USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 16 CYS SG : rot 153:sc= 0.295 USER MOD Single : B 19 TYR OH : rot 180:sc= -0.131 USER MOD Single : B 22 ASN : amide:sc= -1.05 X(o=-1.1,f=-1.2) USER MOD Single : B 30 LYS NZ :NH3+ -164:sc= 0.617 (180deg=0.181) USER MOD Single : B 37 SER OG : rot 72:sc= 0.45 USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 130:sc= 0.452 USER MOD Single : B 48 LYS NZ :NH3+ 176:sc= 0.857 (180deg=0.594) USER MOD Single : B 49 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.6!) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N CYS B 16 13.185 -0.820 -1.149 1.00 0.00 N ATOM 139 CA CYS B 16 14.456 -0.206 -1.522 1.00 0.00 C ATOM 140 C CYS B 16 14.396 1.315 -1.427 1.00 0.00 C ATOM 141 O CYS B 16 15.424 1.988 -1.535 1.00 0.00 O ATOM 142 CB CYS B 16 14.818 -0.613 -2.947 1.00 0.00 C ATOM 143 SG CYS B 16 13.406 -0.306 -4.043 1.00 0.00 S ATOM 0 HA CYS B 16 15.217 -0.557 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS B 16 15.686 -0.049 -3.288 1.00 0.00 H new ATOM 0 HB3 CYS B 16 15.092 -1.668 -2.977 1.00 0.00 H new ATOM 0 HG CYS B 16 13.834 -0.089 -5.251 1.00 0.00 H new ATOM 149 N ARG B 17 13.195 1.865 -1.230 1.00 0.00 N ATOM 150 CA ARG B 17 12.992 3.298 -1.133 1.00 0.00 C ATOM 151 C ARG B 17 13.718 3.893 0.069 1.00 0.00 C ATOM 152 O ARG B 17 13.814 3.264 1.123 1.00 0.00 O ATOM 153 CB ARG B 17 11.499 3.621 -1.062 1.00 0.00 C ATOM 154 CG ARG B 17 10.921 3.672 -2.475 1.00 0.00 C ATOM 155 CD ARG B 17 9.441 4.040 -2.428 1.00 0.00 C ATOM 156 NE ARG B 17 8.964 4.408 -3.767 1.00 0.00 N ATOM 157 CZ ARG B 17 8.398 5.580 -4.068 1.00 0.00 C ATOM 158 NH1 ARG B 17 8.195 6.500 -3.127 1.00 0.00 N ATOM 159 NH2 ARG B 17 8.035 5.829 -5.322 1.00 0.00 N ATOM 0 H ARG B 17 12.338 1.320 -1.134 1.00 0.00 H new ATOM 0 HA ARG B 17 13.413 3.750 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG B 17 10.980 2.865 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.346 4.577 -0.560 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.466 4.403 -3.072 1.00 0.00 H new ATOM 0 HG3 ARG B 17 11.047 2.705 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.862 3.199 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.288 4.871 -1.739 1.00 0.00 H new ATOM 0 HE ARG B 17 9.072 3.724 -4.516 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.473 6.314 -2.163 1.00 0.00 H new ATOM 0 HH12 ARG B 17 7.762 7.391 -3.370 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.189 5.128 -6.046 1.00 0.00 H new ATOM 0 HH22 ARG B 17 7.602 6.721 -5.560 1.00 0.00 H new ATOM 173 N ILE B 18 14.223 5.115 -0.101 1.00 0.00 N ATOM 174 CA ILE B 18 14.838 5.878 0.975 1.00 0.00 C ATOM 175 C ILE B 18 14.273 7.295 0.995 1.00 0.00 C ATOM 176 O ILE B 18 13.519 7.693 0.107 1.00 0.00 O ATOM 177 CB ILE B 18 16.369 5.899 0.824 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.796 6.744 -0.383 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.907 4.477 0.701 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.308 6.968 -0.378 1.00 0.00 C ATOM 0 H ILE B 18 14.215 5.603 -0.997 1.00 0.00 H new ATOM 0 HA ILE B 18 14.605 5.396 1.925 1.00 0.00 H new ATOM 0 HB ILE B 18 16.792 6.358 1.718 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.500 6.245 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.281 7.704 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.991 4.506 0.595 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.645 3.910 1.595 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.469 3.997 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.590 7.569 -1.242 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.596 7.488 0.535 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.818 6.006 -0.424 1.00 0.00 H new ATOM 192 N TYR B 19 14.657 8.046 2.028 1.00 0.00 N ATOM 193 CA TYR B 19 14.200 9.408 2.269 1.00 0.00 C ATOM 194 C TYR B 19 15.298 10.454 2.100 1.00 0.00 C ATOM 195 O TYR B 19 16.473 10.166 2.319 1.00 0.00 O ATOM 196 CB TYR B 19 13.456 9.485 3.608 1.00 0.00 C ATOM 197 CG TYR B 19 13.591 10.792 4.361 1.00 0.00 C ATOM 198 CD1 TYR B 19 14.662 10.971 5.251 1.00 0.00 C ATOM 199 CD2 TYR B 19 12.640 11.809 4.197 1.00 0.00 C ATOM 200 CE1 TYR B 19 14.767 12.147 6.002 1.00 0.00 C ATOM 201 CE2 TYR B 19 12.737 12.992 4.947 1.00 0.00 C ATOM 202 CZ TYR B 19 13.801 13.161 5.858 1.00 0.00 C ATOM 203 OH TYR B 19 13.894 14.297 6.606 1.00 0.00 O ATOM 0 H TYR B 19 15.311 7.712 2.736 1.00 0.00 H new ATOM 0 HA TYR B 19 13.484 9.668 1.489 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.397 9.300 3.425 1.00 0.00 H new ATOM 0 HB3 TYR B 19 13.815 8.679 4.249 1.00 0.00 H new ATOM 0 HD1 TYR B 19 15.408 10.197 5.356 1.00 0.00 H new ATOM 0 HD2 TYR B 19 11.831 11.682 3.492 1.00 0.00 H new ATOM 0 HE1 TYR B 19 15.588 12.277 6.691 1.00 0.00 H new ATOM 0 HE2 TYR B 19 11.999 13.771 4.827 1.00 0.00 H new ATOM 0 HH TYR B 19 13.150 14.896 6.385 1.00 0.00 H new ATOM 213 N VAL B 20 14.908 11.670 1.704 1.00 0.00 N ATOM 214 CA VAL B 20 15.844 12.752 1.428 1.00 0.00 C ATOM 215 C VAL B 20 15.377 14.038 2.093 1.00 0.00 C ATOM 216 O VAL B 20 14.615 14.805 1.508 1.00 0.00 O ATOM 217 CB VAL B 20 16.002 12.931 -0.091 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.102 13.950 -0.389 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.356 11.602 -0.764 1.00 0.00 C ATOM 0 H VAL B 20 13.930 11.927 1.567 1.00 0.00 H new ATOM 0 HA VAL B 20 16.819 12.500 1.844 1.00 0.00 H new ATOM 0 HB VAL B 20 15.051 13.287 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.205 14.069 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.841 14.909 0.058 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.046 13.600 0.029 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.462 11.755 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.294 11.226 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.563 10.877 -0.578 1.00 0.00 H new ATOM 229 N GLY B 21 15.841 14.274 3.323 1.00 0.00 N ATOM 230 CA GLY B 21 15.490 15.470 4.074 1.00 0.00 C ATOM 231 C GLY B 21 16.492 16.592 3.841 1.00 0.00 C ATOM 232 O GLY B 21 17.584 16.363 3.319 1.00 0.00 O ATOM 0 H GLY B 21 16.468 13.641 3.820 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.494 15.804 3.782 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.448 15.234 5.137 1.00 0.00 H new ATOM 236 N ASN B 22 16.103 17.806 4.242 1.00 0.00 N ATOM 237 CA ASN B 22 16.885 19.023 4.040 1.00 0.00 C ATOM 238 C ASN B 22 17.137 19.293 2.554 1.00 0.00 C ATOM 239 O ASN B 22 18.065 20.018 2.205 1.00 0.00 O ATOM 240 CB ASN B 22 18.189 18.941 4.833 1.00 0.00 C ATOM 241 CG ASN B 22 18.846 20.311 4.954 1.00 0.00 C ATOM 242 OD1 ASN B 22 18.168 21.309 5.184 1.00 0.00 O ATOM 243 ND2 ASN B 22 20.164 20.366 4.804 1.00 0.00 N ATOM 0 H ASN B 22 15.219 17.970 4.724 1.00 0.00 H new ATOM 0 HA ASN B 22 16.310 19.870 4.414 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.989 18.541 5.827 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.873 18.248 4.343 1.00 0.00 H new ATOM 0 HD21 ASN B 22 20.649 21.260 4.879 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.692 19.514 4.614 1.00 0.00 H new ATOM 250 N LEU B 23 16.309 18.712 1.675 1.00 0.00 N ATOM 251 CA LEU B 23 16.401 18.960 0.246 1.00 0.00 C ATOM 252 C LEU B 23 16.012 20.417 -0.038 1.00 0.00 C ATOM 253 O LEU B 23 