CD LYS A 72 9.031 -11.926 11.279 1.00 0.00 C ATOM 1151 CE LYS A 72 9.977 -12.248 12.437 1.00 0.00 C ATOM 1152 NZ LYS A 72 9.450 -13.376 13.238 1.00 0.00 N ATOM 0 H LYS A 72 7.768 -7.344 12.009 1.00 0.00 H new ATOM 0 HA LYS A 72 9.202 -9.687 12.962 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.782 -9.370 11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.658 -9.635 10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.638 -11.473 12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.878 -11.790 11.315 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.808 -12.837 10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.519 -11.241 10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.964 -12.500 12.049 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.098 -11.369 13.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.229 -13.823 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.738 -13.023 13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.012 -14.076 12.606 1.00 0.00 H new ATOM 1166 N PHE A 73 9.882 -8.560 9.950 1.00 0.00 N ATOM 1167 CA PHE A 73 10.935 -8.469 8.954 1.00 0.00 C ATOM 1168 C PHE A 73 10.977 -7.074 8.327 1.00 0.00 C ATOM 1169 O PHE A 73 12.021 -6.422 8.323 1.00 0.00 O ATOM 1170 CB PHE A 73 10.613 -9.494 7.866 1.00 0.00 C ATOM 1171 CG PHE A 73 9.149 -9.491 7.422 1.00 0.00 C ATOM 1172 CD1 PHE A 73 8.216 -10.165 8.148 1.00 0.00 C ATOM 1173 CD2 PHE A 73 8.780 -8.815 6.302 1.00 0.00 C ATOM 1174 CE1 PHE A 73 6.857 -10.161 7.736 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.420 -8.812 5.890 1.00 0.00 C ATOM 1176 CZ PHE A 73 6.488 -9.485 6.616 1.00 0.00 C ATOM 0 H PHE A 73 8.974 -8.209 9.644 1.00 0.00 H new ATOM 0 HA PHE A 73 11.903 -8.659 9.418 1.00 0.00 H new ATOM 0 HB2 PHE A 73 11.245 -9.300 7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.869 -10.489 8.231 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.509 -10.703 9.037 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.520 -8.280 5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.116 -10.695 8.313 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.127 -8.275 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.454 -9.482 6.303 1.00 0.00 H new ATOM 1186 N GLY A 74 9.830 -6.655 7.813 1.00 0.00 N ATOM 1187 CA GLY A 74 9.722 -5.351 7.185 1.00 0.00 C ATOM 1188 C GLY A 74 10.517 -5.304 5.879 1.00 0.00 C ATOM 1189 O GLY A 74 10.564 -4.270 5.214 1.00 0.00 O ATOM 0 H GLY A 74 8.966 -7.197 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.674 -5.125 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.089 -4.584 7.866 1.00 0.00 H new ATOM 1193 N LYS A 75 11.120 -6.436 5.550 1.00 0.00 N ATOM 1194 CA LYS A 75 11.911 -6.537 4.335 1.00 0.00 C ATOM 1195 C LYS A 75 11.491 -7.788 3.561 1.00 0.00 C ATOM 1196 O LYS A 75 11.992 -8.881 3.822 1.00 0.00 O ATOM 1197 CB LYS A 75 13.405 -6.488 4.660 1.00 0.00 C ATOM 1198 CG LYS A 75 13.779 -7.568 5.678 1.00 0.00 C ATOM 1199 CD LYS A 75 14.464 -8.752 4.992 1.00 0.00 C ATOM 1200 CE LYS A 75 15.699 -9.201 5.778 1.00 0.00 C ATOM 1201 NZ LYS A 75 16.295 -10.407 5.161 1.00 0.00 N ATOM 0 H LYS A 75 11.077 -7.292 6.103 1.00 0.00 H new ATOM 0 HA LYS A 75 11.722 -5.681 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.984 -6.627 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.663 -5.505 5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.442 -7.147 6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.883 -7.911 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.763 -9.582 4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.755 -8.472 3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.434 -8.397 5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.423 -9.412 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.131 -10.698 5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.597 -11.178 5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.576 -10.194 4.183 1.00 0.00 H new ATOM 1215 N PRO A 76 10.551 -7.582 2.600 1.00 0.00 N ATOM 1216 CA PRO A 76 10.059 -8.681 1.786 1.00 0.00 C ATOM 1217 C PRO A 76 11.093 -9.093 0.736 1.00 0.00 C ATOM 1218 O