USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=14 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 78 LYS NZ :NH3+ 170:sc= 0.0225 (180deg=0.0121) USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 MET CE :methyl -121:sc= -0.203 (180deg=-0.293) USER MOD Set 2.2: A 43 ASN : amide:sc= -1.69 K(o=-1.9,f=-4.4!) USER MOD Single : A 10 TYR OH : rot 121:sc= 1.13 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.236 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (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 -140:sc= -4.06! USER MOD Single : A 25 HIS : no HE2:sc= -7.78! C(o=-7.8!,f=-11!) 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 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 165:sc= -0.164 USER MOD Single : A 46 GLN : amide:sc= -2.08 K(o=-2.1,f=-4.7!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 53 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.081) USER MOD Single : A 55 THR OG1 : rot 44:sc= -4.35! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.699 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -4.37! K(o=-4.4!,f=-0.48) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -11.1! C(o=-11!,f=-7.5!) USER MOD Single : A 92 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.42!) USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 10 -7.008 4.359 10.075 1.00 0.00 N ATOM 157 CA TYR A 10 -6.417 4.555 8.762 1.00 0.00 C ATOM 158 C TYR A 10 -7.495 4.621 7.679 1.00 0.00 C ATOM 159 O TYR A 10 -8.345 3.735 7.588 1.00 0.00 O ATOM 160 CB TYR A 10 -5.535 3.330 8.510 1.00 0.00 C ATOM 161 CG TYR A 10 -6.290 2.123 7.949 1.00 0.00 C ATOM 162 CD1 TYR A 10 -7.248 1.493 8.715 1.00 0.00 C ATOM 163 CD2 TYR A 10 -6.011 1.665 6.678 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.959 0.356 8.187 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.723 0.530 6.150 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.661 -0.068 6.931 1.00 0.00 C ATOM 167 OH TYR A 10 -8.333 -1.141 6.433 1.00 0.00 O ATOM 0 HA TYR A 10 -5.857 5.489 8.730 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.741 3.604 7.815 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.055 3.042 9.445 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.465 1.851 9.710 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.259 2.157 6.079 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.711 -0.147 8.776 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.516 0.162 5.156 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.800 -0.882 5.611 1.00 0.00 H new ATOM 177 N LYS A 11 -7.428 5.680 6.886 1.00 0.00 N ATOM 178 CA LYS A 11 -8.390 5.874 5.814 1.00 0.00 C ATOM 179 C LYS A 11 -7.642 6.157 4.509 1.00 0.00 C ATOM 180 O LYS A 11 -6.412 6.188 4.488 1.00 0.00 O ATOM 181 CB LYS A 11 -9.401 6.958 6.190 1.00 0.00 C ATOM 182 CG LYS A 11 -10.706 6.338 6.697 1.00 0.00 C ATOM 183 CD LYS A 11 -11.871 7.318 6.549 1.00 0.00 C ATOM 184 CE LYS A 11 -12.120 7.656 5.078 1.00 0.00 C ATOM 185 NZ LYS A 11 -11.976 9.110 4.848 1.00 0.00 N ATOM 0 H LYS A 11 -6.723 6.413 6.964 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.974 4.967 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.978 7.604 6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.605 7.586 5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.920 5.426 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.596 6.054 7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.772 6.886 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.656 8.231 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.416 7.111 4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.120 7.334 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.148 9.321 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.665 9.624 5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.013 9.408 5.104 1.00 0.00 H new ATOM 199 N CYS A 12 -8.415 6.359 3.452 1.00 0.00 N ATOM 200 CA CYS A 12 -7.842 6.639 2.146 1.00 0.00 C ATOM 201 C CYS A 12 -6.695 7.637 2.331 1.00 0.00 C ATOM 202 O CYS A 12 -6.787 8.550 3.150 1.00 0.00 O ATOM 203 CB CYS A 12 -8.895 7.155 1.165 1.00 0.00 C ATOM 204 SG CYS A 12 -8.093 7.677 -0.395 1.00 0.00 S ATOM 0 H CYS A 12 -9.434 6.334 3.473 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.456 5.718 1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.629 6.375 0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.434 7.994 1.605 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.996 8.112 -1.223 1.00 0.00 H new ATOM 210 N GLY A 13 -5.643 7.429 1.553 1.00 0.00 N ATOM 211 CA GLY A 13 -4.480 8.299 1.618 1.00 0.00 C ATOM 212 C GLY A 13 -3.351 7.643 2.413 1.00 0.00 C ATOM 213 O GLY A 13 -2.186 8.006 2.258 1.00 0.00 O ATOM 0 H GLY A 13 -5.571 6.671 0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.135 8.527 0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.755 9.246 2.083 1.00 0.00 H new ATOM 217 N ASP A 14 -3.733 6.688 3.250 1.00 0.00 N ATOM 218 CA ASP A 14 -2.767 5.980 4.070 1.00 0.00 C ATOM 219 C ASP A 14 -2.012 4.970 3.203 1.00 0.00 C ATOM 220 O ASP A 14 -2.610 4.296 2.365 1.00 0.00 O ATOM 221 CB ASP A 14 -3.459 5.211 5.197 1.00 0.00 C ATOM 222 CG ASP A 14 -2.707 3.975 5.693 1.00 0.00 C ATOM 223 OD1 ASP A 14 -2.525 3.051 4.869 1.00 0.00 O ATOM 224 OD2 ASP A 14 -2.331 3.979 6.886 1.00 0.00 O ATOM 0 H ASP A 14 -4.700 6.389 3.377 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.087 6.715 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.611 5.887 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.447 4.903 4.853 1.00 0.00 H new ATOM 229 N LEU A 15 -0.710 4.895 3.433 1.00 0.00 N ATOM 230 CA LEU A 15 0.132 3.978 2.683 1.00 0.00 C ATOM 231 C LEU A 15 0.657 2.890 3.622 1.00 0.00 C ATOM 232 O LEU A 15 0.985 3.167 4.776 1.00 0.00 O ATOM 233 CB LEU A 15 1.235 4.743 1.950 1.00 0.00 C ATOM 234 CG LEU A 15 2.324 3.888 1.296 1.00 0.00 C ATOM 235 CD1 LEU A 15 1.717 2.893 0.305 1.00 0.00 C ATOM 236 CD2 LEU A 15 3.393 4.766 0.644 1.00 0.00 C ATOM 0 H LEU A 15 -0.217 5.455 4.129 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.447 3.477 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.772 5.358 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.710 5.423 2.657 1.00 0.00 H new ATOM 0 HG LEU A 15 2.817 3.307 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.511 2.298 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.023 2.235 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.183 3.436 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.154 4.134 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.933 5.391 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.855 5.400 1.401 1.00 0.00 H new ATOM 248 N VAL A 16 0.721 1.677 3.095 1.00 0.00 N ATOM 249 CA VAL A 16 1.201 0.547 3.871 1.00 0.00 C ATOM 250 C VAL A 16 1.541 -0.607 2.927 1.00 0.00 C ATOM 251 O VAL A 16 1.363 -0.496 1.714 1.00 0.00 O ATOM 252 CB VAL A 16 0.167 0.167 4.933 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.268 1.087 6.152 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.247 0.179 4.353 1.00 0.00 C ATOM 0 H VAL A 16 0.448 1.452 2.138 1.00 0.00 H new ATOM 0 HA VAL A 16 2.115 0.809 4.404 1.00 0.00 H new ATOM 0 HB VAL A 16 0.384 -0.849 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.478 0.795 6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.263 1.004 6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.091 2.118 5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.961 -0.095 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.480 1.177 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.310 -0.537 3.533 1.00 0.00 H new ATOM 264 N PHE A 17 2.025 -1.690 3.517 1.00 0.00 N ATOM 265 CA PHE A 17 2.392 -2.864 2.744 1.00 0.00 C ATOM 266 C PHE A 17 1.223 -3.848 2.653 1.00 0.00 C ATOM 267 O PHE A 17 0.735 -4.332 3.673 1.00 0.00 O ATOM 268 CB PHE A 17 3.553 -3.537 3.476 1.00 0.00 C ATOM 269 CG PHE A 17 4.932 -3.191 2.909 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.554 -2.043 3.286 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.534 -4.032 2.027 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.833 -1.721 2.759 1.00 0.00 C ATOM 273 CE2 PHE A 17 6.813 -3.712 1.498 1.00 0.00 C ATOM 274 CZ PHE A 17 7.435 -2.563 1.876 1.00 0.00 C ATOM 0 H PHE A 17 2.172 -1.779 4.522 1.00 0.00 H new ATOM 0 HA PHE A 17 2.666 -2.571 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.521 -3.250 4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.416 -4.618 3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.075 -1.375 3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.039 -4.944 1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.327 -0.809 3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.291 -4.380 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.408 -2.319 1.475 1.00 0.00 H new ATOM 284 N ALA A 18 0.809 -4.112 1.424 1.00 0.00 N ATOM 285 CA ALA A 18 -0.293 -5.030 1.186 1.00 0.00 C ATOM 286 C ALA A 18 0.251 -6.455 1.074 1.00 0.00 C ATOM 287 O ALA A 18 1.368 -6.662 0.602 1.00 0.00 O ATOM 288 CB ALA A 18 -1.057 -4.597 -0.068 1.00 0.00 C ATOM 0 H ALA A 18 1.216 -3.707 0.581 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.996 -5.010 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.883 -5.285 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.448 -3.590 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.384 -4.607 -0.926 1.00 0.00 H new ATOM 294 N LYS A 19 -0.564 -7.402 1.519 1.00 0.00 N ATOM 295 CA LYS A 19 -0.179 -8.801 1.475 1.00 0.00 C ATOM 296 C LYS A 19 -1.368 -9.639 1.001 1.00 0.00 C ATOM 297 O LYS A 19 -2.410 -9.666 1.652 1.00 0.00 O ATOM 298 CB LYS A 19 0.384 -9.244 2.826 1.00 0.00 C ATOM 299 CG LYS A 19 1.039 -10.623 2.723 1.00 0.00 C ATOM 300 CD LYS A 19 2.562 -10.504 2.637 1.00 0.00 C ATOM 301 CE LYS A 19 3.181 -11.784 2.071 1.00 0.00 C ATOM 302 NZ LYS A 19 3.046 -12.897 3.038 1.00 0.00 N ATOM 0 H LYS A 19 -1.489 -7.226 1.911 1.00 0.00 H new ATOM 0 HA LYS A 19 0.625 -8.952 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.116 -8.515 3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.416 -9.272 3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.766 -11.224 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.661 -11.144 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.829 -9.657 2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.971 -10.305 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.692 -12.048 1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.234 -11.617 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.471 -13.758 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.533 -12.649 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.039 -13.067 3.233 1.00 0.00 H new ATOM 316 N MET A 20 -1.172 -10.301 -0.130 1.00 0.00 N ATOM 317 CA MET A 20 -2.215 -11.137 -0.699 1.00 0.00 C ATOM 318 C MET A 20 -1.654 -12.489 -1.141 1.00 0.00 C ATOM 319 O MET A 20 -0.441 -12.659 -1.243 1.00 0.00 O ATOM 320 CB MET A 20 -2.840 -10.425 -1.901 1.00 0.00 C ATOM 321 CG MET A 20 -4.308 -10.819 -2.068 1.00 0.00 C ATOM 322 SD MET A 20 -5.205 -9.507 -2.879 1.00 0.00 S ATOM 323 CE MET A 20 -5.557 -10.290 -4.442 1.00 0.00 C ATOM 0 H MET A 20 -0.306 -10.275 -0.668 1.00 0.00 H new ATOM 0 HA MET A 20 -2.972 -11.312 0.065 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.762 -9.346 -1.770 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.287 -10.677 -2.806 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.382 -11.736 -2.652 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.751 -11.025 -1.093 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.117 -9.602 -5.075 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.622 -10.556 -4.934 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.147 -11.191 -4.273 1.00 0.00 H new ATOM 333 N LYS A 21 -2.565 -13.418 -1.390 1.00 0.00 N ATOM 334 CA LYS A 21 -2.176 -14.752 -1.819 1.00 0.00 C ATOM 335 C LYS A 21 -1.305 -14.646 -3.072 1.00 0.00 C ATOM 336 O LYS A 21 -1.618 -13.888 -3.989 1.00 0.00 O ATOM 337 CB LYS A 21 -3.411 -15.638 -2.002 1.00 0.00 C ATOM 338 CG LYS A 21 -3.535 -16.646 -0.859 1.00 0.00 C ATOM 339 CD LYS A 21 -2.759 -17.927 -1.173 1.00 0.00 C ATOM 340 CE LYS A 21 -2.585 -18.784 0.083 1.00 0.00 C ATOM 341 NZ LYS A 21 -3.630 -19.830 0.146 1.00 0.00 N ATOM 0 H LYS A 21 -3.571 -13.274 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.574 -15.238 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.306 -15.017 -2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.346 -16.167 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.157 -16.204 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.585 -16.884 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.286 -18.498 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.781 -17.673 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.598 -19.247 0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.639 -18.154 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.497 -20.402 1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.568 -19.382 0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.560 -20.442 -0.692 1.00 0.00 H new ATOM 355 N GLY A 22 -0.228 -15.416 -3.072 1.00 0.00 N ATOM 356 CA GLY A 22 0.692 -15.419 -4.198 1.00 0.00 C ATOM 357 C GLY A 22 1.339 -14.044 -4.380 1.00 0.00 C ATOM 358 O GLY A 22 2.061 -13.819 -5.350 1.00 0.00 O ATOM 0 H GLY A 22 0.029 -16.043 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.465 -16.171 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.159 -15.698 -5.107 1.00 0.00 H new ATOM 362 N TYR A 23 1.058 -13.162 -3.432 1.00 0.00 N ATOM 363 CA TYR A 23 1.603 -11.817 -3.477 1.00 0.00 C ATOM 364 C TYR A 23 2.316 -11.471 -2.167 1.00 0.00 C ATOM 365 O TYR A 23 1.686 -11.395 -1.114 1.00 0.00 O ATOM 366 CB TYR A 23 0.405 -10.881 -3.652 1.00 0.00 C ATOM 367 CG TYR A 23 0.737 -9.402 -3.455 1.00 0.00 C ATOM 368 CD1 TYR A 23 1.792 -8.833 -4.140 1.00 0.00 C ATOM 369 CD2 TYR A 23 -0.017 -8.634 -2.590 1.00 0.00 C ATOM 370 CE1 TYR A 23 2.104 -7.440 -3.955 1.00 0.00 C ATOM 371 CE2 TYR A 23 0.295 -7.240 -2.405 1.00 0.00 C ATOM 372 CZ TYR A 23 1.341 -6.713 -3.096 1.00 0.00 C ATOM 373 OH TYR A 23 1.636 -5.396 -2.920 1.00 0.00 O ATOM 0 H TYR A 23 0.460 -13.353 -2.628 1.00 0.00 H new ATOM 0 HA TYR A 23 2.328 -11.724 -4.286 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.009 -11.020 -4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.372 -11.166 -2.943 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.384 -9.433 -4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.841 -9.079 -2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.925 -6.983 -4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.288 -6.628 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 23 1.537 -5.162 -1.973 1.00 0.00 H new ATOM 383 N PRO A 24 3.657 -11.267 -2.279 1.00 0.00 N ATOM 384 CA PRO A 24 4.463 -10.931 -1.117 1.00 0.00 C ATOM 385 C PRO A 24 4.239 -9.476 -0.698 1.00 0.00 C ATOM 386 O PRO A 24 3.826 -8.649 -1.508 1.00 0.00 O ATOM 387 CB PRO A 24 5.895 -11.216 -1.536 1.00 0.00 C ATOM 388 CG PRO A 24 5.884 -11.255 -3.056 1.00 0.00 C ATOM 389 CD PRO A 24 4.437 -11.348 -3.510 1.00 0.00 C ATOM 0 HA PRO A 24 4.197 -11.515 -0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.570 -10.443 -1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.242 -12.163 -1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.355 -10.361 -3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.454 -12.110 -3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.184 -10.538 -4.194 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.247 -12.282 -4.039 1.00 0.00 H new ATOM 397 N HIS A 25 4.524 -9.210 0.569 1.00 0.00 N ATOM 398 CA HIS A 25 4.360 -7.869 1.106 1.00 0.00 C ATOM 399 C HIS A 25 4.976 -6.852 0.144 1.00 0.00 C ATOM 400 O HIS A 25 6.180 -6.880 -0.109 1.00 0.00 O ATOM 401 CB HIS A 25 4.940 -7.776 2.519 1.00 0.00 C ATOM 402 CG HIS A 25 3.913 -7.480 3.586 1.00 0.00 C ATOM 403 ND1 HIS A 25 2.702 -6.870 3.311 1.00 0.00 N ATOM 404 CD2 HIS A 25 3.929 -7.717 4.928 1.00 0.00 C ATOM 405 CE1 HIS A 25 2.027 -6.749 4.446 1.00 0.00 C ATOM 406 NE2 HIS A 25 2.790 -7.274 5.447 1.00 0.00 N ATOM 0 H HIS A 25 4.867 -9.899 1.238 1.00 0.00 H new ATOM 0 HA HIS A 25 3.299 -7.636 1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.438 -8.716 2.759 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.703 -6.997 2.537 1.00 0.00 H new ATOM 0 HD1 HIS A 25 2.383 -6.565 2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.732 -8.186 5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.046 -6.312 4.558 1.00 0.00 H new ATOM 414 N TRP A 26 4.122 -5.977 -0.368 1.00 0.00 N ATOM 415 CA TRP A 26 4.569 -4.951 -1.297 1.00 0.00 C ATOM 416 C TRP A 26 3.950 -3.621 -0.865 1.00 0.00 C ATOM 417 O TRP A 26 2.943 -3.600 -0.159 1.00 0.00 O ATOM 418 CB TRP A 26 4.223 -5.331 -2.738 1.00 0.00 C ATOM 419 CG TRP A 26 5.441 -5.458 -3.657 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.819 -4.634 -4.642 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.429 -6.510 -3.634 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.975 -5.075 -5.255 1.00 0.00 N ATOM 423 CE2 TRP A 26 7.357 -6.252 -4.621 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.535 -7.641 -2.805 1.00 0.00 C ATOM 425 CZ2 TRP A 26 8.457 -7.079 -4.875 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.640 -8.458 -3.072 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.584 -8.212 -4.062 1.00 0.00 C ATOM 0 H TRP A 26 3.124 -5.957 -0.158 1.00 0.00 H new ATOM 0 HA TRP A 26 5.654 -4.854 -1.273 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.683 -6.278 -2.734 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.547 -4.581 -3.149 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.287 -3.737 -4.922 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.459 -4.621 -6.030 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.821 -7.862 -2.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.169 -6.856 -5.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.768 -9.342 -2.466 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.411 -8.891 -4.204 1.00 0.00 H new ATOM 438 N PRO A 27 4.597 -2.513 -1.317 1.00 0.00 N ATOM 439 CA PRO A 27 4.121 -1.180 -0.985 1.00 0.00 C ATOM 440 C PRO A 27 2.873 -0.826 -1.795 1.00 0.00 C ATOM 441 O PRO A 27 2.968 -0.505 -2.979 1.00 0.00 O ATOM 442 CB PRO A 27 5.297 -0.261 -1.272 1.00 0.00 C ATOM 443 CG PRO A 27 6.225 -1.042 -2.187 1.00 0.00 C ATOM 444 CD PRO A 27 5.792 -2.499 -2.154 1.00 0.00 C ATOM 0 HA PRO A 27 3.808 -1.091 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.964 0.661 -1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.805 0.022 -0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.176 -0.652 -3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.259 -0.943 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.578 -2.871 -3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.574 -3.135 -1.738 1.00 0.00 H new ATOM 452 N ALA A 28 1.733 -0.897 -1.126 1.00 0.00 N ATOM 453 CA ALA A 28 0.467 -0.587 -1.769 1.00 0.00 C ATOM 454 C ALA A 28 -0.217 0.556 -1.016 1.00 0.00 C ATOM 455 O ALA A 28 -0.103 0.656 0.204 1.00 0.00 O ATOM 456 CB ALA A 28 -0.399 -1.847 -1.826 1.00 0.00 C ATOM 0 H ALA A 28 1.659 -1.165 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 28 0.629 -0.256 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.348 -1.614 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.118 -2.619 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.585 -2.207 -0.814 1.00 0.00 H new ATOM 462 N ARG A 29 -0.913 1.390 -1.775 1.00 0.00 N ATOM 463 CA ARG A 29 -1.615 2.522 -1.195 1.00 0.00 C ATOM 464 C ARG A 29 -3.074 2.156 -0.918 1.00 0.00 C ATOM 465 O ARG A 29 -3.708 1.466 -1.716 1.00 0.00 O ATOM 466 CB ARG A 29 -1.569 3.735 -2.127 1.00 0.00 C ATOM 467 CG ARG A 29 -1.808 5.032 -1.350 1.00 0.00 C ATOM 468 CD ARG A 29 -2.765 5.955 -2.109 1.00 0.00 C ATOM 469 NE ARG A 29 -2.189 7.316 -2.198 1.00 0.00 N ATOM 470 CZ ARG A 29 -2.826 8.367 -2.734 1.00 0.00 C ATOM 471 NH1 ARG A 29 -4.061 8.219 -3.229 1.00 0.00 N ATOM 472 NH2 ARG A 29 -2.227 9.564 -2.771 1.00 0.00 N ATOM 0 H ARG A 29 -1.006 1.304 -2.787 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.117 2.777 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.601 3.779 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.324 3.629 