14.880 20.809 0.248 1.00 0.00 O ATOM 254 CB LEU B 23 15.463 17.992 -0.485 1.00 0.00 C ATOM 255 CG LEU B 23 15.492 18.205 -2.001 1.00 0.00 C ATOM 256 CD1 LEU B 23 16.772 17.612 -2.592 1.00 0.00 C ATOM 257 CD2 LEU B 23 14.288 17.503 -2.627 1.00 0.00 C ATOM 0 H LEU B 23 15.567 18.065 1.940 1.00 0.00 H new ATOM 0 HA LEU B 23 17.420 18.798 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU B 23 15.751 16.966 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU B 23 14.445 18.126 -0.119 1.00 0.00 H new ATOM 0 HG LEU B 23 15.460 19.274 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU B 23 16.782 17.769 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU B 23 17.639 18.100 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU B 23 16.809 16.543 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU B 23 14.302 17.650 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU B 23 14.333 16.437 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU B 23 13.369 17.921 -2.216 1.00 0.00 H new ATOM 366 N LYS B 30 16.537 17.892 -12.382 1.00 0.00 N ATOM 367 CA LYS B 30 17.211 16.670 -12.812 1.00 0.00 C ATOM 368 C LYS B 30 18.358 16.315 -11.872 1.00 0.00 C ATOM 369 O LYS B 30 18.678 15.141 -11.713 1.00 0.00 O ATOM 370 CB LYS B 30 17.708 16.873 -14.248 1.00 0.00 C ATOM 371 CG LYS B 30 18.268 15.574 -14.831 1.00 0.00 C ATOM 372 CD LYS B 30 17.132 14.634 -15.247 1.00 0.00 C ATOM 373 CE LYS B 30 17.673 13.233 -15.529 1.00 0.00 C ATOM 374 NZ LYS B 30 18.787 13.265 -16.496 1.00 0.00 N ATOM 0 HA LYS B 30 16.513 15.834 -12.783 1.00 0.00 H new ATOM 0 HB2 LYS B 30 16.889 17.231 -14.872 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.479 17.643 -14.263 1.00 0.00 H new ATOM 0 HG2 LYS B 30 18.896 15.797 -15.693 1.00 0.00 H new ATOM 0 HG3 LYS B 30 18.902 15.082 -14.094 1.00 0.00 H new ATOM 0 HD2 LYS B 30 16.382 14.589 -14.457 1.00 0.00 H new ATOM 0 HD3 LYS B 30 16.636 15.024 -16.136 1.00 0.00 H new ATOM 0 HE2 LYS B 30 18.012 12.779 -14.598 1.00 0.00 H new ATOM 0 HE3 LYS B 30 16.872 12.604 -15.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 18.950 12.308 -16.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 18.548 13.906 -17.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 19.649 13.603 -16.022 1.00 0.00 H new ATOM 388 N ASP B 31 18.983 17.311 -11.241 1.00 0.00 N ATOM 389 CA ASP B 31 20.019 17.040 -10.255 1.00 0.00 C ATOM 390 C ASP B 31 19.437 16.289 -9.059 1.00 0.00 C ATOM 391 O ASP B 31 20.170 15.663 -8.299 1.00 0.00 O ATOM 392 CB ASP B 31 20.691 18.336 -9.812 1.00 0.00 C ATOM 393 CG ASP B 31 21.476 19.006 -10.941 1.00 0.00 C ATOM 394 OD1 ASP B 31 21.975 20.125 -10.696 1.00 0.00 O ATOM 395 OD2 ASP B 31 21.566 18.401 -12.032 1.00 0.00 O ATOM 0 H ASP B 31 18.790 18.300 -11.396 1.00 0.00 H new ATOM 0 HA ASP B 31 20.778 16.407 -10.716 1.00 0.00 H new ATOM 0 HB2 ASP B 31 19.933 19.026 -9.442 1.00 0.00 H new ATOM 0 HB3 ASP B 31 21.364 18.126 -8.981 1.00 0.00 H new ATOM 400 N ILE B 32 18.112 16.355 -8.905 1.00 0.00 N ATOM 401 CA ILE B 32 17.406 15.685 -7.827 1.00 0.00 C ATOM 402 C ILE B 32 17.475 14.163 -7.991 1.00 0.00 C ATOM 403 O ILE B 32 17.203 13.435 -7.039 1.00 0.00 O ATOM 404 CB ILE B 32 15.952 16.182 -7.789 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.197 15.528 -6.628 1.00 0.00 C ATOM 406 CG2 ILE B 32 15.244 15.863 -9.110 1.00 0.00 C ATOM 407 CD1 ILE B 32 13.871 16.248 -6.365 1.00 0.00 C ATOM 0 H ILE B 32 17.502 16.879 -9.532 1.00 0.00 H new ATOM 0 HA ILE B 32 17.884 15.925 -6.877 1.00 0.00 H new ATOM 0 HB ILE B 32 15.962 17.262 -7.644 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.007 14.479 -6.857 1.00 0.00 H new ATOM 0 HG13 ILE B 32 15.813 15.551 -5.729 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.215 16.221 -9.067 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.766 16.355 -9.931 1.00 0.00 H new ATOM 0 HG23 ILE B 32 15.246 14.785 -9.273 1.00 0.00 H new ATOM 0 HD11 ILE B 32 13.353 15.765 -5.536 1.00 0.00 H new ATOM 0 HD12 ILE B 32 14.067 17.290 -6.113 1.00 0.00 H new ATOM 0 HD13 ILE B 32 13.248 16.202 -7.258 1.00 0.00 H new ATOM 419 N GLU B 33 17.838 13.671 -9.184 1.00 0.00 N ATOM 420 CA GLU B 33 17.970 12.236 -9.392 1.00 0.00 C ATOM 421 C GLU B 33 19.297 11.876 -10.060 1.00 0.00 C ATOM 422 O GLU B 33 19.748 10.743 -9.933 1.00 0.00 O ATOM 423 CB GLU B 33 16.778 11.719 -10.197 1.00 0.00 C ATOM 424 CG GLU B 33 16.716 12.346 -11.594 1.00 0.00 C ATOM 425 CD GLU B 33 15.527 11.818 -12.396 1.00 0.00 C ATOM 426 OE1 GLU B 33 14.839 10.905 -11.886 1.00 0.00 O ATOM 427 OE2 GLU B 33 15.320 12.335 -13.516 1.00 0.00 O ATOM 0 H GLU B 33 18.041 14.242 -10.004 1.00 0.00 H new ATOM 0 HA GLU B 33 17.973 11.747 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.845 10.635 -10.288 1.00 0.00 H new ATOM 0 HB3 GLU B 33 15.855 11.938 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU B 33 16.642 13.430 -11.504 1.00 0.00 H new ATOM 0 HG3 GLU B 33 17.641 12.133 -12.130 1.00 0.00 H new ATOM 434 N ASP B 34 19.934 12.817 -10.764 1.00 0.00 N ATOM 435 CA ASP B 34 21.239 12.555 -11.359 1.00 0.00 C ATOM 436 C ASP B 34 22.362 12.448 -10.330 1.00 0.00 C ATOM 437 O ASP B 34 23.338 11.729 -10.549 1.00 0.00 O ATOM 438 CB ASP B 34 21.567 13.573 -12.455 1.00 0.00 C ATOM 439 CG ASP B 34 20.837 13.272 -13.765 1.00 0.00 C ATOM 440 OD1 ASP B 34 20.060 12.293 -13.792 1.00 0.00 O ATOM 441 OD2 ASP B 34 21.069 14.028 -14.737 1.00 0.00 O ATOM 0 H ASP B 34 19.569 13.755 -10.932 1.00 0.00 H new ATOM 0 HA ASP B 34 21.170 11.572 -11.824 1.00 0.00 H new ATOM 0 HB2 ASP B 34 21.297 14.572 -12.112 1.00 0.00 H new ATOM 0 HB3 ASP B 34 22.642 13.577 -12.634 1.00 0.00 H new ATOM 446 N VAL B 35 22.231 13.157 -9.201 1.00 0.00 N ATOM 447 CA VAL B 35 23.193 13.016 -8.117 1.00 0.00 C ATOM 448 C VAL B 35 23.026 11.616 -7.537 1.00 0.00 C ATOM 449 O VAL B 35 24.005 10.943 -7.223 1.00 0.00 O ATOM 450 CB VAL B 35 22.926 14.078 -7.045 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.731 13.794 -5.777 1.00 0.00 C ATOM 452 CG2 VAL B 35 23.330 15.454 -7.576 1.00 0.00 C ATOM 0 H VAL B 35 21.479 13.822 -9.022 1.00 0.00 H new ATOM 0 HA VAL B 35 24.212 13.155 -8.479 1.00 0.00 H new ATOM 0 HB VAL B 35 21.863 14.055 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.522 14.563 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL B 35 23.451 12.819 -5.379 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.795 13.797 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL B 35 23.140 16.209 -6.813 1.00 0.00 H new ATOM 0 HG22 VAL B 35 24.391 15.450 -7.826 1.00 0.00 H new ATOM 0 HG23 VAL B 35 22.748 15.685 -8.468 1.00 0.00 H new ATOM 462 N PHE B 36 21.776 11.163 -7.399 1.00 0.00 N ATOM 463 CA PHE B 36 21.510 9.816 -6.936 1.00 0.00 C ATOM 464 C PHE B 36 21.944 8.746 -7.930 1.00 0.00 C ATOM 465 O PHE B 36 22.343 7.656 -7.531 1.00 0.00 O ATOM 466 CB PHE B 36 20.057 9.666 -6.492 1.00 0.00 C ATOM 467 CG PHE B 36 19.780 10.303 -5.148 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.978 9.570 -3.970 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.331 11.630 -5.082 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.736 10.165 -2.721 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.086 12.225 -3.833 1.00 0.00 C ATOM 472 CZ PHE B 36 19.294 11.493 -2.656 1.00 0.00 C ATOM 0 H PHE B 