PRO A 76 12.130 -8.447 0.596 1.00 0.00 O ATOM 1219 CB PRO A 76 8.764 -8.169 1.177 1.00 0.00 C ATOM 1220 CG PRO A 76 8.817 -6.654 1.295 1.00 0.00 C ATOM 1221 CD PRO A 76 9.936 -6.302 2.263 1.00 0.00 C ATOM 0 HA PRO A 76 9.881 -9.587 2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.674 -8.477 0.135 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.899 -8.572 1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.998 -6.201 0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.864 -6.265 1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.657 -5.625 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.549 -5.803 3.151 1.00 0.00 H new ATOM 1229 N ASN A 77 10.773 -10.164 0.026 1.00 0.00 N ATOM 1230 CA ASN A 77 11.661 -10.671 -1.007 1.00 0.00 C ATOM 1231 C ASN A 77 12.092 -9.515 -1.912 1.00 0.00 C ATOM 1232 O ASN A 77 11.279 -8.969 -2.657 1.00 0.00 O ATOM 1233 CB ASN A 77 10.957 -11.715 -1.875 1.00 0.00 C ATOM 1234 CG ASN A 77 10.173 -12.706 -1.014 1.00 0.00 C ATOM 1235 OD1 ASN A 77 10.646 -13.775 -0.663 1.00 0.00 O ATOM 1236 ND2 ASN A 77 8.951 -12.294 -0.691 1.00 0.00 N ATOM 0 H ASN A 77 9.911 -10.696 0.145 1.00 0.00 H new ATOM 0 HA ASN A 77 12.521 -11.130 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.281 -11.218 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.693 -12.251 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.349 -12.884 -0.117 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.615 -11.388 -1.017 1.00 0.00 H new ATOM 1243 N LYS A 78 13.370 -9.176 -1.819 1.00 0.00 N ATOM 1244 CA LYS A 78 13.919 -8.096 -2.621 1.00 0.00 C ATOM 1245 C LYS A 78 13.951 -8.523 -4.091 1.00 0.00 C ATOM 1246 O LYS A 78 14.954 -9.056 -4.564 1.00 0.00 O ATOM 1247 CB LYS A 78 15.281 -7.663 -2.077 1.00 0.00 C ATOM 1248 CG LYS A 78 15.128 -6.537 -1.052 1.00 0.00 C ATOM 1249 CD LYS A 78 15.487 -5.182 -1.669 1.00 0.00 C ATOM 1250 CE LYS A 78 16.123 -4.258 -0.629 1.00 0.00 C ATOM 1251 NZ LYS A 78 16.988 -3.255 -1.289 1.00 0.00 N ATOM 0 H LYS A 78 14.041 -9.631 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 78 13.282 -7.214 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.780 -8.515 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.915 -7.329 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.103 -6.513 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.771 -6.732 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.176 -5.328 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.590 -4.715 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.344 -3.755 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.710 -4.845 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.412 -2.635 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.742 -3.740 -1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.419 -2.684 -1.946 1.00 0.00 H new ATOM 1265 N ARG A 79 12.842 -8.274 -4.771 1.00 0.00 N ATOM 1266 CA ARG A 79 12.730 -8.624 -6.176 1.00 0.00 C ATOM 1267 C ARG A 79 12.933 -7.386 -7.051 1.00 0.00 C ATOM 1268 O ARG A 79 13.227 -6.304 -6.543 1.00 0.00 O ATOM 1269 CB ARG A 79 11.364 -9.241 -6.484 1.00 0.00 C ATOM 1270 CG ARG A 79 11.288 -10.684 -5.984 1.00 0.00 C ATOM 1271 CD ARG A 79 11.903 -11.649 -6.999 1.00 0.00 C ATOM 1272 NE ARG A 79 11.662 -13.048 -6.581 1.00 0.00 N ATOM 1273 CZ ARG A 79 11.817 -14.110 -7.382 1.00 0.00 C ATOM 1274 NH1 ARG A 79 12.215 -13.940 -8.651 1.00 0.00 N ATOM 1275 NH2 ARG A 79 11.575 -15.343 -6.916 1.00 0.00 N ATOM 0 H ARG A 79 12.012 -7.833 -4.374 1.00 0.00 H new ATOM 0 HA ARG A 79 13.505 -9.358 -6.396 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.579 -8.648 -6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.183 -9.215 -7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.811 -10.771 -5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.248 -10.955 -5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.471 -11.476 -7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.974 -11.466 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 79 11.358 -13.214 -5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.400 -13.002 -9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.333 -14.749 -9.261 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.272 -15.473 -5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.693 -16.151 -7.527 1.00 0.00 H new ATOM 1289 N LYS A 80 12.766 -7.585 -8.351 1.00 0.00 N ATOM 1290 CA LYS A 80 12.927 -6.497 -9.300 1.00 0.00 C ATOM 1291 C LYS A 80 11.811 -5.472 -9.090 1.00 0.00 C ATOM 1292 O LYS A 80 12.068 -4.272 -9.032 1.00 0.00 O ATOM 1293 CB LYS A 80 13.001 -7.041 -10.729 1.00 0.00 C ATOM 1294 CG LYS A 80 14.455 -7.193 -11.183 1.00 0.00 C ATOM 1295 CD LYS A 80 14.880 -8.663 -11.173 1.00 0.00 C ATOM 1296 CE LYS A 80 16.110 -8.884 -12.056 1.00 0.00 C ATOM 1297 NZ LYS A 80 16.260 -10.318 -12.388 1.00 0.00 N ATOM 0 H LYS A 80 12.521 -8.483 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 80 13.871 -5.979 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.497 -8.006 -10.781 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.473 -6.369 -11.406 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.571 -6.784 -12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.107 -6.617 -10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.100 -8.975 -10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.058 -9.285 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.017 -8.301 -12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 80 17.003 -8.529 -11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.100 -10.450 -12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.371 -10.867 -11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.415 -10.646 -12.898 1.00 0.00 H new ATOM 1311 N GLY A 81 10.594 -5.985 -8.980 1.00 0.00 N ATOM 1312 CA GLY A 81 9.436 -5.130 -8.777 1.00 0.00 C ATOM 1313 C GLY A 81 9.494 -4.447 -7.409 1.00 0.00 C ATOM 1314 O GLY A 81 8.690 -3.563 -7.119 1.00 0.00 O ATOM 0 H GLY A 81 10.385 -6.982 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.394 -4.376 -9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.524 -5.722 -8.854 1.00 0.00 H new ATOM 1318 N PHE A 82 10.451 -4.885 -6.604 1.00 0.00 N ATOM 1319 CA PHE A 82 10.622 -4.327 -5.273 1.00 0.00 C ATOM 1320 C PHE A 82 11.403 -3.012 -5.326 1.00 0.00 C ATOM 1321 O PHE A 82 10.945 -1.993 -4.808 1.00 0.00 O ATOM 1322 CB PHE A 82 11.423 -5.349 -4.460 1.00 0.00 C ATOM 1323 CG PHE A 82 11.499 -5.031 -2.965 1.00 0.00 C ATOM 1324 CD1 PHE A 82 11.953 -3.819 -2.551 1.00 0.00 C ATOM 1325 CD2 PHE A 82 11.112 -5.960 -2.053 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.025 -3.523 -1.163 1.00 0.00 C ATOM 1327 CE2 PHE A 82 11.183 -5.667 -0.665 1.00 0.00 C ATOM 1328 CZ PHE A 82 11.638 -4.454 -0.250 1.00 0.00 C ATOM 0 H PHE A 82 11.116 -5.619 -6.848 1.00 0.00 H new ATOM 0 HA PHE A 82 9.649 -4.123 -4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.974 -6.334 -4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.435 -5.405 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.259 -3.080 -3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.750 -6.922 -2.383 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.387 -2.560 -0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.876 -6.406 0.060 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.692 -4.230 0.805 1.00 0.00 H new ATOM 1338 N SER A 83 12.565 -3.074 -5.958 1.00 0.00 N ATOM 1339 CA SER A 83 13.412 -1.902 -6.085 1.00 0.00 C ATOM 1340 C SER A 83 12.698 -0.829 -6.911 1.00 0.00 C ATOM 1341 O SER A 83 12.558 0.310 -6.466 1.00 0.00 O ATOM 1342 CB SER A 83 14.754 -2.258 -6.726 1.00 0.00 C ATOM 1343 OG SER A 83 15.746 -1.266 -6.475 1.00 0.00 O ATOM 0 H SER A 83 12.940 -3.919 -6.388 1.00 0.00 H new ATOM 0 HA SER A 83 13.610 -1.513 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.096 -3.218 -6.341 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.622 -2.375 -7.802 1.00 0.00 H new ATOM 0 HG SER A 83 16.589 -1.531 -6.899 1.00 0.00 H new ATOM 1349 N GLU A 84 12.268 -1.230 -8.097 1.00 0.00 N ATOM 1350 CA GLU A 84 11.573 -0.316 -8.989 1.00 0.00 C ATOM 1351 C GLU A 84 10.175 -0.007 -8.447 1.00 0.00 C ATOM 1352 O GLU A 84 9.532 0.944 -8.888 1.00 0.00 O ATOM 1353 CB GLU A 84 11.496 -0.885 -10.407 1.00 0.00 