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.221 4.801 -0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.859 5.542 -1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.947 5.562 -3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.729 5.991 -1.601 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.250 7.463 -1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.517 7.307 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.546 9.018 -3.637 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.287 9.676 -2.392 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.711 10.364 -3.179 1.00 0.00 H new ATOM 486 N ILE A 30 -3.567 2.634 0.216 1.00 0.00 N ATOM 487 CA ILE A 30 -4.939 2.366 0.608 1.00 0.00 C ATOM 488 C ILE A 30 -5.886 3.196 -0.262 1.00 0.00 C ATOM 489 O ILE A 30 -5.593 4.347 -0.580 1.00 0.00 O ATOM 490 CB ILE A 30 -5.121 2.598 2.110 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.856 1.423 2.760 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.823 3.931 2.377 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.337 1.421 2.375 1.00 0.00 C ATOM 0 H ILE A 30 -3.039 3.206 0.876 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.186 1.318 0.438 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.134 2.656 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.395 0.485 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.759 1.483 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.940 4.072 3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.225 4.745 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.804 3.927 1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.835 0.576 2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.801 2.350 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.431 1.336 1.292 1.00 0.00 H new ATOM 505 N ASP A 31 -7.000 2.578 -0.622 1.00 0.00 N ATOM 506 CA ASP A 31 -7.991 3.245 -1.449 1.00 0.00 C ATOM 507 C ASP A 31 -9.391 2.793 -1.026 1.00 0.00 C ATOM 508 O ASP A 31 -9.577 1.654 -0.603 1.00 0.00 O ATOM 509 CB ASP A 31 -7.806 2.889 -2.926 1.00 0.00 C ATOM 510 CG ASP A 31 -6.802 3.764 -3.680 1.00 0.00 C ATOM 511 OD1 ASP A 31 -7.074 4.979 -3.787 1.00 0.00 O ATOM 512 OD2 ASP A 31 -5.784 3.196 -4.133 1.00 0.00 O ATOM 0 H ASP A 31 -7.239 1.623 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.869 4.320 -1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.485 1.850 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.773 2.958 -3.425 1.00 0.00 H new ATOM 517 N GLU A 32 -10.338 3.710 -1.156 1.00 0.00 N ATOM 518 CA GLU A 32 -11.714 3.421 -0.792 1.00 0.00 C ATOM 519 C GLU A 32 -12.518 3.019 -2.031 1.00 0.00 C ATOM 520 O GLU A 32 -12.242 3.491 -3.133 1.00 0.00 O ATOM 521 CB GLU A 32 -12.358 4.614 -0.083 1.00 0.00 C ATOM 522 CG GLU A 32 -13.621 4.190 0.669 1.00 0.00 C ATOM 523 CD GLU A 32 -13.758 4.957 1.987 1.00 0.00 C ATOM 524 OE1 GLU A 32 -12.699 5.297 2.557 1.00 0.00 O ATOM 525 OE2 GLU A 32 -14.917 5.184 2.393 1.00 0.00 O ATOM 0 H GLU A 32 -10.179 4.654 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.715 2.584 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.646 5.054 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.607 5.384 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.497 4.370 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.587 3.119 0.869 1.00 0.00 H new ATOM 532 N MET A 33 -13.496 2.154 -1.807 1.00 0.00 N ATOM 533 CA MET A 33 -14.341 1.685 -2.892 1.00 0.00 C ATOM 534 C MET A 33 -15.389 2.735 -3.265 1.00 0.00 C ATOM 535 O MET A 33 -16.225 3.102 -2.442 1.00 0.00 O ATOM 536 CB MET A 33 -15.043 0.391 -2.469 1.00 0.00 C ATOM 537 CG MET A 33 -16.064 0.658 -1.363 1.00 0.00 C ATOM 538 SD MET A 33 -16.132 -0.733 -0.247 1.00 0.00 S ATOM 539 CE MET A 33 -17.120 -1.861 -1.216 1.00 0.00 C ATOM 0 H MET A 33 -13.722 1.766 -0.891 1.00 0.00 H new ATOM 0 HA MET A 33 -13.713 1.501 -3.763 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.542 -0.054 -3.330 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.304 -0.331 -2.120 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.792 1.561 -0.816 1.00 0.00 H new ATOM 0 HG3 MET A 33 -17.047 0.833 -1.799 1.00 0.00 H new ATOM 0 HE1 MET A 33 -18.022 -2.123 -0.662 1.00 0.00 H new ATOM 0 HE2 MET A 33 -17.397 -1.386 -2.157 1.00 0.00 H new ATOM 0 HE3 MET A 33 -16.545 -2.764 -1.421 1.00 0.00 H new ATOM 549 N PRO A 34 -15.307 3.200 -4.541 1.00 0.00 N ATOM 550 CA PRO A 34 -16.238 4.201 -5.032 1.00 0.00 C ATOM 551 C PRO A 34 -17.611 3.585 -5.309 1.00 0.00 C ATOM 552 O PRO A 34 -17.780 2.371 -5.215 1.00 0.00 O ATOM 553 CB PRO A 34 -15.581 4.771 -6.279 1.00 0.00 C ATOM 554 CG PRO A 34 -14.534 3.752 -6.701 1.00 0.00 C ATOM 555 CD PRO A 34 -14.331 2.787 -5.543 1.00 0.00 C ATOM 0 HA PRO A 34 -16.431 4.988 -4.303 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.314 4.928 -7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.123 5.738 -6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.860 3.216 -7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.597 4.249 -6.953 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.495 1.755 -5.854 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.315 2.845 -5.153 1.00 0.00 H new ATOM 563 N GLU A 35 -18.556 4.451 -5.643 1.00 0.00 N ATOM 564 CA GLU A 35 -19.909 4.006 -5.933 1.00 0.00 C ATOM 565 C GLU A 35 -20.159 4.019 -7.443 1.00 0.00 C ATOM 566 O GLU A 35 -21.290 4.218 -7.887 1.00 0.00 O ATOM 567 CB GLU A 35 -20.938 4.867 -5.200 1.00 0.00 C ATOM 568 CG GLU A 35 -20.678 6.356 -5.439 1.00 0.00 C ATOM 569 CD GLU A 35 -21.881 7.200 -5.011 1.00 0.00 C ATOM 570 OE1 GLU A 35 -22.793 7.354 -5.853 1.00 0.00 O ATOM 571 OE2 GLU A 35 -21.862 7.670 -3.853 1.00 0.00 O ATOM 0 H GLU A 35 -18.412 5.458 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 35 -20.019 2.983 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.941 4.610 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.900 4.655 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.794 6.668 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.467 6.527 -6.495 1.00 0.00 H new ATOM 578 N ALA A 36 -19.087 3.805 -8.189 1.00 0.00 N ATOM 579 CA ALA A 36 -19.176 3.789 -9.641 1.00 0.00 C ATOM 580 C ALA A 36 -18.939 2.365 -10.147 1.00 0.00 C ATOM 581 O ALA A 36 -19.830 1.754 -10.734 1.00 0.00 O ATOM 582 CB ALA A 36 -18.176 4.789 -10.225 1.00 0.00 C ATOM 0 H ALA A 36 -18.151 3.641 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 36 -20.170 4.094 -9.968 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -18.243 4.777 -11.313 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.406 5.789 -9.858 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.166 4.514 -9.920 1.00 0.00 H new ATOM 588 N ALA A 37 -17.733 1.876 -9.899 1.00 0.00 N ATOM 589 CA ALA A 37 -17.367 0.535 -10.323 1.00 0.00 C ATOM 590 C ALA A 37 -18.248 -0.483 -9.597 1.00 0.00 C ATOM 591 O ALA A 37 -18.783 -1.400 -10.217 1.00 0.00 O ATOM 592 CB ALA A 37 -15.877 0.305 -10.061 1.00 0.00 C ATOM 0 H ALA A 37 -16.996 2.384 -9.410 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.534 0.413 -11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.603 -0.701 -10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.292 1.035 -10.621 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -15.673 0.417 -8.996 1.00 0.00 H new ATOM 598 N VAL A 38 -18.374 -0.286 -8.293 1.00 0.00 N ATOM 599 CA VAL A 38 -19.181 -1.174 -7.475 1.00 0.00 C ATOM 600 C VAL A 38 -19.895 -0.359 -6.395 1.00 0.00 C ATOM 601 O VAL A 38 -19.697 0.850 -6.291 1.00 0.00 O ATOM 602 CB VAL A 38 -18.311 -2.294 -6.902 1.00 0.00 C ATOM 603 CG1 VAL A 38 -17.662 -3.111 -8.020 1.00 0.00 C ATOM 604 CG2 VAL A 38 -17.253 -1.732 -5.949 1.00 0.00 C ATOM 0 H VAL A 38 -17.930 0.477 -7.782 1.00 0.00 H new ATOM 0 HA VAL A 38 -19.950 -1.655 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 38 -18.957 -2.961 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.049 -3.900 -7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.438 -3.556 -8.643 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -17.036 -2.460 -8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.648 -2.548 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.613 -1.033 -6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -17.744 -1.214 -5.125 1.00 0.00 H new ATOM 614 N LYS A 39 -20.714 -1.054 -5.619 1.00 0.00 N ATOM 615 CA LYS A 39 -21.459 -0.410 -4.550 1.00 0.00 C ATOM 616 C LYS A 39 -20.482 0.114 -3.497 1.00 0.00 C ATOM 617 O LYS A 39 -19.453 -0.509 -3.233 1.00 0.00 O ATOM 618 CB LYS A 39 -22.519 -1.359 -3.988 1.00 0.00 C ATOM 619 CG LYS A 39 -23.351 -1.979 -5.112 1.00 0.00 C ATOM 620 CD LYS A 39 -23.047 -3.471 -5.262 1.00 0.00 C ATOM 621 CE LYS A 39 -23.182 -4.195 -3.921 1.00 0.00 C ATOM 622 NZ LYS A 39 -23.695 -5.568 -4.123 1.00 0.00 N ATOM 0 H LYS A 39 -20.878 -2.057 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 39 -22.007 0.451 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -22.037 -2.148 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -23.172 -0.817 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -24.412 -1.840 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -23.141 -1.466 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -23.728 -3.913 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -22.037 -3.603 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -22.214 -4.232 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -23.856 -3.641 -3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -23.781 -6.045 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -24.628 -5.526 -4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -23.037 -6.099 -4.729 1.00 0.00 H new ATOM 636 N SER A 40 -20.835 1.254 -2.922 1.00 0.00 N ATOM 637 CA SER A 40 -20.002 1.868 -1.902 1.00 0.00 C ATOM 638 C SER A 40 -20.510 1.488 -0.511 1.00 0.00 C ATOM 639 O SER A 40 -21.117 2.306 0.178 1.00 0.00 O ATOM 640 CB SER A 40 -19.974 3.390 -2.059 1.00 0.00 C ATOM 641 OG SER A 40 -19.205 4.018 -1.035 1.00 0.00 O ATOM 0 H SER A 40 -21.687 1.769 -3.143 1.00 0.00 H new ATOM 0 HA SER A 40 -18.984 1.497 -2.023 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.558 3.646 -3.034 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.993 3.776 -2.035 1.00 0.00 H new ATOM 0 HG SER A 40 -19.210 4.989 -1.171 1.00 0.00 H new ATOM 647 N THR A 41 -20.244 0.244 -0.139 1.00 0.00 N ATOM 648 CA THR A 41 -20.665 -0.257 1.158 1.00 0.00 C ATOM 649 C THR A 41 -19.450 -0.633 2.007 1.00 0.00 C ATOM 650 O THR A 41 -18.318 -0.595 1.528 1.00 0.00 O ATOM 651 CB THR A 41 -21.629 -1.422 0.926 1.00 0.00 C ATOM 652 OG1 THR A 41 -22.680 -0.852 0.149 1.00 0.00 O ATOM 653 CG2 THR A 41 -22.322 -1.875 2.212 1.00 0.00 C ATOM 0 H THR A 41 -19.742 -0.432 -0.714 1.00 0.00 H new ATOM 0 HA THR A 41 -21.191 0.511 1.725 1.00 0.00 H new ATOM 0 HB THR A 41 -21.086 -2.261 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 41 -23.350 -1.539 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 41 -22.995 -2.704 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 41 -21.573 -2.199 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 41 -22.893 -1.046 2.629 1.00 0.00 H new ATOM 661 N ALA A 42 -19.724 -0.988 3.253 1.00 0.00 N ATOM 662 CA ALA A 42 -18.667 -1.372 4.172 1.00 0.00 C ATOM 663 C ALA A 42 -18.609 -2.898 4.269 1.00 0.00 C ATOM 664 O ALA A 42 -19.624 -3.547 4.521 1.00 0.00 O ATOM 665 CB ALA A 42 -18.909 -0.711 5.532 1.00 0.00 C ATOM 0 H ALA A 42 -20.664 -1.018 3.648 1.00 0.00 H new ATOM 0 HA ALA A 42 -17.699 -1.028 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -18.116 -0.999 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -18.912 0.373 5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -19.871 -1.036 5.928 1.00 0.00 H new ATOM 671 N ASN A 43 -17.413 -3.427 4.063 1.00 0.00 N ATOM 672 CA ASN A 43 -17.209 -4.864 4.123 1.00 0.00 C ATOM 673 C ASN A 43 -15.818 -5.202 3.580 1.00 0.00 C ATOM 674 O ASN A 43 -15.186 -6.154 4.033 1.00 0.00 O ATOM 675 CB ASN A 43 -18.242 -5.602 3.269 1.00 0.00 C ATOM 676 CG ASN A 43 -18.342 -4.985 1.873 1.00 0.00 C ATOM 677 OD1 ASN A 43 -17.483 -5.158 1.025 1.00 0.00 O ATOM 678 ND2 ASN A 43 -19.436 -4.253 1.684 1.00 0.00 N ATOM 0 H ASN A 43 -16.574 -2.886 3.854 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.310 -5.176 5.163 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -17.966 -6.653 3.187 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -19.216 -5.565 3.757 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -19.595 -3.796 0.786 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -20.116 -4.149 2.437 1.00 0.00 H new ATOM 685 N LYS A 44 -15.383 -4.400 2.619 1.00 0.00 N ATOM 686 CA LYS A 44 -14.080 -4.602 2.010 1.00 0.00 C ATOM 687 C LYS A 44 -13.482 -3.245 1.634 1.00 0.00 C ATOM 688 O LYS A 44 -14.204 -2.335 1.230 1.00 0.00 O ATOM 689 CB LYS A 44 -14.182 -5.577 0.834 1.00 0.00 C ATOM 690 CG LYS A 44 -14.754 -4.884 -0.404 1.00 0.00 C ATOM 691 CD LYS A 44 -15.063 -5.898 -1.506 1.00 0.00 C ATOM 692 CE LYS A 44 -15.240 -5.203 -2.858 1.00 0.00 C ATOM 693 NZ LYS A 44 -15.124 -6.182 -3.963 1.00 0.00 N ATOM 0 H LYS A 44 -15.910 -3.610 2.248 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.396 -5.067 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.196 -5.982 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.816 -6.420 1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.663 -4.345 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.042 -4.146 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.255 -6.627 -1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.970 -6.448 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.214 -4.714 -2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.487 -4.423 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.247 -5.694 -4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.186 -6.629 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.858 -6.911 -3.859 1.00 0.00 H new ATOM 707 N TYR A 45 -12.168 -3.152 1.778 1.00 0.00 N ATOM 708 CA TYR A 45 -11.466 -1.921 1.458 1.00 0.00 C ATOM 709 C TYR A 45 -10.714 -2.048 0.132 1.00 0.00 C ATOM 710 O TYR A 45 -10.316 -3.145 -0.258 1.00 0.00 O ATOM 711 CB TYR A 45 -10.454 -1.708 2.586 1.00 0.00 C ATOM 712 CG TYR A 45 -10.661 -0.411 3.370 1.00 0.00 C ATOM 713 CD1 TYR A 45 -11.933 0.097 3.541 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.577 0.253 3.907 1.00 0.00 C ATOM 715 CE1 TYR A 45 -12.129 1.317 4.279 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.771 1.473 4.646 1.00 0.00 C ATOM 717 CZ TYR A 45 -11.038 1.946 4.796 1.00 0.00 C ATOM 718 OH TYR A 45 -11.222 3.099 5.493 1.00 0.00 O ATOM 0 H TYR A 45 -11.571 -3.909 2.112 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.168 -1.092 1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.511 -2.550 3.275 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.449 -1.709 2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.782 -0.422 3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.581 -0.143 3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.119 1.724 4.419 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.930 2.001 5.072 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.410 3.308 6.000 1.00 0.00 H new ATOM 728 N GLN A 46 -10.541 -0.910 -0.525 1.00 0.00 N ATOM 729 CA GLN A 46 -9.843 -0.881 -1.799 1.00 0.00 C ATOM 730 C GLN A 46 -8.331 -0.805 -1.575 1.00 0.00 C ATOM 731 O GLN A 46 -7.858 -0.004 -0.771 1.00 0.00 O ATOM 732 CB GLN A 46 -10.327 0.286 -2.663 1.00 0.00 C ATOM 733 CG GLN A 46 -10.998 -0.219 -3.941 1.00 0.00 C ATOM 734 CD GLN A 46 -10.279 0.313 -5.184 1.00 0.00 C ATOM 735 OE1 GLN A 46 -9.938 -0.420 -6.097 1.00 0.00 O ATOM 736 NE2 GLN A 46 -10.071 1.627 -5.166 1.00 0.00 N ATOM 0 H GLN A 46 -10.872 -0.002 -0.199 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.066 -1.804 -2.334 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.030 0.896 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.484 0.927 -2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.994 -1.309 -3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.041 0.096 -3.957 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.383 2.182 -4.369 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.600 2.080 -5.949 1.00 0.00 H new ATOM 745 N VAL A 47 -7.615 -1.651 -2.301 1.00 0.00 N ATOM 746 CA VAL A 47 -6.166 -1.691 -2.191 1.00 0.00 C ATOM 747 C VAL A 47 -5.549 -1.489 -3.577 1.00 0.00 C ATOM 748 O VAL A 47 -6.106 -1.934 -4.579 1.00 0.00 O ATOM 749 CB VAL A 47 -5.729 -2.997 -1.527 1.00 0.00 C ATOM 750 CG1 VAL A 47 -5.483 -4.089 -2.571 1.00 0.00 C ATOM 751 CG2 VAL A 47 -4.488 -2.780 -0.658 1.00 0.00 C ATOM 0 H VAL A 47 -8.011 -2.314 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.808 -0.882 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.539 -3.331 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.173 -5.007 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.401 -4.272 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.699 -3.767 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.197 -3.724 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.670 -2.412 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.712 -2.050 0.120 1.00 0.00 H new ATOM 761 N PHE A 48 -4.408 -0.818 -3.588 1.00 0.00 N ATOM 762 CA PHE A 48 -3.709 -0.551 -4.834 1.00 0.00 C ATOM 763 C PHE A 48 -2.204 -0.773 -4.676 1.00 0.00 C ATOM 764 O PHE A 48 -1.538 -0.044 -3.944 1.00 0.00 O ATOM 765 CB PHE A 48 -3.961 0.917 -5.183 1.00 0.00 C ATOM 766 CG PHE A 48 -4.262 1.162 -6.662 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.598 0.458 -7.618 1.00 0.00 C ATOM 768 CD2 PHE A 48 -5.194 2.086 -7.025 1.00 0.00 C ATOM 769 CE1 PHE A 48 -3.877 0.685 -8.992 1.00 0.00 C ATOM 770 CE2 PHE A 48 -5.473 2.313 -8.398 1.00 0.00 C ATOM 771 CZ PHE A 48 -4.808 1.608 -9.352 1.00 0.00 C ATOM 0 H PHE A 48 -3.949 -0.451 -2.754 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.069 -1.222 -5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.797 1.283 -4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.087 1.503 -4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.858 -0.274 -7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.721 2.647 -6.267 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.350 0.125 -9.750 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.213 3.045 -8.685 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.020 1.782 -10.397 1.00 0.00 H new ATOM 781 N PHE A 49 -1.711 -1.785 -5.377 1.00 0.00 N ATOM 782 CA PHE A 49 -0.297 -2.113 -5.324 1.00 0.00 C ATOM 783 C PHE A 49 0.498 -1.278 -6.331 1.00 0.00 C ATOM 784 O PHE A 49 0.138 -1.207 -7.504 1.00 0.00 O ATOM 785 CB PHE A 49 -0.166 -3.592 -5.692 1.00 0.00 C ATOM 786 CG PHE A 49 -1.292 -4.471 -5.143 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.240 -4.922 -3.860 1.00 0.00 C ATOM 788 CD2 PHE A 49 -2.346 -4.800 -5.937 1.00 0.00 C ATOM 789 CE1 PHE A 49 -2.286 -5.737 -3.352 1.00 0.00 C ATOM 790 CE2 PHE A 49 -3.391 -5.616 -5.428 1.00 0.00 C ATOM 791 CZ PHE A 49 -3.339 -6.067 -4.146 1.00 0.00 C ATOM 0 H PHE A 49 -2.266 -2.388 -5.984 1.00 0.00 H new ATOM 0 HA PHE A 49 0.095 -1.905 -4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.142 -3.685 -6.778 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.788 -3.966 -5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.404 -4.660 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.388 -4.441 -6.955 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.245 -6.095 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.227 -5.878 -6.059 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.134 -6.687 -3.759 1.00 0.00 H new ATOM 801 N PHE A 50 1.564 -0.668 -5.834 1.00 0.00 N ATOM 802 CA PHE A 50 2.412 0.160 -6.676 1.00 0.00 C ATOM 803 C PHE A 50 3.371 -0.701 -7.502 1.00 0.00 C ATOM 804 O PHE A 50 3.335 -0.669 -8.731 1.00 0.00 O ATOM 805 CB PHE A 50 3.227 1.058 -5.743 1.00 0.00 C ATOM 806 CG PHE A 50 2.519 2.358 -5.356 1.00 0.00 C ATOM 807 CD1 PHE A 50 2.155 3.247 -6.319 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.254 2.625 -4.049 1.00 0.00 C ATOM 809 CE1 PHE A 50 1.497 4.454 -5.960 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.597 3.831 -3.690 1.00 0.00 C ATOM 811 CZ PHE A 50 1.233 4.720 -4.653 1.00 0.00 C ATOM 0 H PHE A 50 1.860 -0.730 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 50 1.800 0.740 -7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.465 0.502 -4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.174 1.301 -6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.366 3.035 -7.357 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.543 1.919 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.207 5.159 -6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.386 4.043 -2.652 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.734 5.638 -4.379 1.00 0.00 H new ATOM 821 N GLY A 51 4.204 -1.448 -6.794 1.00 0.00 N ATOM 822 CA GLY A 51 5.169 -2.315 -7.446 1.00 0.00 C ATOM 823 C GLY A 51 4.562 -2.981 -8.683 1.00 0.00 C ATOM 824 O GLY A 51 5.080 -2.837 -9.788 1.00 0.00 O ATOM 0 H GLY A 51 4.231 -1.471 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.046 -1.736 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.507 -3.079 -6.746 1.00 0.00 H new ATOM 828 N THR A 52 3.470 -3.697 -8.453 1.00 0.00 N ATOM 829 CA THR A 52 2.786 -4.385 -9.534 1.00 0.00 C ATOM 830 C THR A 52 1.927 -3.405 -10.333 1.00 0.00 C ATOM 831 O THR A 52 1.697 -3.601 -11.524 1.00 0.00 O ATOM 832 CB THR A 52 1.986 -5.540 -8.927 1.00 0.00 C ATOM 833 OG1 THR A 52 0.952 -4.895 -8.188 1.00 0.00 O ATOM 834 CG2 THR A 52 2.778 -6.308 -7.867 1.00 0.00 C ATOM 0 H THR A 52 3.043 -3.815 -7.534 1.00 0.00 H new ATOM 0 HA THR A 52 3.496 -4.801 -10.249 1.00 0.00 H new ATOM 0 HB THR A 52 1.680 -6.225 -9.718 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.384 -5.571 -7.762 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.164 -7.116 -7.469 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.679 -6.724 -8.317 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.055 -5.631 -7.059 1.00 0.00 H new ATOM 842 N HIS A 53 1.475 -2.367 -9.642 1.00 0.00 N ATOM 843 CA HIS A 53 0.645 -1.353 -10.272 1.00 0.00 C ATOM 844 C HIS A 53 -0.736 -1.937 -10.576 1.00 0.00 C ATOM 845 O HIS A 53 -1.306 -1.675 -11.634 1.00 0.00 O ATOM 846 CB HIS A 53 1.334 -0.783 -11.514 1.00 0.00 C ATOM 847 CG HIS A 53 0.913 0.627 -11.857 1.00 0.00 C ATOM 848 ND1 HIS A 53 1.199 1.220 -13.073 1.00 0.00 N ATOM 849 CD2 HIS A 53 0.223 1.552 -11.130 1.00 0.00 C ATOM 850 CE1 HIS A 53 0.701 2.448 -13.068 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.096 2.652 -11.862 1.00 0.00 N ATOM 0 H HIS A 53 1.668 -2.207 -8.653 1.00 0.00 H new ATOM 0 HA HIS A 53 0.505 -0.516 -9.588 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.413 -0.802 -11.359 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.123 -1.431 -12.364 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.156 1.413 -10.128 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.763 3.162 -13.876 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.376 3.508 -11.571 1.00 0.00 H new ATOM 859 N GLU A 54 -1.234 -2.717 -9.628 1.00 0.00 N ATOM 860 CA GLU A 54 -2.538 -3.340 -9.781 1.00 0.00 C ATOM 861 C GLU A 54 -3.453 -2.948 -8.620 1.00 0.00 C ATOM 862 O GLU A 54 -2.987 -2.434 -7.603 1.00 0.00 O ATOM 863 CB GLU A 54 -2.410 -4.862 -9.889 1.00 0.00 C ATOM 864 CG GLU A 54 -2.012 -5.279 -11.305 1.00 0.00 C ATOM 865 CD GLU A 54 -3.221 -5.801 -12.084 1.00 0.00 C ATOM 866 OE1 GLU A 54 -4.158 -4.997 -12.281 1.00 0.00 O ATOM 867 OE2 GLU A 54 -3.182 -6.991 -12.464 1.00 0.00 O ATOM 0 H GLU A 54 -0.758 -2.932 -8.752 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.985 -2.979 -10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.665 -5.219 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.357 -5.330 -9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.577 -4.428 -11.829 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.244 -6.051 -11.258 1.00 0.00 H new ATOM 874 N THR A 55 -4.739 -3.205 -8.808 1.00 0.00 N ATOM 875 CA THR A 55 -5.724 -2.885 -7.789 1.00 0.00 C ATOM 876 C THR A 55 -6.510 -4.137 -7.395 1.00 0.00 C ATOM 877 O THR A 55 -6.804 -4.983 -8.239 1.00 0.00 O ATOM 878 CB THR A 55 -6.609 -1.758 -8.323 1.00 0.00 C ATOM 879 OG1 THR A 55 -5.882 -0.572 -8.016 1.00 0.00 O ATOM 880 CG2 THR A 55 -7.912 -1.611 -7.536 1.00 0.00 C ATOM 0 H THR A 55 -5.122 -3.632 -9.652 1.00 0.00 H new ATOM 0 HA THR A 55 -5.245 -2.537 -6.874 1.00 0.00 H new ATOM 0 HB THR A 55 -6.839 -1.944 -9.372 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.937 -0.699 -8.244 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.502 -0.797 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.480 -2.539 -7.596 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.684 -1.392 -6.493 1.00 0.00 H new ATOM 888 N ALA A 56 -6.826 -4.218 -6.109 1.00 0.00 N ATOM 889 CA ALA A 56 -7.571 -5.353 -5.594 1.00 0.00 C ATOM 890 C ALA A 56 -8.354 -4.921 -4.352 1.00 0.00 C ATOM 891 O ALA A 56 -8.290 -3.762 -3.946 1.00 0.00 O ATOM 892 CB ALA A 56 -6.608 -6.507 -5.302 1.00 0.00 C ATOM 0 H ALA A 56 -6.579 -3.517 -5.411 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.290 -5.707 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.168 -7.359 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.097 -6.795 -6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.873 -6.189 -4.562 1.00 0.00 H new ATOM 898 N PHE A 57 -9.074 -5.876 -3.782 1.00 0.00 N ATOM 899 CA PHE A 57 -9.869 -5.609 -2.597 1.00 0.00 C ATOM 900 C PHE A 57 -9.238 -6.248 -1.358 1.00 0.00 C ATOM 901 O PHE A 57 -9.148 -7.472 -1.265 1.00 0.00 O ATOM 902 CB PHE A 57 -11.247 -6.231 -2.831 1.00 0.00 C ATOM 903 CG PHE A 57 -11.217 -7.744 -3.057 1.00 0.00 C ATOM 904 CD1 PHE A 57 -10.930 -8.243 -4.289 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.476 -8.591 -2.024 1.00 0.00 C ATOM 906 CE1 PHE A 57 -10.901 -9.647 -4.498 1.00 0.00 C ATOM 907 CE2 PHE A 57 -11.447 -9.996 -2.233 1.00 0.00 C ATOM 908 CZ PHE A 57 -11.161 -10.494 -3.466 1.00 0.00 C ATOM 0 H PHE A 57 -9.123 -6.837 -4.120 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.932 -4.534 -2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.882 -6.015 -1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.707 -5.754 -3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.724 -7.571 -5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.704 -8.195 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.672 -10.043 -5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.652 -10.668 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 57 -11.140 -11.562 -3.626 1.00 0.00 H new ATOM 918 N LEU A 58 -8.818 -5.393 -0.438 1.00 0.00 N ATOM 919 CA LEU A 58 -8.198 -5.859 0.790 1.00 0.00 C ATOM 920 C LEU A 58 -8.661 -4.981 1.955 1.00 0.00 C ATOM 921 O LEU A 58 -9.393 -4.014 1.755 1.00 0.00 O ATOM 922 CB LEU A 58 -6.677 -5.920 0.632 1.00 0.00 C ATOM 923 CG LEU A 58 -6.148 -6.946 -0.372 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.630 -6.834 -0.520 1.00 0.00 C ATOM 925 CD2 LEU A 58 -6.585 -8.362 0.007 1.00 0.00 C ATOM 0 H LEU A 58 -8.895 -4.379 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.513 -6.878 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.323 -4.933 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.239 -6.135 1.606 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.584 -6.726 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.279 -7.574 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.371 -5.835 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.156 -7.013 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.195 -9.071 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.198 -8.610 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.674 -8.416 0.020 1.00 0.00 H new ATOM 937 N GLY A 59 -8.214 -5.350 3.146 1.00 0.00 N ATOM 938 CA GLY A 59 -8.574 -4.609 4.343 1.00 0.00 C ATOM 939 C GLY A 59 -7.333 -4.272 5.173 1.00 0.00 C ATOM 940 O GLY A 59 -6.222 -4.234 4.647 1.00 0.00 O ATOM 0 H GLY A 59 -7.606 -6.153 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.090 -3.690 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.269 -5.196 4.943 1.00 0.00 H new ATOM 944 N PRO A 60 -7.571 -4.032 6.490 1.00 0.00 N ATOM 945 CA PRO A 60 -6.486 -3.701 7.398 1.00 0.00 C ATOM 946 C PRO A 60 -5.657 -4.941 7.739 1.00 0.00 C ATOM 947 O PRO A 60 -4.462 -4.838 8.008 1.00 0.00 O ATOM 948 CB PRO A 60 -7.163 -3.087 8.613 1.00 0.00 C ATOM 949 CG PRO A 60 -8.619 -3.521 8.542 1.00 0.00 C ATOM 950 CD PRO A 60 -8.873 -4.070 7.148 1.00 0.00 C ATOM 0 HA PRO A 60 -5.771 -3.004 6.961 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.697 -3.432 9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.078 -2.000 8.600 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.828 -4.280 9.295 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.279 -2.678 8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.266 -5.086 7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.605 -3.466 6.612 1.00 0.00 H new ATOM 958 N LYS A 61 -6.326 -6.085 7.715 1.00 0.00 N ATOM 959 CA LYS A 61 -5.667 -7.344 8.017 1.00 0.00 C ATOM 960 C LYS A 61 -4.669 -7.673 6.905 1.00 0.00 C ATOM 961 O LYS A 61 -3.608 -8.238 7.166 1.00 0.00 O ATOM 962 CB LYS A 61 -6.701 -8.445 8.262 1.00 0.00 C ATOM 963 CG LYS A 61 -7.792 -8.421 7.190 1.00 0.00 C ATOM 964 CD LYS A 61 -9.109 -7.892 7.761 1.00 0.00 C ATOM 965 CE LYS A 61 -9.957 -9.032 8.328 1.00 0.00 C ATOM 966 NZ LYS A 61 -10.356 -8.737 9.722 1.00 0.00 N ATOM 0 H LYS A 61 -7.318 -6.166 7.491 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.097 -7.263 8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.209 -9.417 8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.150 -8.314 9.246 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.475 -7.794 6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.940 -9.426 6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.903 -7.163 8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.666 -7.373 6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.845 -9.174 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.393 -9.964 8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.931 -9.521 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.506 -8.624 10.