36 20.942 11.714 -7.603 1.00 0.00 H new ATOM 0 HA PHE B 36 22.133 9.650 -6.057 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.406 10.115 -7.242 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.805 8.607 -6.444 1.00 0.00 H new ATOM 0 HD1 PHE B 36 20.317 8.546 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.174 12.194 -5.990 1.00 0.00 H new ATOM 0 HE1 PHE B 36 19.890 9.601 -1.813 1.00 0.00 H new ATOM 0 HE2 PHE B 36 18.738 13.246 -3.780 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.113 11.954 -1.696 1.00 0.00 H new ATOM 482 N SER B 37 21.870 9.058 -9.229 1.00 0.00 N ATOM 483 CA SER B 37 22.340 8.147 -10.265 1.00 0.00 C ATOM 484 C SER B 37 23.856 7.959 -10.177 1.00 0.00 C ATOM 485 O SER B 37 24.376 6.934 -10.623 1.00 0.00 O ATOM 486 CB SER B 37 21.948 8.680 -11.646 1.00 0.00 C ATOM 487 OG SER B 37 20.550 8.581 -11.821 1.00 0.00 O ATOM 0 H SER B 37 21.488 9.935 -9.582 1.00 0.00 H new ATOM 0 HA SER B 37 21.869 7.176 -10.113 1.00 0.00 H new ATOM 0 HB2 SER B 37 22.263 9.718 -11.747 1.00 0.00 H new ATOM 0 HB3 SER B 37 22.461 8.114 -12.423 1.00 0.00 H new ATOM 0 HG SER B 37 20.102 9.253 -11.266 1.00 0.00 H new ATOM 493 N LYS B 38 24.566 8.938 -9.604 1.00 0.00 N ATOM 494 CA LYS B 38 25.989 8.796 -9.337 1.00 0.00 C ATOM 495 C LYS B 38 26.202 7.866 -8.139 1.00 0.00 C ATOM 496 O LYS B 38 27.175 7.118 -8.106 1.00 0.00 O ATOM 497 CB LYS B 38 26.607 10.183 -9.120 1.00 0.00 C ATOM 498 CG LYS B 38 28.086 10.111 -8.722 1.00 0.00 C ATOM 499 CD LYS B 38 28.245 10.081 -7.197 1.00 0.00 C ATOM 500 CE LYS B 38 29.725 10.019 -6.832 1.00 0.00 C ATOM 501 NZ LYS B 38 29.911 9.977 -5.370 1.00 0.00 N ATOM 0 H LYS B 38 24.172 9.835 -9.319 1.00 0.00 H new ATOM 0 HA LYS B 38 26.492 8.341 -10.190 1.00 0.00 H new ATOM 0 HB2 LYS B 38 26.508 10.768 -10.034 1.00 0.00 H new ATOM 0 HB3 LYS B 38 26.050 10.708 -8.344 1.00 0.00 H new ATOM 0 HG2 LYS B 38 28.540 9.220 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS B 38 28.618 10.971 -9.130 1.00 0.00 H new ATOM 0 HD2 LYS B 38 27.790 10.968 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.723 9.217 -6.785 1.00 0.00 H new ATOM 0 HE2 LYS B 38 30.177 9.137 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS B 38 30.240 10.887 -7.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 30.927 9.935 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 29.499 10.831 -4.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 29.438 9.135 -4.984 1.00 0.00 H new ATOM 515 N TYR B 39 25.292 7.912 -7.158 1.00 0.00 N ATOM 516 CA TYR B 39 25.338 7.007 -6.017 1.00 0.00 C ATOM 517 C TYR B 39 24.962 5.554 -6.311 1.00 0.00 C ATOM 518 O TYR B 39 25.327 4.659 -5.551 1.00 0.00 O ATOM 519 CB TYR B 39 24.537 7.566 -4.840 1.00 0.00 C ATOM 520 CG TYR B 39 25.280 8.609 -4.038 1.00 0.00 C ATOM 521 CD1 TYR B 39 26.181 8.205 -3.042 1.00 0.00 C ATOM 522 CD2 TYR B 39 25.066 9.972 -4.286 1.00 0.00 C ATOM 523 CE1 TYR B 39 26.887 9.166 -2.302 1.00 0.00 C ATOM 524 CE2 TYR B 39 25.771 10.938 -3.554 1.00 0.00 C ATOM 525 CZ TYR B 39 26.687 10.538 -2.562 1.00 0.00 C ATOM 526 OH TYR B 39 27.371 11.477 -1.850 1.00 0.00 O ATOM 0 H TYR B 39 24.514 8.572 -7.138 1.00 0.00 H new ATOM 0 HA TYR B 39 26.393 6.959 -5.746 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.612 8.002 -5.217 1.00 0.00 H new ATOM 0 HB3 TYR B 39 24.257 6.745 -4.180 1.00 0.00 H new ATOM 0 HD1 TYR B 39 26.332 7.154 -2.844 1.00 0.00 H new ATOM 0 HD2 TYR B 39 24.358 10.278 -5.041 1.00 0.00 H new ATOM 0 HE1 TYR B 39 27.582 8.856 -1.535 1.00 0.00 H new ATOM 0 HE2 TYR B 39 25.612 11.988 -3.751 1.00 0.00 H new ATOM 0 HH TYR B 39 27.785 12.117 -2.466 1.00 0.00 H new ATOM 536 N GLY B 40 24.237 5.310 -7.407 1.00 0.00 N ATOM 537 CA GLY B 40 23.856 3.954 -7.783 1.00 0.00 C ATOM 538 C GLY B 40 22.694 3.958 -8.772 1.00 0.00 C ATOM 539 O GLY B 40 22.327 5.004 -9.304 1.00 0.00 O ATOM 0 H GLY B 40 23.905 6.034 -8.044 1.00 0.00 H new ATOM 0 HA2 GLY B 40 24.711 3.443 -8.226 1.00 0.00 H new ATOM 0 HA3 GLY B 40 23.576 3.392 -6.892 1.00 0.00 H new ATOM 543 N ALA B 41 22.119 2.782 -9.019 1.00 0.00 N ATOM 544 CA ALA B 41 21.034 2.629 -9.973 1.00 0.00 C ATOM 545 C ALA B 41 19.683 2.951 -9.330 1.00 0.00 C ATOM 546 O ALA B 41 19.179 2.187 -8.508 1.00 0.00 O ATOM 547 CB ALA B 41 21.049 1.201 -10.516 1.00 0.00 C ATOM 0 H ALA B 41 22.395 1.913 -8.562 1.00 0.00 H new ATOM 0 HA ALA B 41 21.177 3.333 -10.793 1.00 0.00 H new ATOM 0 HB1 ALA B 41 20.238 1.076 -11.233 1.00 0.00 H new ATOM 0 HB2 ALA B 41 22.002 1.009 -11.009 1.00 0.00 H new ATOM 0 HB3 ALA B 41 20.918 0.498 -9.694 1.00 0.00 H new ATOM 553 N ILE B 42 19.102 4.089 -9.716 1.00 0.00 N ATOM 554 CA ILE B 42 17.760 4.497 -9.326 1.00 0.00 C ATOM 555 C ILE B 42 16.802 4.125 -10.453 1.00 0.00 C ATOM 556 O ILE B 42 17.184 4.149 -11.620 1.00 0.00 O ATOM 557 CB ILE B 42 17.726 6.009 -9.042 1.00 0.00 C ATOM 558 CG1 ILE B 42 18.282 6.333 -7.654 1.00 0.00 C ATOM 559 CG2 ILE B 42 16.294 6.547 -9.104 1.00 0.00 C ATOM 560 CD1 ILE B 42 19.783 6.066 -7.589 1.00 0.00 C ATOM 0 H ILE B 42 19.566 4.765 -10.323 1.00 0.00 H new ATOM 0 HA ILE B 42 17.458 3.987 -8.411 1.00 0.00 H new ATOM 0 HB ILE B 42 18.343 6.480 -9.807 1.00 0.00 H new ATOM 0 HG12 ILE B 42 18.084 7.378 -7.414 1.00 0.00 H new ATOM 0 HG13 ILE B 42 17.769 5.731 -6.904 1.00 0.00 H new ATOM 0 HG21 ILE B 42 16.298 7.618 -8.900 1.00 0.00 H new ATOM 0 HG22 ILE B 42 15.881 6.369 -10.097 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.682 6.038 -8.360 1.00 0.00 H new ATOM 0 HD11 ILE B 42 20.152 6.305 -6.592 1.00 0.00 H new ATOM 0 HD12 ILE B 42 19.975 5.015 -7.805 1.00 0.00 H new ATOM 0 HD13 ILE B 42 20.295 6.687 -8.324 1.00 0.00 H new ATOM 572 N ARG B 43 15.561 3.786 -10.105 1.00 0.00 N ATOM 573 CA ARG B 43 14.538 3.460 -11.085 1.00 0.00 C ATOM 574 C ARG B 43 13.397 4.479 -11.054 1.00 0.00 C ATOM 575 O ARG B 43 12.700 4.635 -12.055 1.00 0.00 O ATOM 576 CB ARG B 43 14.019 2.045 -10.817 1.00 0.00 C ATOM 577 CG ARG B 43 13.646 1.901 -9.342 1.00 0.00 C ATOM 578 CD ARG B 43 12.687 0.725 -9.137 1.00 0.00 C ATOM 579 NE ARG B 43 13.339 -0.564 -9.384 1.00 0.00 N ATOM 580 CZ ARG B 43 13.112 -1.663 -8.661 1.00 0.00 C ATOM 581 NH1 ARG B 43 12.249 -1.647 -7.649 1.00 0.00 N ATOM 582 NH2 ARG B 43 13.757 -2.788 -8.955 1.00 0.00 N ATOM 0 H ARG B 43 15.242 3.731 -9.138 1.00 0.00 H new ATOM 0 HA ARG B 43 14.975 3.499 -12.083 1.00 0.00 H new ATOM 0 HB2 ARG B 43 13.150 1.842 -11.443 1.00 0.00 H new ATOM 0 HB3 ARG B 43 14.781 1.312 -11.082 1.00 0.00 H new ATOM 0 HG2 ARG B 43 14.547 1.750 -8.747 1.00 0.00 H new ATOM 0 HG3 ARG B 43 13.181 2.821 -8.988 1.00 0.00 H new ATOM 0 HD2 ARG B 43 12.300 0.746 -8.118 1.00 0.00 H new ATOM 0 HD3 ARG B 43 11.833 0.833 -9.805 1.00 0.00 H new ATOM 0 HE ARG B 43 14.006 -0.625 -10.154 1.00 0.00 H new ATOM 0 HH11 ARG B 43 11.751 -0.788 -7.417 1.00 0.00 H new ATOM 0 HH12 ARG B 43 12.085 -2.494 -7.105 1.00 0.00 H new ATOM 0 HH21 ARG B 43 14.421 -2.808 -9.729 1.00 0.00 H new ATOM 0 HH22 ARG B 43 13.588 -3.631 -8.406 1.00 0.00 H new ATOM 596 N ASP B 44 13.210 5.163 -9.920 1.00 0.00 N ATOM 597 CA ASP B 44 12.142 6.149 -9.758 1.00 0.00 C ATOM 598 C ASP B 44 12.467 7.261 -8.765 1.00 0.00 C ATOM 599 O ASP B 44 13.327 7.106 -7.900 1.00 0.00 O ATOM 600 CB ASP B 44 10.822 5.458 -9.392 1.00 0.00 C ATOM 601 CG ASP B 44 10.115 4.860 -10.606 1.00 0.00 C ATOM 602 OD1 ASP B 44 10.035 5.565 -11.636 1.00 0.00 O ATOM 603 OD2 ASP B 44 9.657 3.701 -10.488 1.00 0.00 O ATOM 0 H ASP B 44 13.794 5.047 -9.092 1.00 0.00 H new ATOM 0 HA ASP B 44 12.039 6.641 -10.725 1.00 0.00 H new ATOM 0 HB2 ASP B 44 11.018 4.669 -8.666 1.00 0.00 H new ATOM 0 HB3 ASP B 44 10.161 6.178 -8.910 1.00 0.00 H new ATOM 608 N ILE B 45 11.758 8.385 -8.899 1.00 0.00 N ATOM 609 CA ILE B 45 11.871 9.523 -8.000 1.00 0.00 C ATOM 610 C ILE B 45 10.488 9.844 -7.442 1.00 0.00 C ATOM 611 O ILE B 45 9.475 9.448 -8.020 1.00 0.00 O ATOM 612 CB ILE B 45 12.468 10.717 -8.759 1.00 0.00 C ATOM 613 CG1 ILE B 45 12.965 11.819 -7.815 1.00 0.00 C ATOM 614 CG2 ILE B 45 11.418 11.326 -9.687 1.00 0.00 C ATOM 615 CD1 ILE B 45 14.100 11.312 -6.929 1.00 0.00 C ATOM 0 H ILE B 45 11.081 8.526 -9.648 1.00 0.00 H new ATOM 0 HA ILE B 45 12.536 9.294 -7.167 1.00 0.00 H new ATOM 0 HB ILE B 45 13.317 10.334 -9.326 1.00 0.00 H new ATOM 0 HG12 ILE B 45 13.308 12.674 -8.398 1.00 0.00 H new ATOM 0 HG13 ILE B 45 12.141 12.168 -7.192 1.00 0.00 H new ATOM 0 HG21 ILE B 45 11.851 12.172 -10.221 1.00 0.00 H new ATOM 0 HG22 ILE B 45 11.087 10.575 -10.404 1.00 0.00 H new ATOM 0 HG23 ILE B 45 10.566 11.666 -9.099 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.433 12.114 -6.270 1.00 0.00 H new ATOM 0 HD12 ILE B 45 13.747 10.473 -6.330 1.00 0.00 H new ATOM 0 HD13 ILE B 45 14.932 10.987 -7.554 1.00 0.00 H new ATOM 627 N ASP B 46 10.439 10.554 -6.318 1.00 0.00 N ATOM 628 CA ASP B 46 9.188 10.869 -5.655 1.00 0.00 C ATOM 629 C ASP B 46 9.314 12.161 -4.845 1.00 0.00 C ATOM 630 O ASP B 46 9.192 12.152 -3.619 1.00 0.00 O ATOM 631 CB ASP B 46 8.800 9.678 -4.779 1.00 0.00 C ATOM 632 CG ASP B 46 7.468 9.889 -4.064 1.00 0.00 C ATOM 633 OD1 ASP B 46 7.231 9.151 -3.083 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.705 10.777 -4.500 1.00 0.00 O ATOM 0 H ASP B 46 11.265 10.923 -5.847 1.00 0.00 H new ATOM 0 HA ASP B 46 8.401 11.042 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.740 8.781 -5.396 1.00 0.00 H new ATOM 0 HB3 ASP B 46 9.582 9.504 -4.040 1.00 0.00 H new ATOM 639 N LEU B 47 9.567 13.279 -5.539 1.00 0.00 N ATOM 640 CA LEU B 47 9.611 14.595 -4.913 1.00 0.00 C ATOM 641 C LEU B 47 8.235 14.948 -4.337 1.00 0.00 C ATOM 642 O LEU B 47 7.215 14.736 -4.990 1.00 0.00 O ATOM 643 CB LEU B 47 10.061 15.628 -5.956 1.00 0.00 C ATOM 644 CG LEU B 47 9.921 17.069 -5.452 1.00 0.00 C ATOM 645 CD1 LEU B 47 10.850 17.333 -4.269 1.00 0.00 C ATOM 646 CD2 LEU B 47 10.283 18.030 -6.584 1.00 0.00 C ATOM 0 H LEU B 47 9.745 13.291 -6.543 1.00 0.00 H new ATOM 0 HA LEU B 47 10.325 14.594 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.100 15.440 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU B 47 9.470 15.505 -6.864 1.00 0.00 H new ATOM 0 HG LEU B 47 8.891 17.221 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU B 47 10.728 18.363 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU B 47 10.602 16.654 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU B 47 11.884 17.171 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU B 47 10.186 19.058 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU B 47 11.311 17.850 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU B 47 9.611 17.869 -7.427 1.00 0.00 H new ATOM 658 N LYS B 48 8.217 15.487 -3.114 1.00 0.00 N ATOM 659 CA LYS B 48 7.004 15.846 -2.410 1.00 0.00 C ATOM 660 C LYS B 48 7.177 17.156 -1.641 1.00 0.00 C ATOM 661 O LYS B 48 8.260 17.736 -1.613 1.00 0.00 O ATOM 662 CB LYS B 48 6.648 14.707 -1.464 1.00 0.00 C ATOM 663 CG LYS B 48 6.030 13.536 -2.232 1.00 0.00 C ATOM 664 CD LYS B 48 5.523 12.460 -1.269 1.00 0.00 C ATOM 665 CE LYS B 48 6.666 11.887 -0.429 1.00 0.00 C ATOM 666 NZ LYS B 48 7.654 11.187 -1.270 1.00 0.00 N ATOM 0 H LYS B 48 9.066 15.686 -2.585 1.00 0.00 H new ATOM 0 HA LYS B 48 6.198 16.002 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.542 14.372 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS B 48 5.948 15.062 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.206 13.895 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.771 13.107 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS B 48 4.763 12.884 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS B 48 5.046 11.659 -1.833 1.00 0.00 H new ATOM 0 HE2 LYS B 48 7.157 12.692 0.118 1.00 0.00 H new ATOM 0 HE3 LYS B 48 6.264 11.197 0.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 8.449 10.869 -0.680 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 7.206 10.363 -1.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 8.005 11.834 -2.005 1.00 0.00 H new ATOM 680 N ASN B 49 6.093 17.621 -1.013 1.00 0.00 N ATOM 681 CA ASN B 49 6.089 18.866 -0.257 1.00 0.00 C ATOM 682 C ASN B 49 5.189 18.747 0.974 1.00 0.00 C ATOM 683 O ASN B 49 4.557 17.711 1.192 1.00 0.00 O ATOM 684 CB ASN B 49 5.658 20.020 -1.171 1.00 0.00 C ATOM 685 CG ASN B 49 4.345 19.738 -1.895 1.00 0.00 C ATOM 686 OD1 ASN B 49 3.510 18.972 -1.419 1.00 0.00 O ATOM 687 ND2 ASN B 49 4.156 20.362 -3.054 1.00 0.00 N ATOM 0 H ASN B 49 5.194 17.140 -1.018 1.00 0.00 H new ATOM 0 HA ASN B 49 7.096 19.075 0.103 1.00 0.00 H new ATOM 0 HB2 ASN B 49 5.553 20.928 -0.578 1.00 0.00 H new ATOM 0 HB3 ASN B 49 6.441 20.208 -1.906 1.00 0.00 H new ATOM 0 HD21 ASN B 49 3.295 20.212 -3.580 1.00 0.00 H new ATOM 0 HD22 ASN B 49 4.872 20.991 -3.417 1.00 0.00 H new ATOM 770 N PRO B 55 10.825 21.405 1.410 1.00 0.00 N ATOM 771 CA PRO B 55 10.362 20.221 0.711 1.00 0.00 C ATOM 772 C PRO B 55 11.254 19.025 1.039 1.00 0.00 C ATOM 773 O PRO B 55 12.286 19.172 1.696 1.00 0.00 O ATOM 774 CB PRO B 55 10.435 20.570 -0.774 1.00 0.00 C ATOM 775 CG PRO B 55 11.517 21.650 -0.850 1.00 0.00 C ATOM 776 CD PRO B 55 11.416 22.365 0.497 1.00 0.00 C ATOM 0 HA PRO B 55 9.350 19.942 1.005 1.00 0.00 H new ATOM 0 HB2 PRO B 55 10.697 19.700 -1.376 1.00 0.00 H new ATOM 0 HB3 PRO B 55 9.478 20.937 -1.145 1.00 0.00 H new ATOM 0 HG2 PRO B 55 12.506 21.216 -0.999 1.00 0.00 H new ATOM 0 HG3 PRO B 55 11.341 22.334 -1.680 1.00 0.00 H new ATOM 0 HD2 PRO B 55 12.399 22.683 0.846 1.00 0.00 H new ATOM 0 HD3 PRO B 55 10.800 23.261 0.419 1.00 0.00 H new ATOM 784 N PHE B 56 10.855 17.838 0.582 1.00 0.00 N ATOM 785 CA PHE B 56 11.617 16.623 0.814 1.00 0.00 C ATOM 786 C PHE B 56 11.235 15.668 -0.312 1.00 0.00 C ATOM 787 O PHE B 56 10.271 15.907 -1.036 1.00 0.00 O ATOM 788 CB PHE B 56 11.216 16.033 2.171 1.00 0.00 C ATOM 789 CG PHE B 56 9.924 15.244 2.160 1.00 0.00 C ATOM 790 CD1 PHE B 56 9.949 13.873 2.453 1.00 0.00 C ATOM 791 CD2 PHE B 56 8.704 15.877 1.872 1.00 0.00 C ATOM 792 CE1 PHE B 56 8.757 13.137 2.491 1.00 0.00 C ATOM 793 CE2 PHE B 56 7.514 15.138 1.890 1.00 0.00 C ATOM 794 CZ PHE B 56 7.539 13.770 2.204 1.00 0.00 C ATOM 0 H PHE B 56 9.999 17.698 0.045 1.00 0.00 H new ATOM 0 HA PHE B 56 12.692 16.804 0.827 1.00 0.00 H new ATOM 0 HB2 PHE B 56 12.019 15.385 2.522 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.124 16.845 2.892 1.00 0.00 H new ATOM 0 HD1 PHE B 56 10.891 13.382 2.650 1.00 0.00 H new ATOM 0 HD2 PHE B 56 8.683 16.931 1.637 1.00 0.00 H new ATOM 0 HE1 PHE B 56 8.776 12.086 2.740 1.00 0.00 H new ATOM 0 HE2 PHE B 56 6.576 15.622 1.662 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.619 13.204 2.225 1.00 0.00 