C ATOM 1354 CG GLU A 84 10.230 -1.723 -10.596 1.00 0.00 C ATOM 1355 CD GLU A 84 10.283 -2.512 -11.904 1.00 0.00 C ATOM 1356 OE1 GLU A 84 10.111 -1.871 -12.962 1.00 0.00 O ATOM 1357 OE2 GLU A 84 10.496 -3.741 -11.816 1.00 0.00 O ATOM 0 H GLU A 84 12.387 -2.175 -8.462 1.00 0.00 H new ATOM 0 HA GLU A 84 12.139 0.615 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.508 -0.070 -11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.375 -1.499 -10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.116 -2.410 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.356 -1.072 -10.595 1.00 0.00 H new ATOM 1364 N GLY A 85 9.747 -0.827 -7.499 1.00 0.00 N ATOM 1365 CA GLY A 85 8.438 -0.653 -6.893 1.00 0.00 C ATOM 1366 C GLY A 85 8.455 0.485 -5.870 1.00 0.00 C ATOM 1367 O GLY A 85 7.736 1.472 -6.022 1.00 0.00 O ATOM 0 H GLY A 85 10.284 -1.614 -7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.700 -0.440 -7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.132 -1.579 -6.407 1.00 0.00 H new ATOM 1371 N LEU A 86 9.284 0.310 -4.851 1.00 0.00 N ATOM 1372 CA LEU A 86 9.404 1.310 -3.804 1.00 0.00 C ATOM 1373 C LEU A 86 9.813 2.646 -4.425 1.00 0.00 C ATOM 1374 O LEU A 86 9.455 3.707 -3.917 1.00 0.00 O ATOM 1375 CB LEU A 86 10.354 0.825 -2.707 1.00 0.00 C ATOM 1376 CG LEU A 86 11.170 1.908 -1.999 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.182 2.544 -2.956 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.257 2.952 -1.357 1.00 0.00 C ATOM 0 H LEU A 86 9.879 -0.509 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 86 8.443 1.467 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.770 0.291 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.045 0.105 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 86 11.736 1.438 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.749 3.311 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.864 1.778 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.654 2.996 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.863 3.710 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.646 3.423 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.610 2.469 -0.625 1.00 0.00 H new ATOM 1390 N TRP A 87 10.558 2.551 -5.516 1.00 0.00 N ATOM 1391 CA TRP A 87 11.022 3.740 -6.212 1.00 0.00 C ATOM 1392 C TRP A 87 9.896 4.216 -7.131 1.00 0.00 C ATOM 1393 O TRP A 87 9.867 5.379 -7.534 1.00 0.00 O ATOM 1394 CB TRP A 87 12.327 3.465 -6.959 1.00 0.00 C ATOM 1395 CG TRP A 87 13.500 4.339 -6.507 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.804 5.581 -6.907 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.516 3.983 -5.546 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.940 6.049 -6.276 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.385 5.047 -5.423 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.696 2.801 -4.806 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.494 5.037 -4.568 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.807 2.806 -3.956 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.692 3.869 -3.820 1.00 0.00 C ATOM 0 H TRP A 87 10.852 1.669 -5.936 1.00 0.00 H new ATOM 0 HA TRP A 87 11.256 4.535 -5.504 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.596 2.417 -6.826 1.00 0.00 H new ATOM 0 HB3 TRP A 87 12.162 3.619 -8.025 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.234 6.144 -7.631 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.373 6.963 -6.411 1.00 0.00 H new ATOM 0 HE3 TRP A 87 14.029 1.956 -4.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 17.160 5.883 -4.