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.912 -7.859 9.745 1.00 0.00 H new ATOM 980 N ASP A 62 -5.045 -7.304 5.689 1.00 0.00 N ATOM 981 CA ASP A 62 -4.197 -7.552 4.537 1.00 0.00 C ATOM 982 C ASP A 62 -3.210 -6.395 4.375 1.00 0.00 C ATOM 983 O ASP A 62 -2.416 -6.376 3.436 1.00 0.00 O ATOM 984 CB ASP A 62 -5.025 -7.650 3.254 1.00 0.00 C ATOM 985 CG ASP A 62 -5.497 -9.060 2.895 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.618 -9.886 2.566 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.726 -9.280 2.957 1.00 0.00 O ATOM 0 H ASP A 62 -5.926 -6.835 5.477 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.673 -8.494 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.898 -7.005 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.433 -7.260 2.426 1.00 0.00 H new ATOM 992 N LEU A 63 -3.293 -5.455 5.306 1.00 0.00 N ATOM 993 CA LEU A 63 -2.417 -4.296 5.279 1.00 0.00 C ATOM 994 C LEU A 63 -1.618 -4.235 6.581 1.00 0.00 C ATOM 995 O LEU A 63 -2.195 -4.156 7.665 1.00 0.00 O ATOM 996 CB LEU A 63 -3.219 -3.025 4.989 1.00 0.00 C ATOM 997 CG LEU A 63 -3.462 -2.707 3.512 1.00 0.00 C ATOM 998 CD1 LEU A 63 -4.297 -1.435 3.356 1.00 0.00 C ATOM 999 CD2 LEU A 63 -2.141 -2.625 2.745 1.00 0.00 C ATOM 0 H LEU A 63 -3.953 -5.473 6.083 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.696 -4.383 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.186 -3.108 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.699 -2.180 5.441 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.037 -3.524 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.455 -1.231 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.260 -1.570 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.771 -0.596 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.342 -2.398 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.519 -1.839 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.619 -3.579 2.816 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.303 -4.274 6.435 1.00 0.00 N ATOM 1012 CA PHE A 64 0.583 -4.226 7.586 1.00 0.00 C ATOM 1013 C PHE A 64 1.374 -2.916 7.615 1.00 0.00 C ATOM 1014 O PHE A 64 1.815 -2.431 6.574 1.00 0.00 O ATOM 1015 CB PHE A 64 1.559 -5.395 7.451 1.00 0.00 C ATOM 1016 CG PHE A 64 1.851 -6.119 8.768 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.833 -6.679 9.475 1.00 0.00 C ATOM 1018 CD2 PHE A 64 3.127 -6.201 9.231 1.00 0.00 C ATOM 1019 CE1 PHE A 64 1.103 -7.350 10.697 1.00 0.00 C ATOM 1020 CE2 PHE A 64 3.396 -6.872 10.453 1.00 0.00 C ATOM 1021 CZ PHE A 64 2.378 -7.433 11.160 1.00 0.00 C ATOM 0 H PHE A 64 0.172 -4.338 5.535 1.00 0.00 H new ATOM 0 HA PHE A 64 0.001 -4.288 8.505 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.154 -6.112 6.736 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.497 -5.026 7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.180 -6.613 9.107 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.935 -5.756 8.670 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.295 -7.795 11.259 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.409 -6.937 10.821 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.583 -7.944 12.089 1.00 0.00 H new ATOM 1031 N PRO A 65 1.534 -2.368 8.849 1.00 0.00 N ATOM 1032 CA PRO A 65 2.264 -1.125 9.025 1.00 0.00 C ATOM 1033 C PRO A 65 3.771 -1.350 8.894 1.00 0.00 C ATOM 1034 O PRO A 65 4.231 -2.490 8.856 1.00 0.00 O ATOM 1035 CB PRO A 65 1.857 -0.621 10.401 1.00 0.00 C ATOM 1036 CG PRO A 65 1.281 -1.824 11.131 1.00 0.00 C ATOM 1037 CD PRO A 65 1.024 -2.914 10.104 1.00 0.00 C ATOM 0 HA PRO A 65 2.028 -0.387 8.258 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.714 -0.212 10.937 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.120 0.178 10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.975 -2.175 11.895 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.356 -1.554 11.641 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.536 -3.838 10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.038 -3.148 10.032 1.00 0.00 H new ATOM 1045 N TYR A 66 4.499 -0.245 8.827 1.00 0.00 N ATOM 1046 CA TYR A 66 5.945 -0.308 8.700 1.00 0.00 C ATOM 1047 C TYR A 66 6.607 -0.515 10.064 1.00 0.00 C ATOM 1048 O TYR A 66 7.581 -1.257 10.180 1.00 0.00 O ATOM 1049 CB TYR A 66 6.378 1.046 8.136 1.00 0.00 C ATOM 1050 CG TYR A 66 7.840 1.400 8.418 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.830 0.987 7.550 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.168 2.131 9.543 1.00 0.00 C ATOM 1053 CE1 TYR A 66 10.206 1.320 7.817 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.543 2.463 9.809 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.494 2.041 8.933 1.00 0.00 C ATOM 1056 OH TYR A 66 11.794 2.355 9.185 1.00 0.00 O ATOM 0 H TYR A 66 4.114 0.699 8.858 1.00 0.00 H new ATOM 0 HA TYR A 66 6.238 -1.140 8.060 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.216 1.047 7.058 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.739 1.824 8.555 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.573 0.414 6.671 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.393 2.453 10.223 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.991 1.004 7.146 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.814 3.034 10.685 1.00 0.00 H new ATOM 0 HH TYR A 66 11.850 2.873 10.015 1.00 0.00 H new ATOM 1066 N GLU A 67 6.052 0.157 11.062 1.00 0.00 N ATOM 1067 CA GLU A 67 6.577 0.057 12.414 1.00 0.00 C ATOM 1068 C GLU A 67 6.655 -1.409 12.846 1.00 0.00 C ATOM 1069 O GLU A 67 7.697 -1.868 13.309 1.00 0.00 O ATOM 1070 CB GLU A 67 5.729 0.873 13.393 1.00 0.00 C ATOM 1071 CG GLU A 67 6.522 2.057 13.950 1.00 0.00 C ATOM 1072 CD GLU A 67 5.664 3.323 13.988 1.00 0.00 C ATOM 1073 OE1 GLU A 67 5.671 4.043 12.967 1.00 0.00 O ATOM 1074 OE2 GLU A 67 5.021 3.541 15.037 1.00 0.00 O ATOM 0 H GLU A 67 5.245 0.772 10.962 1.00 0.00 H new ATOM 0 HA GLU A 67 7.585 0.472 12.424 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.833 1.236 12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.398 0.235 14.212 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.875 1.823 14.954 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.405 2.230 13.334 1.00 0.00 H new ATOM 1081 N GLU A 68 5.538 -2.101 12.679 1.00 0.00 N ATOM 1082 CA GLU A 68 5.466 -3.505 13.046 1.00 0.00 C ATOM 1083 C GLU A 68 6.396 -4.334 12.157 1.00 0.00 C ATOM 1084 O GLU A 68 7.159 -5.162 12.653 1.00 0.00 O ATOM 1085 CB GLU A 68 4.029 -4.021 12.966 1.00 0.00 C ATOM 1086 CG GLU A 68 3.302 -3.827 14.299 1.00 0.00 C ATOM 1087 CD GLU A 68 2.711 -2.420 14.403 1.00 0.00 C ATOM 1088 OE1 GLU A 68 3.516 -1.465 14.419 1.00 0.00 O ATOM 1089 OE2 GLU A 68 1.465 -2.331 14.460 1.00 0.00 O ATOM 0 H GLU A 68 4.675 -1.716 12.294 1.00 0.00 H new ATOM 0 HA GLU A 68 5.796 -3.607 14.080 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.493 -3.495 12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.033 -5.078 12.700 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.507 -4.567 14.395 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.995 -3.996 15.123 1.00 0.00 H new ATOM 1096 N SER A 69 6.300 -4.083 10.860 1.00 0.00 N ATOM 1097 CA SER A 69 7.123 -4.796 9.897 1.00 0.00 C ATOM 1098 C SER A 69 8.602 -4.632 10.249 1.00 0.00 C ATOM 1099 O SER A 69 9.339 -5.614 10.324 1.00 0.00 O ATOM 1100 CB SER A 69 6.858 -4.301 8.473 1.00 0.00 C ATOM 1101 OG SER A 69 7.809 -3.321 8.064 1.00 0.00 O ATOM 0 H SER A 69 5.665 -3.396 10.453 1.00 0.00 H new ATOM 0 HA SER A 69 6.861 -5.853 9.940 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.888 -5.145 7.784 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.855 -3.879 8.417 1.00 0.00 H new ATOM 0 HG SER A 69 7.607 -3.031 7.150 1.00 0.00 H new ATOM 1107 N LYS A 70 8.993 -3.384 10.459 1.00 0.00 N ATOM 1108 CA LYS A 70 10.371 -3.078 10.803 1.00 0.00 C ATOM 1109 C LYS A 70 10.656 -3.559 12.227 1.00 0.00 C ATOM 1110 O LYS A 70 11.809 -3.601 12.653 1.00 0.00 O ATOM 1111 CB LYS A 70 10.661 -1.593 10.586 1.00 0.00 C ATOM 1112 CG LYS A 70 10.299 -0.776 11.829 1.00 0.00 C ATOM 1113 CD LYS A 70 11.558 -0.321 12.570 1.00 0.00 C ATOM 1114 CE LYS A 70 11.212 0.205 13.966 1.00 0.00 C ATOM 1115 NZ LYS A 70 11.095 1.680 13.951 1.00 0.00 N ATOM 0 H LYS A 70 8.379 -2.572 10.397 1.00 0.00 H new ATOM 0 HA LYS A 70 11.055 -3.612 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.716 -1.456 10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.093 -1.229 9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.709 0.093 11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.677 -1.375 12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.256 -1.154 12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.060 0.459 11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.275 -0.236 14.305 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.982 -0.097 14.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.860 2.019 14.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.998 2.097 13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.344 1.962 13.289 1.00 0.00 H new ATOM 1129 N GLU A 71 9.586 -3.910 12.924 1.00 0.00 N ATOM 1130 CA GLU A 71 9.705 -4.386 14.291 1.00 0.00 C ATOM 1131 C GLU A 71 10.373 -5.762 14.318 1.00 0.00 C ATOM 1132 O GLU A 71 11.320 -5.982 15.072 1.00 0.00 O ATOM 1133 CB GLU A 71 8.340 -4.427 14.980 1.00 0.00 C ATOM 1134 CG GLU A 71 8.487 -4.316 16.499 1.00 0.00 C ATOM 1135 CD GLU A 71 8.603 -2.854 16.933 1.00 0.00 C ATOM 1136 OE1 GLU A 71 9.289 -2.100 16.211 1.00 0.00 O ATOM 1137 OE2 GLU A 71 7.999 -2.522 17.977 1.00 0.00 O ATOM 0 H GLU A 71 8.631 -3.874 12.567 1.00 0.00 H new ATOM 0 HA GLU A 71 10.333 -3.687 14.844 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.718 -3.611 14.611 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.829 -5.356 14.728 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.627 -4.776 16.986 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.370 -4.867 16.824 1.00 0.00 H new ATOM 1144 N LYS A 72 9.854 -6.654 13.486 1.00 0.00 N ATOM 1145 CA LYS A 72 10.388 -8.002 13.405 1.00 0.00 C ATOM 1146 C LYS A 72 11.229 -8.138 12.133 1.00 0.00 C ATOM 1147 O LYS A 72 12.447 -8.291 12.204 1.00 0.00 O ATOM 1148 CB LYS A 72 9.262 -9.032 13.511 1.00 0.00 C ATOM 1149 CG LYS A 72 9.749 -10.422 13.094 1.00 0.00 C ATOM 1150 CD LYS A 72 10.618 -11.049 14.186 1.00 0.00 C ATOM 1151 CE LYS A 72 12.042 -11.288 13.684 1.00 0.00 C ATOM 1152 NZ LYS A 72 12.747 -12.250 14.560 1.00 0.00 N ATOM 0 H LYS A 72 9.069 -6.468 12.862 1.00 0.00 H new ATOM 0 HA LYS A 72 11.050 -8.200 14.248 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.890 -9.065 14.535 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.427 -8.730 12.878 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.893 -11.066 12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.319 -10.349 12.168 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.641 -10.395 15.058 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.179 -11.993 14.508 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.015 -11.669 12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.587 -10.345 13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.713 -12.400 14.