H new ATOM 804 N ALA B 57 11.987 14.581 -0.474 1.00 0.00 N ATOM 805 CA ALA B 57 11.753 13.665 -1.575 1.00 0.00 C ATOM 806 C ALA B 57 12.067 12.229 -1.189 1.00 0.00 C ATOM 807 O ALA B 57 12.837 11.973 -0.266 1.00 0.00 O ATOM 808 CB ALA B 57 12.606 14.093 -2.773 1.00 0.00 C ATOM 0 H ALA B 57 12.757 14.319 0.141 1.00 0.00 H new ATOM 0 HA ALA B 57 10.696 13.704 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.435 13.409 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.331 15.104 -3.073 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.660 14.071 -2.496 1.00 0.00 H new ATOM 814 N PHE B 58 11.455 11.299 -1.920 1.00 0.00 N ATOM 815 CA PHE B 58 11.770 9.884 -1.854 1.00 0.00 C ATOM 816 C PHE B 58 12.533 9.402 -3.084 1.00 0.00 C ATOM 817 O PHE B 58 12.370 9.952 -4.171 1.00 0.00 O ATOM 818 CB PHE B 58 10.517 9.050 -1.562 1.00 0.00 C ATOM 819 CG PHE B 58 10.251 8.811 -0.095 1.00 0.00 C ATOM 820 CD1 PHE B 58 9.934 7.519 0.341 1.00 0.00 C ATOM 821 CD2 PHE B 58 10.323 9.862 0.832 1.00 0.00 C ATOM 822 CE1 PHE B 58 9.738 7.265 1.704 1.00 0.00 C ATOM 823 CE2 PHE B 58 10.103 9.611 2.193 1.00 0.00 C ATOM 824 CZ PHE B 58 9.814 8.312 2.629 1.00 0.00 C ATOM 0 H PHE B 58 10.713 11.518 -2.585 1.00 0.00 H new ATOM 0 HA PHE B 58 12.449 9.738 -1.014 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.653 9.551 -1.998 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.613 8.086 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE B 58 9.840 6.716 -0.376 1.00 0.00 H new ATOM 0 HD2 PHE B 58 10.548 10.864 0.497 1.00 0.00 H new ATOM 0 HE1 PHE B 58 9.528 6.261 2.041 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.156 10.420 2.906 1.00 0.00 H new ATOM 0 HZ PHE B 58 9.650 8.118 3.679 1.00 0.00 H new ATOM 834 N VAL B 59 13.364 8.377 -2.910 1.00 0.00 N ATOM 835 CA VAL B 59 14.166 7.822 -3.988 1.00 0.00 C ATOM 836 C VAL B 59 14.005 6.311 -3.968 1.00 0.00 C ATOM 837 O VAL B 59 14.012 5.711 -2.896 1.00 0.00 O ATOM 838 CB VAL B 59 15.635 8.219 -3.795 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.520 7.523 -4.829 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.805 9.730 -3.939 1.00 0.00 C ATOM 0 H VAL B 59 13.498 7.909 -2.013 1.00 0.00 H new ATOM 0 HA VAL B 59 13.837 8.209 -4.952 1.00 0.00 H new ATOM 0 HB VAL B 59 15.934 7.911 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.558 7.817 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.429 6.443 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL B 59 16.205 7.812 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.853 9.993 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL B 59 15.483 10.039 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL B 59 15.200 10.237 -3.188 1.00 0.00 H new ATOM 850 N GLU B 60 13.862 5.693 -5.141 1.00 0.00 N ATOM 851 CA GLU B 60 13.642 4.259 -5.232 1.00 0.00 C ATOM 852 C GLU B 60 14.730 3.603 -6.074 1.00 0.00 C ATOM 853 O GLU B 60 14.878 3.908 -7.260 1.00 0.00 O ATOM 854 CB GLU B 60 12.247 3.996 -5.807 1.00 0.00 C ATOM 855 CG GLU B 60 11.983 2.491 -5.849 1.00 0.00 C ATOM 856 CD GLU B 60 10.542 2.172 -6.252 1.00 0.00 C ATOM 857 OE1 GLU B 60 10.298 0.991 -6.585 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.708 3.104 -6.219 1.00 0.00 O ATOM 0 H GLU B 60 13.896 6.170 -6.042 1.00 0.00 H new ATOM 0 HA GLU B 60 13.694 3.817 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.492 4.491 -5.196 1.00 0.00 H new ATOM 0 HB3 GLU B 60 12.171 4.417 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.669 2.022 -6.555 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.189 2.059 -4.870 1.00 0.00 H new ATOM 865 N PHE B 61 15.487 2.696 -5.449 1.00 0.00 N ATOM 866 CA PHE B 61 16.601 2.016 -6.090 1.00 0.00 C ATOM 867 C PHE B 61 16.234 0.767 -6.888 1.00 0.00 C ATOM 868 O PHE B 61 15.255 0.089 -6.587 1.00 0.00 O ATOM 869 CB PHE B 61 17.713 1.740 -5.080 1.00 0.00 C ATOM 870 CG PHE B 61 18.536 2.963 -4.758 1.00 0.00 C ATOM 871 CD1 PHE B 61 18.084 3.881 -3.800 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.751 3.184 -5.424 1.00 0.00 C ATOM 873 CE1 PHE B 61 18.844 5.023 -3.516 1.00 0.00 C ATOM 874 CE2 PHE B 61 20.511 4.326 -5.139 1.00 0.00 C ATOM 875 CZ PHE B 61 20.054 5.245 -4.186 1.00 0.00 C ATOM 0 H PHE B 61 15.338 2.416 -4.480 1.00 0.00 H new ATOM 0 HA PHE B 61 16.965 2.710 -6.847 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.273 1.353 -4.161 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.368 0.962 -5.473 1.00 0.00 H new ATOM 0 HD1 PHE B 61 17.152 3.708 -3.282 1.00 0.00 H new ATOM 0 HD2 PHE B 61 20.101 2.473 -6.157 1.00 0.00 H new ATOM 0 HE1 PHE B 61 18.497 5.733 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE B 61 21.446 4.497 -5.652 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.636 6.128 -3.967 1.00 0.00 H new ATOM 885 N GLU B 62 17.038 0.468 -7.911 1.00 0.00 N ATOM 886 CA GLU B 62 16.921 -0.757 -8.691 1.00 0.00 C ATOM 887 C GLU B 62 17.545 -1.927 -7.920 1.00 0.00 C ATOM 888 O GLU B 62 17.267 -3.089 -8.216 1.00 0.00 O ATOM 889 CB GLU B 62 17.617 -0.538 -10.042 1.00 0.00 C ATOM 890 CG GLU B 62 17.718 -1.809 -10.898 1.00 0.00 C ATOM 891 CD GLU B 62 16.355 -2.372 -11.308 1.00 0.00 C ATOM 892 OE1 GLU B 62 15.333 -1.722 -10.989 1.00 0.00 O ATOM 893 OE2 GLU B 62 16.354 -3.450 -11.941 1.00 0.00 O ATOM 0 H GLU B 62 17.794 1.078 -8.221 1.00 0.00 H new ATOM 0 HA GLU B 62 15.874 -1.003 -8.867 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.074 0.224 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.620 -0.149 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.298 -1.590 -11.795 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.266 -2.570 -10.343 1.00 0.00 H new ATOM 900 N ASP B 63 18.384 -1.606 -6.931 1.00 0.00 N ATOM 901 CA ASP B 63 19.063 -2.591 -6.103 1.00 0.00 C ATOM 902 C ASP B 63 19.277 -2.034 -4.692 1.00 0.00 C ATOM 903 O ASP B 63 19.953 -1.016 -4.539 1.00 0.00 O ATOM 904 CB ASP B 63 20.381 -2.988 -6.778 1.00 0.00 C ATOM 905 CG ASP B 63 21.262 -3.892 -5.920 1.00 0.00 C ATOM 906 OD1 ASP B 63 22.397 -4.167 -6.369 1.00 0.00 O ATOM 907 OD2 ASP B 63 20.808 -4.300 -4.830 1.00 0.00 O ATOM 0 H ASP B 63 18.609 -0.642 -6.685 1.00 0.00 H new ATOM 0 HA ASP B 63 18.452 -3.488 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.160 -3.496 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.937 -2.085 -7.028 1.00 0.00 H new ATOM 912 N PRO B 64 18.716 -2.684 -3.660 1.00 0.00 N ATOM 913 CA PRO B 64 18.801 -2.224 -2.281 1.00 0.00 C ATOM 914 C PRO B 64 20.236 -2.007 -1.803 1.00 0.00 C ATOM 915 O PRO B 64 20.450 -1.282 -0.832 1.00 0.00 O ATOM 916 CB PRO B 64 18.112 -3.304 -1.446 1.00 0.00 C ATOM 917 CG PRO B 64 17.184 -4.013 -2.431 1.00 0.00 C ATOM 918 CD PRO B 64 17.914 -3.890 -3.765 1.00 0.00 C ATOM 0 HA PRO B 64 18.324 -1.249 -2.183 1.00 0.00 H new ATOM 0 HB2 PRO B 64 18.836 -3.995 -1.015 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.554 -2.869 -0.617 1.00 0.00 H new ATOM 0 HG2 PRO B 64 17.027 -5.056 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO B 64 16.202 -3.542 -2.467 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.540 -4.762 -3.951 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.209 -3.821 -4.593 1.00 0.00 H new ATOM 926 N ARG B 65 21.227 -2.622 -2.466 1.00 0.00 N ATOM 927 CA ARG B 65 22.620 -2.456 -2.075 