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.990 1.922 -3.364 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.528 3.795 -3.141 1.00 0.00 H new ATOM 1414 N GLU A 88 8.994 3.295 -7.438 1.00 0.00 N ATOM 1415 CA GLU A 88 7.869 3.608 -8.303 1.00 0.00 C ATOM 1416 C GLU A 88 6.859 4.487 -7.564 1.00 0.00 C ATOM 1417 O GLU A 88 6.097 5.223 -8.189 1.00 0.00 O ATOM 1418 CB GLU A 88 7.206 2.330 -8.823 1.00 0.00 C ATOM 1419 CG GLU A 88 7.584 2.071 -10.282 1.00 0.00 C ATOM 1420 CD GLU A 88 6.784 2.973 -11.225 1.00 0.00 C ATOM 1421 OE1 GLU A 88 7.276 4.093 -11.490 1.00 0.00 O ATOM 1422 OE2 GLU A 88 5.702 2.525 -11.658 1.00 0.00 O ATOM 0 H GLU A 88 9.019 2.332 -7.103 1.00 0.00 H new ATOM 0 HA GLU A 88 8.241 4.162 -9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.510 1.482 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.123 2.416 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.650 2.248 -10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.399 1.026 -10.529 1.00 0.00 H new ATOM 1429 N ILE A 89 6.886 4.384 -6.243 1.00 0.00 N ATOM 1430 CA ILE A 89 5.983 5.161 -5.413 1.00 0.00 C ATOM 1431 C ILE A 89 6.724 6.383 -4.866 1.00 0.00 C ATOM 1432 O ILE A 89 6.207 7.498 -4.913 1.00 0.00 O ATOM 1433 CB ILE A 89 5.363 4.279 -4.326 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.761 5.132 -3.206 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.380 3.270 -3.792 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.783 5.380 -2.095 1.00 0.00 C ATOM 0 H ILE A 89 7.520 3.773 -5.727 1.00 0.00 H new ATOM 0 HA ILE A 89 5.147 5.534 -6.004 1.00 0.00 H new ATOM 0 HB ILE A 89 4.548 3.709 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.422 6.085 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.885 4.631 -2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.914 2.656 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.721 2.632 -4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.231 3.802 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.329 5.988 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.102 4.426 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.647 5.902 -2.505 1.00 0.00 H new ATOM 1448 N GLU A 90 7.922 6.130 -4.359 1.00 0.00 N ATOM 1449 CA GLU A 90 8.739 7.197 -3.805 1.00 0.00 C ATOM 1450 C GLU A 90 9.265 8.099 -4.922 1.00 0.00 C ATOM 1451 O GLU A 90 9.495 9.288 -4.709 1.00 0.00 O ATOM 1452 CB GLU A 90 9.889 6.628 -2.971 1.00 0.00 C ATOM 1453 CG GLU A 90 9.442 6.353 -1.535 1.00 0.00 C ATOM 1454 CD GLU A 90 9.137 7.659 -0.796 1.00 0.00 C ATOM 1455 OE1 GLU A 90 10.037 8.527 -0.784 1.00 0.00 O ATOM 1456 OE2 GLU A 90 8.012 7.759 -0.259 1.00 0.00 O ATOM 0 H GLU A 90 8.346 5.203 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 90 8.116 7.799 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.251 5.706 -3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.723 7.330 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.555 5.719 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.222 5.805 -1.006 1.00 0.00 H new ATOM 1463 N ASN A 91 9.441 7.498 -6.091 1.00 0.00 N ATOM 1464 CA ASN A 91 9.937 8.233 -7.242 1.00 0.00 C ATOM 1465 C ASN A 91 9.083 7.892 -8.465 1.00 0.00 C ATOM 1466 O ASN A 91 9.566 7.268 -9.409 1.00 0.00 O ATOM 1467 CB ASN A 91 11.385 7.855 -7.556 1.00 0.00 C ATOM 1468 CG ASN A 91 12.236 7.842 -6.284 1.00 0.00 C ATOM 1469 OD1 ASN A 91 13.214 8.559 -6.154 1.00 0.00 O ATOM 1470 ND2 ASN A 91 11.809 6.990 -5.357 1.00 0.00 N ATOM 0 H ASN A 91 9.249 6.511 -6.265 1.00 0.00 H new ATOM 0 HA ASN A 91 9.885 9.297 -7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.414 6.873 -8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.803 8.564 -8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 91 12.308 6.907 -4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.982 6.419 -5.531 1.00 0.00 H new ATOM 1477 N ASN A 92 7.828 8.313 -8.409 1.00 0.00 N ATOM 1478 CA ASN A 92 6.903 8.059 -9.499 1.00 0.00 C ATOM 1479 C ASN A 92 7.158 9.066 -10.623 1.00 0.00 C ATOM 1480 O ASN A 92 7.681 10.151 -10.381 1.00 0.00 O ATOM 1481 CB ASN A 92 5.453 8.219 -9.041 1.00 0.00 C ATOM 1482 CG ASN A 92 5.276 9.500 -8.222 1.00 0.00 C ATOM 1483 OD1 ASN A 92 6.222 10.208 -7.914 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.014 9.757 -7.887 1.00 0.00 N ATOM 0 H ASN A 92 7.430 8.829 -7.624 1.00 0.00 H new ATOM 0 HA ASN A 92 7.061 7.037 -9.843 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.794 8.244 -9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.159 7.357 -8.442 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.791 10.588 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.270 9.123 -8.177 1.00 0.00 H new