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.790 -11.871 15.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.235 -13.155 14.565 1.00 0.00 H new ATOM 1166 N PHE A 73 10.543 -8.075 11.000 1.00 0.00 N ATOM 1167 CA PHE A 73 11.211 -8.189 9.715 1.00 0.00 C ATOM 1168 C PHE A 73 10.743 -7.094 8.755 1.00 0.00 C ATOM 1169 O PHE A 73 11.461 -6.126 8.514 1.00 0.00 O ATOM 1170 CB PHE A 73 10.836 -9.554 9.136 1.00 0.00 C ATOM 1171 CG PHE A 73 12.010 -10.531 9.035 1.00 0.00 C ATOM 1172 CD1 PHE A 73 12.846 -10.700 10.094 1.00 0.00 C ATOM 1173 CD2 PHE A 73 12.214 -11.232 7.887 1.00 0.00 C ATOM 1174 CE1 PHE A 73 13.935 -11.606 10.000 1.00 0.00 C ATOM 1175 CE2 PHE A 73 13.304 -12.138 7.793 1.00 0.00 C ATOM 1176 CZ PHE A 73 14.141 -12.306 8.852 1.00 0.00 C ATOM 0 H PHE A 73 9.533 -7.947 10.946 1.00 0.00 H new ATOM 0 HA PHE A 73 12.288 -8.084 9.845 1.00 0.00 H new ATOM 0 HB2 PHE A 73 10.058 -9.999 9.757 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.409 -9.411 8.143 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.682 -10.145 11.006 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.548 -11.100 7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.600 -11.739 10.840 1.00 0.00 H new ATOM 0 HE2 PHE A 73 13.468 -12.693 6.881 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.969 -12.995 8.781 1.00 0.00 H new ATOM 1186 N GLY A 74 9.539 -7.284 8.234 1.00 0.00 N ATOM 1187 CA GLY A 74 8.966 -6.324 7.306 1.00 0.00 C ATOM 1188 C GLY A 74 9.831 -6.192 6.050 1.00 0.00 C ATOM 1189 O GLY A 74 9.923 -5.113 5.466 1.00 0.00 O ATOM 0 H GLY A 74 8.945 -8.088 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.960 -6.638 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.874 -5.353 7.792 1.00 0.00 H new ATOM 1193 N LYS A 75 10.443 -7.304 5.672 1.00 0.00 N ATOM 1194 CA LYS A 75 11.297 -7.327 4.497 1.00 0.00 C ATOM 1195 C LYS A 75 10.894 -8.499 3.601 1.00 0.00 C ATOM 1196 O LYS A 75 11.352 -9.624 3.801 1.00 0.00 O ATOM 1197 CB LYS A 75 12.771 -7.343 4.906 1.00 0.00 C ATOM 1198 CG LYS A 75 13.112 -8.621 5.673 1.00 0.00 C ATOM 1199 CD LYS A 75 14.028 -8.320 6.862 1.00 0.00 C ATOM 1200 CE LYS A 75 15.456 -8.034 6.395 1.00 0.00 C ATOM 1201 NZ LYS A 75 16.378 -7.975 7.552 1.00 0.00 N ATOM 0 H LYS A 75 10.364 -8.197 6.159 1.00 0.00 H new ATOM 0 HA LYS A 75 11.163 -6.418 3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.399 -7.268 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.990 -6.473 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.195 -9.093 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.599 -9.331 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.643 -7.462 7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.029 -9.167 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.781 -8.811 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.485 -7.090 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.343 -7.780 7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.076 -7.218 8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.363 -8.885 8.054 1.00 0.00 H new ATOM 1215 N PRO A 76 10.019 -8.189 2.607 1.00 0.00 N ATOM 1216 CA PRO A 76 9.549 -9.205 1.679 1.00 0.00 C ATOM 1217 C PRO A 76 10.634 -9.561 0.661 1.00 0.00 C ATOM 1218 O PRO A 76 11.688 -8.930 0.626 1.00 0.00 O ATOM 1219 CB PRO A 76 8.305 -8.608 1.041 1.00 0.00 C ATOM 1220 CG PRO A 76 8.389 -7.111 1.285 1.00 0.00 C ATOM 1221 CD PRO A 76 9.455 -6.870 2.341 1.00 0.00 C ATOM 0 HA PRO A 76 9.314 -10.149 2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.269 -8.828 -0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.401 -9.026 1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.640 -6.587 0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.426 -6.724 1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.218 -6.178 1.983 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.027 -6.433 3.243 1.00 0.00 H new ATOM 1229 N ASN A 77 10.336 -10.572 -0.142 1.00 0.00 N ATOM 1230 CA ASN A 77 11.272 -11.020 -1.159 1.00 0.00 C ATOM 1231 C ASN A 77 11.753 -9.813 -1.969 1.00 0.00 C ATOM 1232 O ASN A 77 10.979 -9.211 -2.712 1.00 0.00 O ATOM 1233 CB ASN A 77 10.609 -12.003 -2.126 1.00 0.00 C ATOM 1234 CG ASN A 77 9.730 -13.003 -1.371 1.00 0.00 C ATOM 1235 OD1 ASN A 77 10.137 -14.107 -1.048 1.00 0.00 O ATOM 1236 ND2 ASN A 77 8.505 -12.556 -1.109 1.00 0.00 N ATOM 0 H ASN A 77 9.460 -11.093 -0.109 1.00 0.00 H new ATOM 0 HA ASN A 77 12.103 -11.515 -0.657 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.005 -11.456 -2.850 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.374 -12.538 -2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.842 -13.148 -0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.229 -11.621 -1.408 1.00 0.00 H new ATOM 1243 N LYS A 78 13.028 -9.498 -1.799 1.00 0.00 N ATOM 1244 CA LYS A 78 13.623 -8.375 -2.506 1.00 0.00 C ATOM 1245 C LYS A 78 13.763 -8.727 -3.988 1.00 0.00 C ATOM 1246 O LYS A 78 14.815 -9.199 -4.419 1.00 0.00 O ATOM 1247 CB LYS A 78 14.937 -7.960 -1.844 1.00 0.00 C ATOM 1248 CG LYS A 78 14.797 -6.609 -1.142 1.00 0.00 C ATOM 1249 CD LYS A 78 15.346 -5.477 -2.013 1.00 0.00 C ATOM 1250 CE LYS A 78 15.749 -4.273 -1.160 1.00 0.00 C ATOM 1251 NZ LYS A 78 15.272 -3.017 -1.779 1.00 0.00 N ATOM 0 H LYS A 78 13.667 -10.000 -1.182 1.00 0.00 H new ATOM 0 HA LYS A 78 12.975 -7.501 -2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.240 -8.719 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.724 -7.903 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.748 -6.421 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.330 -6.632 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.209 -5.833 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.593 -5.175 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.331 -4.373 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.833 -4.243 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.402 -2.230 -1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.815 -2.829 -2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.263 -3.108 -2.015 1.00 0.00 H new ATOM 1265 N ARG A 79 12.691 -8.484 -4.725 1.00 0.00 N ATOM 1266 CA ARG A 79 12.682 -8.770 -6.150 1.00 0.00 C ATOM 1267 C ARG A 79 12.907 -7.486 -6.950 1.00 0.00 C ATOM 1268 O ARG A 79 13.137 -6.424 -6.375 1.00 0.00 O ATOM 1269 CB ARG A 79 11.356 -9.403 -6.577 1.00 0.00 C ATOM 1270 CG ARG A 79 11.307 -10.884 -6.194 1.00 0.00 C ATOM 1271 CD ARG A 79 11.950 -11.751 -7.278 1.00 0.00 C ATOM 1272 NE ARG A 79 11.918 -13.175 -6.873 1.00 0.00 N ATOM 1273 CZ ARG A 79 12.645 -14.138 -7.456 1.00 0.00 C ATOM 1274 NH1 ARG A 79 13.463 -13.837 -8.474 1.00 0.00 N ATOM 1275 NH2 ARG A 79 12.552 -15.402 -7.021 1.00 0.00 N ATOM 0 H ARG A 79 11.822 -8.092 -4.363 1.00 0.00 H new ATOM 0 HA ARG A 79 13.489 -9.474 -6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.528 -8.874 -6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.229 -9.298 -7.654 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.825 -11.036 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.272 -11.191 -6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.420 -11.621 -8.221 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.980 -11.435 -7.445 1.00 0.00 H new ATOM 0 HE ARG A 79 11.304 -13.439 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.532 -12.875 -8.805 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.016 -14.570 -8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.928 -15.630 -6.247 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.105 -16.136 -7.464 1.00 0.00 H new ATOM 1289 N LYS A 80 12.832 -7.626 -8.266 1.00 0.00 N ATOM 1290 CA LYS A 80 13.025 -6.489 -9.152 1.00 0.00 C ATOM 1291 C LYS A 80 11.888 -5.487 -8.944 1.00 0.00 C ATOM 1292 O LYS A 80 12.123 -4.283 -8.872 1.00 0.00 O ATOM 1293 CB LYS A 80 13.174 -6.958 -10.600 1.00 0.00 C ATOM 1294 CG LYS A 80 14.642 -7.218 -10.944 1.00 0.00 C ATOM 1295 CD LYS A 80 14.842 -7.320 -12.457 1.00 0.00 C ATOM 1296 CE LYS A 80 15.289 -8.727 -12.857 1.00 0.00 C ATOM 1297 NZ LYS A 80 16.202 -8.670 -14.022 1.00 0.00 N ATOM 0 H LYS A 80 12.640 -8.509 -8.740 1.00 0.00 H new ATOM 0 HA LYS A 80 13.954 -5.972 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.594 -7.868 -10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.767 -6.204 -11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.260 -6.414 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.973 -8.141 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.912 -7.071 -12.968 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.587 -6.593 -12.779 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.791 -9.208 -12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.418 -9.336 -13.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.496 -9.634 -14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.711 -8.230 -14.