1.00 0.00 C ATOM 928 C ARG B 65 23.107 -1.041 -2.376 1.00 0.00 C ATOM 929 O ARG B 65 23.946 -0.513 -1.651 1.00 0.00 O ATOM 930 CB ARG B 65 23.479 -3.503 -2.800 1.00 0.00 C ATOM 931 CG ARG B 65 24.973 -3.301 -2.531 1.00 0.00 C ATOM 932 CD ARG B 65 25.279 -3.378 -1.032 1.00 0.00 C ATOM 933 NE ARG B 65 26.706 -3.176 -0.769 1.00 0.00 N ATOM 934 CZ ARG B 65 27.280 -1.977 -0.656 1.00 0.00 C ATOM 935 NH1 ARG B 65 26.563 -0.865 -0.791 1.00 0.00 N ATOM 936 NH2 ARG B 65 28.585 -1.884 -0.406 1.00 0.00 N ATOM 0 H ARG B 65 21.083 -3.234 -3.270 1.00 0.00 H new ATOM 0 HA ARG B 65 22.710 -2.607 -0.999 1.00 0.00 H new ATOM 0 HB2 ARG B 65 23.184 -4.501 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG B 65 23.292 -3.446 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG B 65 25.547 -4.060 -3.062 1.00 0.00 H new ATOM 0 HG3 ARG B 65 25.288 -2.333 -2.920 1.00 0.00 H new ATOM 0 HD2 ARG B 65 24.699 -2.623 -0.501 1.00 0.00 H new ATOM 0 HD3 ARG B 65 24.970 -4.349 -0.645 1.00 0.00 H new ATOM 0 HE ARG B 65 27.296 -4.002 -0.666 1.00 0.00 H new ATOM 0 HH11 ARG B 65 25.563 -0.923 -0.983 1.00 0.00 H new ATOM 0 HH12 ARG B 65 27.013 0.046 -0.702 1.00 0.00 H new ATOM 0 HH21 ARG B 65 29.146 -2.730 -0.301 1.00 0.00 H new ATOM 0 HH22 ARG B 65 29.024 -0.967 -0.320 1.00 0.00 H new ATOM 950 N ASP B 66 22.589 -0.423 -3.440 1.00 0.00 N ATOM 951 CA ASP B 66 22.983 0.925 -3.821 1.00 0.00 C ATOM 952 C ASP B 66 22.396 1.988 -2.896 1.00 0.00 C ATOM 953 O ASP B 66 22.944 3.083 -2.769 1.00 0.00 O ATOM 954 CB ASP B 66 22.589 1.194 -5.273 1.00 0.00 C ATOM 955 CG ASP B 66 23.438 0.402 -6.267 1.00 0.00 C ATOM 956 OD1 ASP B 66 23.163 0.545 -7.479 1.00 0.00 O ATOM 957 OD2 ASP B 66 24.347 -0.331 -5.819 1.00 0.00 O ATOM 0 H ASP B 66 21.891 -0.843 -4.054 1.00 0.00 H new ATOM 0 HA ASP B 66 24.067 0.989 -3.723 1.00 0.00 H new ATOM 0 HB2 ASP B 66 21.539 0.940 -5.414 1.00 0.00 H new ATOM 0 HB3 ASP B 66 22.690 2.259 -5.482 1.00 0.00 H new ATOM 962 N ALA B 67 21.278 1.659 -2.245 1.00 0.00 N ATOM 963 CA ALA B 67 20.626 2.584 -1.340 1.00 0.00 C ATOM 964 C ALA B 67 21.488 2.805 -0.099 1.00 0.00 C ATOM 965 O ALA B 67 21.372 3.836 0.560 1.00 0.00 O ATOM 966 CB ALA B 67 19.263 2.021 -0.951 1.00 0.00 C ATOM 0 H ALA B 67 20.812 0.756 -2.334 1.00 0.00 H new ATOM 0 HA ALA B 67 20.491 3.546 -1.834 1.00 0.00 H new ATOM 0 HB1 ALA B 67 18.765 2.711 -0.270 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.654 1.892 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA B 67 19.394 1.057 -0.459 1.00 0.00 H new ATOM 972 N GLU B 68 22.357 1.841 0.220 1.00 0.00 N ATOM 973 CA GLU B 68 23.243 1.955 1.367 1.00 0.00 C ATOM 974 C GLU B 68 24.364 2.950 1.077 1.00 0.00 C ATOM 975 O GLU B 68 24.888 3.570 2.002 1.00 0.00 O ATOM 976 CB GLU B 68 23.833 0.581 1.694 1.00 0.00 C ATOM 977 CG GLU B 68 22.715 -0.417 2.022 1.00 0.00 C ATOM 978 CD GLU B 68 23.272 -1.774 2.459 1.00 0.00 C ATOM 979 OE1 GLU B 68 24.509 -1.952 2.393 1.00 0.00 O ATOM 980 OE2 GLU B 68 22.441 -2.624 2.857 1.00 0.00 O ATOM 0 H GLU B 68 22.461 0.973 -0.306 1.00 0.00 H new ATOM 0 HA GLU B 68 22.673 2.317 2.222 1.00 0.00 H new ATOM 0 HB2 GLU B 68 24.416 0.218 0.848 1.00 0.00 H new ATOM 0 HB3 GLU B 68 24.515 0.663 2.540 1.00 0.00 H new ATOM 0 HG2 GLU B 68 22.086 -0.010 2.814 1.00 0.00 H new ATOM 0 HG3 GLU B 68 22.079 -0.550 1.147 1.00 0.00 H new ATOM 987 N ASP B 69 24.735 3.112 -0.199 1.00 0.00 N ATOM 988 CA ASP B 69 25.797 4.034 -0.578 1.00 0.00 C ATOM 989 C ASP B 69 25.329 5.486 -0.590 1.00 0.00 C ATOM 990 O ASP B 69 26.075 6.378 -0.192 1.00 0.00 O ATOM 991 CB ASP B 69 26.385 3.635 -1.935 1.00 0.00 C ATOM 992 CG ASP B 69 27.180 2.330 -1.868 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.638 1.889 -2.945 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.330 1.785 -0.751 1.00 0.00 O ATOM 0 H ASP B 69 24.312 2.614 -0.982 1.00 0.00 H new ATOM 0 HA ASP B 69 26.577 3.964 0.180 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.578 3.528 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP B 69 27.033 4.434 -2.295 1.00 0.00 H new ATOM 999 N ALA B 70 24.096 5.730 -1.045 1.00 0.00 N ATOM 1000 CA ALA B 70 23.534 7.068 -1.070 1.00 0.00 C ATOM 1001 C ALA B 70 23.232 7.543 0.348 1.00 0.00 C ATOM 1002 O ALA B 70 23.302 8.739 0.632 1.00 0.00 O ATOM 1003 CB ALA B 70 22.259 7.059 -1.913 1.00 0.00 C ATOM 0 H ALA B 70 23.471 5.007 -1.402 1.00 0.00 H new ATOM 0 HA ALA B 70 24.254 7.757 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.831 8.061 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.496 6.742 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.539 6.367 -1.476 1.00 0.00 H new ATOM 1009 N VAL B 71 22.894 6.609 1.240 1.00 0.00 N ATOM 1010 CA VAL B 71 22.575 6.950 2.615 1.00 0.00 C ATOM 1011 C VAL B 71 23.872 7.140 3.398 1.00 0.00 C ATOM 1012 O VAL B 71 23.993 8.092 4.164 1.00 0.00 O ATOM 1013 CB VAL B 71 21.724 5.832 3.226 1.00 0.00 C ATOM 1014 CG1 VAL B 71 21.655 5.954 4.750 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.306 5.918 2.654 1.00 0.00 C ATOM 0 H VAL B 71 22.836 5.613 1.028 1.00 0.00 H new ATOM 0 HA VAL B 71 22.007 7.879 2.654 1.00 0.00 H new ATOM 0 HB VAL B 71 22.183 4.875 2.979 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.044 5.146 5.152 1.00 0.00 H new ATOM 0 HG12 VAL B 71 22.660 5.890 5.166 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.211 6.913 5.019 1.00 0.00 H new ATOM 0 HG21 VAL B 71 19.692 5.126 3.083 1.00 0.00 H new ATOM 0 HG22 VAL B 71 19.872 6.887 2.901 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.343 5.802 1.571 1.00 0.00 H new ATOM 1025 N SER B 72 24.846 6.249 3.213 1.00 0.00 N ATOM 1026 CA SER B 72 26.096 6.317 3.955 1.00 0.00 C ATOM 1027 C SER B 72 26.896 7.568 3.576 1.00 0.00 C ATOM 1028 O SER B 72 27.761 8.004 4.339 1.00 0.00 O ATOM 1029 CB SER B 72 26.910 5.047 3.679 1.00 0.00 C ATOM 1030 OG SER B 72 28.144 5.093 4.366 1.00 0.00 O ATOM 0 H SER B 72 24.789 5.472 2.554 1.00 0.00 H new ATOM 0 HA SER B 72 25.876 6.384 5.020 1.00 0.00 H new ATOM 0 HB2 SER B 72 26.344 4.170 3.993 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.086 4.946 2.608 1.00 0.00 H new ATOM 0 HG SER B 72 28.652 4.275 4.182 1.00 0.00 H new ATOM 1036 N GLY B 73 26.613 8.144 2.404 1.00 0.00 N ATOM 1037 CA GLY B 73 27.351 9.296 1.913 1.00 0.00 C ATOM 1038 C GLY B 73 26.731 10.630 2.330 1.00 0.00 C ATOM 1039 O GLY B 73 27.394 11.660 2.227 1.00 0.00 O ATOM 0 H GLY B 73 25.873 7.824 1.780 1.00 0.00 H new ATOM 0 HA2 GLY B 73 28.375 9.248 2.282 1.00 0.00 H new ATOM 0 HA3 GLY B 73 27.402 9.250 0.825 1.00 0.00 H new ATOM 1043 N ARG B 74 25.473 10.632 2.797 1.00 0.00 N ATOM 1044 CA ARG B 74 24.755 11.880 3.058 1.00 0.00 C ATOM 1045 C ARG B 74 23.772 11.773 4.229 1.00 0.00 C ATOM 1046 O ARG B 74 22.837 12.567 4.328 1.00 0.00 O ATOM 1047 CB ARG B 74 24.033 12.338 1.784 1.00 0.00 C ATOM 1048 CG ARG B 74 25.036 12.680 0.684 1.00 0.00 C ATOM 1049 CD ARG B 74 24.312 13.269 -0.524 1.00 0.00 C ATOM 1050 NE ARG B 74 25.269 13.622 -1.581 1.00 0.00 N ATOM 1051 CZ ARG B 74 25.177 14.719 -2.335 1.00 0.00 C ATOM 1052 NH1 ARG B 74 24.167 15.576 -2.185 1.00 0.00 N ATOM 1053 NH2 ARG B 74 26.106 14.966 -3.255 1.00 0.00 N ATOM 0 H ARG B 74 24.938 9.787 2.999 1.00 0.00 H new ATOM 0 HA ARG B 74 25.496 12.624 3.350 1.00 0.00 H new ATOM 0 HB2 ARG B 74 23.362 