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.041 -8.106 -13.778 1.00 0.00 H new ATOM 1311 N GLY A 81 10.680 -6.023 -8.853 1.00 0.00 N ATOM 1312 CA GLY A 81 9.504 -5.191 -8.655 1.00 0.00 C ATOM 1313 C GLY A 81 9.513 -4.553 -7.265 1.00 0.00 C ATOM 1314 O GLY A 81 8.709 -3.667 -6.979 1.00 0.00 O ATOM 0 H GLY A 81 10.489 -7.023 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.473 -4.412 -9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.603 -5.793 -8.777 1.00 0.00 H new ATOM 1318 N PHE A 82 10.431 -5.028 -6.435 1.00 0.00 N ATOM 1319 CA PHE A 82 10.556 -4.514 -5.083 1.00 0.00 C ATOM 1320 C PHE A 82 11.338 -3.200 -5.064 1.00 0.00 C ATOM 1321 O PHE A 82 10.891 -2.215 -4.479 1.00 0.00 O ATOM 1322 CB PHE A 82 11.322 -5.564 -4.275 1.00 0.00 C ATOM 1323 CG PHE A 82 11.333 -5.303 -2.767 1.00 0.00 C ATOM 1324 CD1 PHE A 82 11.801 -4.120 -2.285 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.874 -6.253 -1.910 1.00 0.00 C ATOM 1326 CE1 PHE A 82 11.811 -3.878 -0.886 1.00 0.00 C ATOM 1327 CE2 PHE A 82 10.884 -6.011 -0.510 1.00 0.00 C ATOM 1328 CZ PHE A 82 11.353 -4.829 -0.028 1.00 0.00 C ATOM 0 H PHE A 82 11.095 -5.764 -6.674 1.00 0.00 H new ATOM 0 HA PHE A 82 9.568 -4.321 -4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.881 -6.543 -4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.350 -5.605 -4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.165 -3.365 -2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.502 -7.192 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.182 -2.939 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.519 -6.766 0.171 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.362 -4.645 1.036 1.00 0.00 H new ATOM 1338 N SER A 83 12.494 -3.228 -5.711 1.00 0.00 N ATOM 1339 CA SER A 83 13.344 -2.052 -5.776 1.00 0.00 C ATOM 1340 C SER A 83 12.651 -0.950 -6.582 1.00 0.00 C ATOM 1341 O SER A 83 12.499 0.171 -6.103 1.00 0.00 O ATOM 1342 CB SER A 83 14.702 -2.387 -6.395 1.00 0.00 C ATOM 1343 OG SER A 83 15.770 -2.209 -5.467 1.00 0.00 O ATOM 0 H SER A 83 12.862 -4.047 -6.195 1.00 0.00 H new ATOM 0 HA SER A 83 13.516 -1.698 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.696 -3.419 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.869 -1.754 -7.266 1.00 0.00 H new ATOM 0 HG SER A 83 16.620 -2.435 -5.899 1.00 0.00 H new ATOM 1349 N GLU A 84 12.251 -1.310 -7.793 1.00 0.00 N ATOM 1350 CA GLU A 84 11.578 -0.366 -8.670 1.00 0.00 C ATOM 1351 C GLU A 84 10.172 -0.067 -8.149 1.00 0.00 C ATOM 1352 O GLU A 84 9.548 0.908 -8.562 1.00 0.00 O ATOM 1353 CB GLU A 84 11.532 -0.891 -10.107 1.00 0.00 C ATOM 1354 CG GLU A 84 10.274 -1.730 -10.343 1.00 0.00 C ATOM 1355 CD GLU A 84 10.308 -2.392 -11.722 1.00 0.00 C ATOM 1356 OE1 GLU A 84 11.097 -3.350 -11.873 1.00 0.00 O ATOM 1357 OE2 GLU A 84 9.545 -1.923 -12.595 1.00 0.00 O ATOM 0 H GLU A 84 12.380 -2.242 -8.187 1.00 0.00 H new ATOM 0 HA GLU A 84 12.146 0.564 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.552 -0.054 -10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.418 -1.493 -10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.192 -2.495 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.390 -1.098 -10.261 1.00 0.00 H new ATOM 1364 N GLY A 85 9.712 -0.927 -7.250 1.00 0.00 N ATOM 1365 CA GLY A 85 8.391 -0.767 -6.669 1.00 0.00 C ATOM 1366 C GLY A 85 8.395 0.315 -5.587 1.00 0.00 C ATOM 1367 O GLY A 85 7.671 1.304 -5.691 1.00 0.00 O ATOM 0 H GLY A 85 10.232 -1.736 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.676 -0.504 -7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.061 -1.713 -6.241 1.00 0.00 H new ATOM 1371 N LEU A 86 9.219 0.091 -4.574 1.00 0.00 N ATOM 1372 CA LEU A 86 9.326 1.035 -3.474 1.00 0.00 C ATOM 1373 C LEU A 86 9.744 2.402 -4.020 1.00 0.00 C ATOM 1374 O LEU A 86 9.448 3.433 -3.418 1.00 0.00 O ATOM 1375 CB LEU A 86 10.262 0.492 -2.393 1.00 0.00 C ATOM 1376 CG LEU A 86 11.054 1.538 -1.605 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.105 2.212 -2.490 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.118 2.557 -0.950 1.00 0.00 C ATOM 0 H LEU A 86 9.819 -0.730 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 86 8.359 1.167 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.671 -0.094 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.969 -0.192 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 86 11.587 1.028 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.653 2.951 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.798 1.461 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.613 2.705 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.707 3.289 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.538 3.066 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.442 2.043 -0.266 1.00 0.00 H new ATOM 1390 N TRP A 87 10.427 2.367 -5.155 1.00 0.00 N ATOM 1391 CA TRP A 87 10.889 3.590 -5.790 1.00 0.00 C ATOM 1392 C TRP A 87 9.767 4.107 -6.692 1.00 0.00 C ATOM 1393 O TRP A 87 9.722 5.293 -7.014 1.00 0.00 O ATOM 1394 CB TRP A 87 12.201 3.356 -6.540 1.00 0.00 C ATOM 1395 CG TRP A 87 13.357 4.240 -6.064 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.678 5.472 -6.481 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.336 3.906 -5.059 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.789 5.955 -5.820 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.202 4.973 -4.926 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.485 2.742 -4.284 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.277 4.982 -4.032 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.565 2.766 -3.393 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.445 3.832 -3.250 1.00 0.00 C ATOM 0 H TRP A 87 10.672 1.510 -5.652 1.00 0.00 H new ATOM 0 HA TRP A 87 11.113 4.352 -5.044 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.488 2.310 -6.431 1.00 0.00 H new ATOM 0 HB3 TRP A 87 12.036 3.532 -7.603 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.136 6.018 -7.239 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.227 6.865 -5.961 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.819 1.896 -4.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 16.942 5.829 -3.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.725 1.896 -2.774 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.255 3.774 -2.539 1.00 0.00 H new ATOM 1414 N GLU A 88 8.890 3.191 -7.076 1.00 0.00 N ATOM 1415 CA GLU A 88 7.772 3.540 -7.935 1.00 0.00 C ATOM 1416 C GLU A 88 6.734 4.350 -7.153 1.00 0.00 C ATOM 1417 O GLU A 88 5.932 5.072 -7.744 1.00 0.00 O ATOM 1418 CB GLU A 88 7.141 2.289 -8.549 1.00 0.00 C ATOM 1419 CG GLU A 88 7.491 2.171 -10.033 1.00 0.00 C ATOM 1420 CD GLU A 88 6.228 2.037 -10.887 1.00 0.00 C ATOM 1421 OE1 GLU A 88 5.416 2.986 -10.850 1.00 0.00 O ATOM 1422 OE2 GLU A 88 6.105 0.988 -11.555 1.00 0.00 O ATOM 0 H GLU A 88 8.931 2.208 -6.808 1.00 0.00 H new ATOM 0 HA GLU A 88 8.146 4.157 -8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.490 1.403 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.058 2.327 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.055 3.049 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.134 1.305 -10.191 1.00 0.00 H new ATOM 1429 N ILE A 89 6.784 4.202 -5.837 1.00 0.00 N ATOM 1430 CA ILE A 89 5.859 4.911 -4.970 1.00 0.00 C ATOM 1431 C ILE A 89 6.564 6.126 -4.361 1.00 0.00 C ATOM 1432 O ILE A 89 5.980 7.205 -4.268 1.00 0.00 O ATOM 1433 CB ILE A 89 5.266 3.960 -3.927 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.681 4.736 -2.746 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.300 2.926 -3.479 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.769 5.096 -1.733 1.00 0.00 C ATOM 0 H ILE A 89 7.450 3.602 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 89 5.013 5.287 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 89 4.444 3.414 -4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.200 5.645 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.910 4.138 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.854 2.263 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.627 2.342 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.158 3.436 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.326 5.647 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.232 4.184 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.526 5.714 -2.216 1.00 0.00 H new ATOM 1448 N GLU A 90 7.809 5.909 -3.965 1.00 0.00 N ATOM 1449 CA GLU A 90 8.600 6.973 -3.371 1.00 0.00 C ATOM 1450 C GLU A 90 9.123 7.917 -4.455 1.00 0.00 C ATOM 1451 O GLU A 90 9.369 9.093 -4.193 1.00 0.00 O ATOM 1452 CB GLU A 90 9.751 6.401 -2.541 1.00 0.00 C ATOM 1453 CG GLU A 90 9.314 6.152 -1.095 1.00 0.00 C ATOM 1454 CD GLU A 90 9.455 7.423 -0.254 1.00 0.00 C ATOM 1455 OE1 GLU A 90 10.605 7.723 0.135 1.00 0.00 O ATOM 1456 OE2 GLU A 90 8.409 8.065 -0.019 1.00 0.00 O ATOM 0 H GLU A 90 8.289 5.013 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 90 7.958 7.544 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.096 5.468 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.594 7.092 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.278 5.813 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.918 5.355 -0.661 1.00 0.00 H new ATOM 1463 N ASN A 91 9.275 7.365 -5.649 1.00 0.00 N ATOM 1464 CA ASN A 91 9.764 8.145 -6.776 1.00 0.00 C ATOM 1465 C ASN A 91 8.883 7.875 -7.998 1.00 0.00 C ATOM 1466 O ASN A 91 9.339 7.295 -8.981 1.00 0.00 O ATOM 1467 CB ASN A 91 11.200 7.754 -7.134 1.00 0.00 C ATOM 1468 CG ASN A 91 12.079 7.688 -5.883 1.00 0.00 C ATOM 1469 OD1 ASN A 91 13.056 8.403 -5.741 1.00 0.00 O ATOM 1470 ND2 ASN A 91 11.676 6.791 -4.986 1.00 0.00 N ATOM 0 H ASN A 91 9.069 6.389 -5.862 1.00 0.00 H new ATOM 0 HA ASN A 91 9.735 9.198 -6.495 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.203 6.787 -7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.614 8.478 -7.836 1.00 0.00 H new ATOM 0 HD21 ASN A 91 12.195 6.671 -4.116 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.848 6.224 -5.168 1.00 0.00 H new ATOM 1477 N ASN A 92 7.636 8.311 -7.893 1.00 0.00 N ATOM 1478 CA ASN A 92 6.686 8.123 -8.978 1.00 0.00 C ATOM 1479 C ASN A 92 7.116 8.968 -10.179 1.00 0.00 C ATOM 1480 O ASN A 92 7.582 10.096 -10.014 1.00 0.00 O ATOM 1481 CB ASN A 92 5.283 8.570 -8.564 1.00 0.00 C ATOM 1482 CG ASN A 92 5.333 9.890 -7.790 1.00 0.00 C ATOM 1483 OD1 ASN A 92 6.049 10.814 -8.138 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.536 9.923 -6.727 1.00 0.00 N ATOM 0 H ASN A 92 7.262 8.793 -7.076 1.00 0.00 H new ATOM 0 HA ASN A 92 6.667 7.063 -9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.659 8.687 -9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.820 7.800 -7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.497 10.759 -6.144 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.963 9.112 -6.494 1.00 0.00 H new