11.552 1.439 1.00 0.00 H new ATOM 0 HB3 ARG B 74 23.416 13.210 2.004 1.00 0.00 H new ATOM 0 HG2 ARG B 74 25.771 13.392 1.060 1.00 0.00 H new ATOM 0 HG3 ARG B 74 25.583 11.784 0.389 1.00 0.00 H new ATOM 0 HD2 ARG B 74 23.588 12.549 -0.907 1.00 0.00 H new ATOM 0 HD3 ARG B 74 23.752 14.154 -0.223 1.00 0.00 H new ATOM 0 HE ARG B 74 26.052 12.990 -1.749 1.00 0.00 H new ATOM 0 HH11 ARG B 74 23.447 15.399 -1.484 1.00 0.00 H new ATOM 0 HH12 ARG B 74 24.114 16.409 -2.771 1.00 0.00 H new ATOM 0 HH21 ARG B 74 26.884 14.318 -3.381 1.00 0.00 H new ATOM 0 HH22 ARG B 74 26.040 15.803 -3.834 1.00 0.00 H new ATOM 1067 N ASP B 75 23.975 10.800 5.121 1.00 0.00 N ATOM 1068 CA ASP B 75 23.133 10.635 6.306 1.00 0.00 C ATOM 1069 C ASP B 75 23.317 11.752 7.339 1.00 0.00 C ATOM 1070 O ASP B 75 22.691 11.723 8.398 1.00 0.00 O ATOM 1071 CB ASP B 75 23.342 9.255 6.949 1.00 0.00 C ATOM 1072 CG ASP B 75 24.814 8.897 7.149 1.00 0.00 C ATOM 1073 OD1 ASP B 75 25.070 7.711 7.451 1.00 0.00 O ATOM 1074 OD2 ASP B 75 25.668 9.798 7.003 1.00 0.00 O ATOM 0 H ASP B 75 24.722 10.110 5.042 1.00 0.00 H new ATOM 0 HA ASP B 75 22.103 10.705 5.956 1.00 0.00 H new ATOM 0 HB2 ASP B 75 22.835 9.231 7.914 1.00 0.00 H new ATOM 0 HB3 ASP B 75 22.873 8.496 6.324 1.00 0.00 H new ATOM 1079 N GLY B 76 24.170 12.734 7.032 1.00 0.00 N ATOM 1080 CA GLY B 76 24.437 13.845 7.925 1.00 0.00 C ATOM 1081 C GLY B 76 25.632 14.641 7.418 1.00 0.00 C ATOM 1082 O GLY B 76 26.774 14.344 7.775 1.00 0.00 O ATOM 0 H GLY B 76 24.690 12.773 6.156 1.00 0.00 H new ATOM 0 HA2 GLY B 76 23.560 14.490 7.990 1.00 0.00 H new ATOM 0 HA3 GLY B 76 24.636 13.475 8.931 1.00 0.00 H new ATOM 1086 N TYR B 77 25.370 15.652 6.584 1.00 0.00 N ATOM 1087 CA TYR B 77 26.406 16.511 6.040 1.00 0.00 C ATOM 1088 C TYR B 77 26.160 17.991 6.293 1.00 0.00 C ATOM 1089 O TYR B 77 25.032 18.466 6.187 1.00 0.00 O ATOM 1090 CB TYR B 77 26.647 16.182 4.568 1.00 0.00 C ATOM 1091 CG TYR B 77 27.493 17.199 3.836 1.00 0.00 C ATOM 1092 CD1 TYR B 77 28.871 17.270 4.085 1.00 0.00 C ATOM 1093 CD2 TYR B 77 26.899 18.067 2.908 1.00 0.00 C ATOM 1094 CE1 TYR B 77 29.662 18.209 3.409 1.00 0.00 C ATOM 1095 CE2 TYR B 77 27.688 19.010 2.228 1.00 0.00 C ATOM 1096 CZ TYR B 77 29.071 19.087 2.477 1.00 0.00 C ATOM 1097 OH TYR B 77 29.835 20.002 1.818 1.00 0.00 O ATOM 0 H TYR B 77 24.429 15.892 6.271 1.00 0.00 H new ATOM 0 HA TYR B 77 27.327 16.298 6.583 1.00 0.00 H new ATOM 0 HB2 TYR B 77 27.130 15.207 4.500 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.684 16.097 4.064 1.00 0.00 H new ATOM 0 HD1 TYR B 77 29.324 16.599 4.800 1.00 0.00 H new ATOM 0 HD2 TYR B 77 25.838 18.011 2.717 1.00 0.00 H new ATOM 0 HE1 TYR B 77 30.723 18.260 3.602 1.00 0.00 H new ATOM 0 HE2 TYR B 77 27.232 19.678 1.512 1.00 0.00 H new ATOM 0 HH TYR B 77 29.269 20.525 1.213 1.00 0.00 H new ATOM 1107 N ASP B 78 27.225 18.721 6.623 1.00 0.00 N ATOM 1108 CA ASP B 78 27.160 20.134 6.958 1.00 0.00 C ATOM 1109 C ASP B 78 26.705 20.998 5.781 1.00 0.00 C ATOM 1110 O ASP B 78 27.459 21.219 4.834 1.00 0.00 O ATOM 1111 CB ASP B 78 28.517 20.582 7.512 1.00 0.00 C ATOM 1112 CG ASP B 78 28.637 22.102 7.642 1.00 0.00 C ATOM 1113 OD1 ASP B 78 27.584 22.768 7.757 1.00 0.00 O ATOM 1114 OD2 ASP B 78 29.793 22.583 7.627 1.00 0.00 O ATOM 0 H ASP B 78 28.169 18.337 6.664 1.00 0.00 H new ATOM 0 HA ASP B 78 26.399 20.272 7.726 1.00 0.00 H new ATOM 0 HB2 ASP B 78 28.673 20.126 8.490 1.00 0.00 H new ATOM 0 HB3 ASP B 78 29.309 20.215 6.859 1.00 0.00 H new ATOM 1119 N TYR B 79 25.463 21.479 5.853 1.00 0.00 N ATOM 1120 CA TYR B 79 24.883 22.360 4.858 1.00 0.00 C ATOM 1121 C TYR B 79 24.662 23.763 5.416 1.00 0.00 C ATOM 1122 O TYR B 79 24.800 23.985 6.616 1.00 0.00 O ATOM 1123 CB TYR B 79 23.603 21.722 4.309 1.00 0.00 C ATOM 1124 CG TYR B 79 22.806 22.600 3.376 1.00 0.00 C ATOM 1125 CD1 TYR B 79 21.807 23.438 3.889 1.00 0.00 C ATOM 1126 CD2 TYR B 79 23.063 22.573 1.998 1.00 0.00 C ATOM 1127 CE1 TYR B 79 21.055 24.246 3.025 1.00 0.00 C ATOM 1128 CE2 TYR B 79 22.319 23.381 1.129 1.00 0.00 C ATOM 1129 CZ TYR B 79 21.311 24.225 1.640 1.00 0.00 C ATOM 1130 OH TYR B 79 20.586 25.019 0.801 1.00 0.00 O ATOM 0 H TYR B 79 24.828 21.259 6.620 1.00 0.00 H new ATOM 0 HA TYR B 79 25.578 22.485 4.028 1.00 0.00 H new ATOM 0 HB2 TYR B 79 23.868 20.805 3.784 1.00 0.00 H new ATOM 0 HB3 TYR B 79 22.968 21.437 5.148 1.00 0.00 H new ATOM 0 HD1 TYR B 79 21.616 23.461 4.952 1.00 0.00 H new ATOM 0 HD2 TYR B 79 23.836 21.928 1.606 1.00 0.00 H new ATOM 0 HE1 TYR B 79 20.279 24.885 3.421 1.00 0.00 H new ATOM 0 HE2 TYR B 79 22.517 23.358 0.068 1.00 0.00 H new ATOM 0 HH TYR B 79 20.890 24.884 -0.121 1.00 0.00 H new ATOM 1140 N ASP B 80 24.320 24.717 4.550 1.00 0.00 N ATOM 1141 CA ASP B 80 24.100 26.095 4.963 1.00 0.00 C ATOM 1142 C ASP B 80 22.988 26.216 6.008 1.00 0.00 C ATOM 1143 O ASP B 80 21.806 26.184 5.670 1.00 0.00 O ATOM 1144 CB ASP B 80 23.827 26.964 3.731 1.00 0.00 C ATOM 1145 CG ASP B 80 23.367 28.376 4.101 1.00 0.00 C ATOM 1146 OD1 ASP B 80 22.727 29.010 3.233 1.00 0.00 O ATOM 1147 OD2 ASP B 80 23.655 28.806 5.239 1.00 0.00 O ATOM 0 H ASP B 80 24.190 24.554 3.552 1.00 0.00 H new ATOM 0 HA ASP B 80 25.006 26.456 5.450 1.00 0.00 H new ATOM 0 HB2 ASP B 80 24.732 27.027 3.127 1.00 0.00 H new ATOM 0 HB3 ASP B 80 23.065 26.487 3.115 1.00 0.00 H new ATOM 1152 N GLY B 81 23.375 26.357 7.282 1.00 0.00 N ATOM 1153 CA GLY B 81 22.438 26.533 8.387 1.00 0.00 C ATOM 1154 C GLY B 81 21.733 25.231 8.784 1.00 0.00 C ATOM 1155 O GLY B 81 20.992 25.215 9.765 1.00 0.00 O ATOM 0 H GLY B 81 24.353 26.351 7.572 1.00 0.00 H new ATOM 0 HA2 GLY B 81 22.973 26.929 9.251 1.00 0.00 H new ATOM 0 HA3 GLY B 81 21.690 27.275 8.108 1.00 0.00 H new ATOM 1159 N TYR B 82 21.958 24.148 8.037 1.00 0.00 N ATOM 1160 CA TYR B 82 21.308 22.864 8.285 1.00 0.00 C ATOM 1161 C TYR B 82 22.227 21.664 8.068 1.00 0.00 C ATOM 1162 O TYR B 82 23.439 21.816 7.907 1.00 0.00 O ATOM 1163 CB TYR B 82 20.039 22.752 7.433 1.00 0.00 C ATOM 1164 CG TYR B 82 18.938 23.697 7.857 1.00 0.00 C ATOM 1165 CD1 TYR B 82 18.934 25.015 7.377 1.00 0.00 C ATOM 1166 CD2 TYR B 82 17.925 23.261 8.724 1.00 0.00 C ATOM 1167 CE1 TYR B 82 17.913 25.901 7.751 1.00 0.00 C ATOM 1168 CE2 TYR B 82 16.905 24.141 9.108 1.00 0.00 C ATOM 1169 CZ TYR B 82 16.893 25.463 8.625 1.00 0.00 C ATOM 1170 OH TYR B 82 15.902 26.317 9.001 1.00 0.00 O ATOM 0 H TYR B 82 22.597 24.139 7.242 1.00 0.00 H new ATOM 0 HA TYR B 82 21.041 22.839 9.342 1.00 0.00 H new ATOM 0 HB2 TYR B 82 20.293 22.948 6.391 1.00 0.00 H new ATOM 0 HB3 TYR B 82 19.667 21.729 7.483 1.00 0.00 H new ATOM 0 HD1 TYR B 82 19.721 25.349 6.717 1.00 0.00 H new ATOM 0 HD2 TYR B 82 17.932 22.247 9.095 1.00 0.00 H new ATOM 0 HE1 TYR B 82 17.907 26.913 7.373 1.00 0.00 H new ATOM 0 HE2 TYR B 82 16.126 23.804 9.776 1.00 0.00 H new ATOM 0 HH TYR B 82 15.282 25.854 9.603 1.00 0.00 H new ATOM 1180 N ARG B 83 21.649 20.458 8.064 1.00 0.00 N ATOM 1181 CA ARG B 83 22.375 19.218 7.855 1.00 0.00 C ATOM 1182 C ARG B 83 21.520 18.272 7.013 1.00 0.00 C ATOM 1183 O ARG B 83 20.313 18.179 7.217 1.00 0.00 O ATOM 1184 CB ARG B 83 22.725 18.610 9.215 1.00 0.00 C ATOM 1185 CG ARG B 83 23.488 17.293 9.052 1.00 0.00 C ATOM 1186 CD ARG B 83 23.863 16.725 10.422 1.00 0.00 C ATOM 1187 NE ARG B 83 22.665 16.374 11.199 1.00 0.00 N ATOM 1188 CZ ARG B 83 22.318 16.955 12.355 1.00 0.00 C ATOM 1189 NH1 ARG B 83 23.060 17.926 12.877 1.00 0.00 N ATOM 1190 NH2 ARG B 83 21.220 16.560 12.991 1.00 0.00 N ATOM 0 H ARG B 83 20.648 20.323 8.209 1.00 0.00 H new ATOM 0 HA ARG B 83 23.305 19.400 7.316 1.00 0.00 H new ATOM 0 HB2 ARG B 83 23.329 19.315 9.787 1.00 0.00 H new ATOM 0 HB3 ARG B 83 21.812 18.436 9.785 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.875 16.574 8.508 1.00 0.00 H new ATOM 0 HG3 ARG B 83 24.388 17.457 8.460 1.00 0.00 H new ATOM 0 HD2 ARG B 83 24.488 15.841 10.293 1.00 0.00 H new ATOM 0 HD3 ARG B 83 24.455 17.457 10.972 1.00 0.00 H new ATOM 0 HE ARG B 83 22.058 15.640 10.834 1.00 0.00 H new ATOM 0 HH11 ARG B 83 23.904 18.237 12.397 1.00 0.00 H new ATOM 0 HH12 ARG B 83 22.785 18.360 13.758 1.00 0.00 H new ATOM 0 HH21 ARG B 83 20.643 15.816 12.599 1.00 0.00 H new ATOM 0 HH22 ARG B 83 20.954 17.001 13.871 1.00 0.00 H new ATOM 1204 N LEU B 84 22.147 17.567 6.067 1.00 0.00 N ATOM 1205 CA LEU B 84 21.438 16.653 5.172 1.00 0.00 C ATOM 1206 C LEU B 84 20.838 15.496 5.970 1.00 0.00 C ATOM 1207 O LEU B 84 21.370 15.114 7.009 1.00 0.00 O ATOM 1208 CB LEU B 84 22.394 16.113 4.099 1.00 0.00 C ATOM 1209 CG LEU B 84 22.574 17.058 2.897 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.260 17.205 2.121 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.061 18.437 3.333 1.00 0.00 C ATOM 0 H LEU B 84 23.152 17.614 5.902 1.00 0.00 H new ATOM 0 HA LEU B 84 20.632 17.199 4.681 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.368 15.928 4.553 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.020 15.153 3.742 1.00 0.00 H new ATOM 0 HG LEU B 84 23.330 16.613 2.250 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.410 17.877 1.276 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.942 16.228 1.756 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.493 17.614 2.778 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.176 19.076 2.457 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.334 18.881 4.013 1.00 0.00 H new ATOM 0 HD23 LEU B 84 24.021 18.340 3.840 1.00 0.00 H new ATOM 1223 N ARG B 85 19.726 14.936 5.477 1.00 0.00 N ATOM 1224 CA ARG B 85 19.079 13.796 6.112 1.00 0.00 C ATOM 1225 C ARG B 85 18.724 12.732 5.081 1.00 0.00 C ATOM 1226 O ARG B 85 17.567 12.339 4.957 1.00 0.00 O ATOM 1227 CB ARG B 85 17.840 14.253 6.891 1.00 0.00 C ATOM 1228 CG ARG B 85 18.201 15.310 7.936 1.00 0.00 C ATOM 1229 CD ARG B 85 17.001 15.595 8.834 1.00 0.00 C ATOM 1230 NE ARG B 85 15.868 16.145 8.074 1.00 0.00 N ATOM 1231 CZ ARG B 85 15.677 17.451 7.855 1.00 0.00 C ATOM 1232 NH1 ARG B 85 16.565 18.347 8.281 1.00 0.00 N ATOM 1233 NH2 ARG B 85 14.592 17.865 7.206 1.00 0.00 N ATOM 0 H ARG B 85 19.257 15.263 4.632 1.00 0.00 H new ATOM 0 HA ARG B 85 19.777 13.349 6.819 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.102 14.659 6.199 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.379 13.396 7.382 1.00 0.00 H new ATOM 0 HG2 ARG B 85 19.041 14.964 8.538 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.520 16.227 7.441 1.00 0.00 H new ATOM 0 HD2 ARG B 85 16.693 14.675 9.331 1.00 0.00 H new ATOM 0 HD3 ARG B 85 17.290 16.298 9.615 1.00 0.00 H new ATOM 0 HE ARG B 85 15.186 15.491 7.690 1.00 0.00 H new ATOM 0 HH11 ARG B 85 17.400 18.040 8.779 1.00 0.00 H new ATOM 0 HH12 ARG B 85 16.410 19.340 8.109 1.00 0.00 H new ATOM 0 HH21 ARG B 85 13.906 17.187 6.875 1.00 0.00 H new ATOM 0 HH22 ARG B 85 14.446 18.861 7.039 1.00 0.00 H new ATOM 1247 N VAL B 86 19.727 12.267 4.330 1.00 0.00 N ATOM 1248 CA VAL B 86 19.530 11.184 3.376 1.00 0.00 C ATOM 1249 C VAL B 86 19.589 9.842 4.094 1.00 0.00 C ATOM 1250 O VAL B 86 20.668 9.287 4.286 1.00 0.00 O ATOM 1251 CB VAL B 86 20.571 11.268 2.254 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.243 10.242 1.172 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.572 12.668 1.636 1.00 0.00 C ATOM 0 H VAL B 86 20.681 12.627 4.368 1.00 0.00 H new ATOM 0 HA VAL B 86 18.544 11.280 2.920 1.00 0.00 H new ATOM 0 HB VAL B 86 21.556 11.061 2.673 1.00 0.00 H new ATOM 0 HG11 VAL B 86 20.984 10.304 0.375 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.256 9.241 1.604 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.254 10.448 0.763 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.316 12.714 0.841 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.586 12.885 1.224 1.00 0.00 H new ATOM 0 HG23 VAL B 86 20.815 13.404 2.403 1.00 0.00 H new ATOM 1263 N GLU B 87 18.425 9.325 4.492 1.00 0.00 N ATOM 1264 CA GLU B 87 18.334 8.058 5.204 1.00 0.00 C ATOM 1265 C GLU B 87 16.988 7.393 4.927 1.00 0.00 C ATOM 1266 O GLU B 87 16.057 8.049 4.468 1.00 0.00 O ATOM 1267 CB GLU B 87 18.528 8.291 6.707 1.00 0.00 C ATOM 1268 CG GLU B 87 17.420 9.183 7.277 1.00 0.00 C ATOM 1269 CD GLU B 87 17.603 9.411 8.779 1.00 0.00 C ATOM 1270 OE1 GLU B 87 18.554 8.830 9.350 1.00 0.00 O ATOM 1271 OE2 GLU B 87 16.783 10.171 9.341 1.00 0.00 O ATOM 0 H GLU B 87 17.524 9.774 4.328 1.00 0.00 H new ATOM 0 HA GLU B 87 19.121 7.391 4.852 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.532 7.334 7.228 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.499 8.755 6.884 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.421 10.142 6.759 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.449 8.722 7.093 1.00 0.00 H new ATOM 1278 N PHE B 88 16.880 6.092 5.204 1.00 0.00 N ATOM 1279 CA PHE B 88 15.631 5.370 5.032 1.00 0.00 C ATOM 1280 C PHE B 88 14.610 5.601 6.150 1.00 0.00 C ATOM 1281 O PHE B 88 14.993 5.982 7.259 1.00 0.00 O ATOM 1282 CB PHE B 88 15.891 3.888 4.768 1.00 0.00 C ATOM 1283 CG PHE B 88 17.058 3.327 5.544 1.00 0.00 C ATOM 1284 CD1 PHE B 88 18.313 3.211 4.930 1.00 0.00 C ATOM 1285 CD2 PHE B 88 16.887 2.924 6.876 1.00 0.00 C ATOM 1286 CE1 PHE B 88 19.399 2.694 5.652 1.00 0.00 C ATOM 1287 CE2 PHE B 88 17.975 2.407 7.598 1.00 0.00 C ATOM 1288 CZ PHE B 88 19.229 2.289 6.985 1.00 0.00 C ATOM 0 H PHE B 88 17.650 5.520 5.550 1.00 0.00 H new ATOM 0 HA PHE B 88 15.155 5.792 4.147 1.00 0.00 H new ATOM 0 HB2 PHE B 88 14.994 3.321 5.018 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.072 3.745 3.703 1.00 0.00 H new ATOM 0 HD1 PHE B 88 18.443 3.519 3.903 1.00 0.00 H new ATOM 0 HD2 PHE B 88 15.919 3.011 7.347 1.00 0.00 H new ATOM 0 HE1 PHE B 88 20.367 2.608 5.181 1.00 0.00 H new ATOM 0 HE2 PHE B 88 17.845 2.101 8.625 1.00 0.00 H new ATOM 0 HZ PHE B 88 20.065 1.886 7.538 1.00 0.00 H new ATOM 1298 N PRO B 89 13.317 5.373 5.871 1.00 0.00 N ATOM 1299 CA PRO B 89 12.244 5.497 6.843 1.00 0.00 C ATOM 1300 C PRO B 89 12.499 4.632 8.079 1.00 0.00 C ATOM 1301 O PRO B 89 12.936 3.473 7.894 1.00 0.00 O ATOM 1302 CB PRO B 89 10.969 5.065 6.116 1.00 0.00 C ATOM 1303 CG PRO B 89 11.298 5.246 4.637 1.00 0.00 C ATOM 1304 CD PRO B 89 12.802 5.003 4.566 1.00 0.00 C ATOM 0 HA PRO B 89 12.165 6.520 7.212 1.00 0.00 H new ATOM 0 HB2 PRO B 89 10.713 4.030 6.343 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.116 5.676 6.411 1.00 0.00 H new ATOM 0 HG2 PRO B 89 10.749 4.539 4.016 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.037 6.245 4.289 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.021 3.959 4.339 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.260 5.603 3.779 1.00 0.00 H new