USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=11 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 180:sc= -0.119 USER MOD Single : B 19 TYR OH : rot 110:sc= -0.0681 USER MOD Single : B 22 ASN : amide:sc= -1.58 K(o=-1.6,f=-3.6!) USER MOD Single : B 30 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.22) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 169:sc=-0.00942 (180deg=-0.16) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -144:sc= 0.01 (180deg=-0.1) USER MOD Single : B 49 ASN : amide:sc= 0.0368 K(o=0.037,f=-3.8!) USER MOD Single : B 72 SER OG : rot -25:sc= 0.649 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 11.871 -0.685 0.082 1.00 0.00 N ATOM 139 CA CYS B 16 13.222 -0.344 -0.352 1.00 0.00 C ATOM 140 C CYS B 16 13.407 1.172 -0.465 1.00 0.00 C ATOM 141 O CYS B 16 14.492 1.643 -0.801 1.00 0.00 O ATOM 142 CB CYS B 16 13.505 -1.022 -1.696 1.00 0.00 C ATOM 143 SG CYS B 16 13.439 -2.820 -1.482 1.00 0.00 S ATOM 0 HA CYS B 16 13.930 -0.702 0.395 1.00 0.00 H new ATOM 0 HB2 CYS B 16 12.772 -0.705 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS B 16 14.485 -0.724 -2.068 1.00 0.00 H new ATOM 0 HG CYS B 16 13.676 -3.401 -2.620 1.00 0.00 H new ATOM 149 N ARG B 17 12.345 1.934 -0.185 1.00 0.00 N ATOM 150 CA ARG B 17 12.344 3.386 -0.264 1.00 0.00 C ATOM 151 C ARG B 17 13.082 3.989 0.936 1.00 0.00 C ATOM 152 O ARG B 17 13.067 3.419 2.023 1.00 0.00 O ATOM 153 CB ARG B 17 10.887 3.846 -0.319 1.00 0.00 C ATOM 154 CG ARG B 17 10.779 5.320 -0.694 1.00 0.00 C ATOM 155 CD ARG B 17 9.306 5.729 -0.754 1.00 0.00 C ATOM 156 NE ARG B 17 8.568 4.929 -1.741 1.00 0.00 N ATOM 157 CZ ARG B 17 7.383 4.351 -1.511 1.00 0.00 C ATOM 158 NH1 ARG B 17 6.769 4.490 -0.338 1.00 0.00 N ATOM 159 NH2 ARG B 17 6.813 3.626 -2.468 1.00 0.00 N ATOM 0 H ARG B 17 11.449 1.545 0.108 1.00 0.00 H new ATOM 0 HA ARG B 17 12.869 3.725 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG B 17 10.342 3.244 -1.046 1.00 0.00 H new ATOM 0 HB3 ARG B 17 10.416 3.681 0.650 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.307 5.931 0.038 1.00 0.00 H new ATOM 0 HG3 ARG B 17 11.255 5.496 -1.659 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.852 5.606 0.229 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.230 6.786 -1.010 1.00 0.00 H new ATOM 0 HE ARG B 17 8.987 4.806 -2.663 1.00 0.00 H new ATOM 0 HH11 ARG B 17 7.201 5.044 0.402 1.00 0.00 H new ATOM 0 HH12 ARG B 17 5.866 4.043 -0.179 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.279 3.514 -3.369 1.00 0.00 H new ATOM 0 HH22 ARG B 17 5.910 3.182 -2.302 1.00 0.00 H new ATOM 173 N ILE B 18 13.722 5.146 0.732 1.00 0.00 N ATOM 174 CA ILE B 18 14.434 5.856 1.791 1.00 0.00 C ATOM 175 C ILE B 18 13.997 7.317 1.822 1.00 0.00 C ATOM 176 O ILE B 18 13.209 7.758 0.984 1.00 0.00 O ATOM 177 CB ILE B 18 15.954 5.743 1.595 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.439 6.655 0.462 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.344 4.288 1.336 1.00 0.00 C ATOM 180 CD1 ILE B 18 17.968 6.652 0.374 1.00 0.00 C ATOM 0 H ILE B 18 13.759 5.613 -0.174 1.00 0.00 H new ATOM 0 HA ILE B 18 14.187 5.398 2.749 1.00 0.00 H new ATOM 0 HB ILE B 18 16.444 6.075 2.510 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.016 6.321 -0.485 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.082 7.671 0.630 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.423 4.220 1.199 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.047 3.675 2.187 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.840 3.931 0.438 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.287 7.306 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.387 7.009 1.315 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.319 5.638 0.182 1.00 0.00 H new ATOM 192 N TYR B 19 14.519 8.061 2.800 1.00 0.00 N ATOM 193 CA TYR B 19 14.115 9.432 3.075 1.00 0.00 C ATOM 194 C TYR B 19 15.210 10.470 2.858 1.00 0.00 C ATOM 195 O TYR B 19 16.396 10.164 2.959 1.00 0.00 O ATOM 196 CB TYR B 19 13.434 9.520 4.447 1.00 0.00 C ATOM 197 CG TYR B 19 13.488 10.873 5.125 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.388 11.744 5.062 1.00 0.00 C ATOM 199 CD2 TYR B 19 14.634 11.244 5.847 1.00 0.00 C ATOM 200 CE1 TYR B 19 12.420 12.970 5.748 1.00 0.00 C ATOM 201 CE2 TYR B 19 14.673 12.468 6.527 1.00 0.00 C ATOM 202 CZ TYR B 19 13.561 13.332 6.485 1.00 0.00 C ATOM 203 OH TYR B 19 13.591 14.511 7.161 1.00 0.00 O ATOM 0 H TYR B 19 15.245 7.718 3.430 1.00 0.00 H new ATOM 0 HA TYR B 19 13.376 9.705 2.321 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.388 9.234 4.331 1.00 0.00 H new ATOM 0 HB3 TYR B 19 13.894 8.785 5.108 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.516 11.471 4.486 1.00 0.00 H new ATOM 0 HD2 TYR B 19 15.488 10.584 5.878 1.00 0.00 H new ATOM 0 HE1 TYR B 19 11.569 13.634 5.709 1.00 0.00 H new ATOM 0 HE2 TYR B 19 15.555 12.749 7.083 1.00 0.00 H new ATOM 0 HH TYR B 19 13.562 14.336 8.125 1.00 0.00 H new ATOM 213 N VAL B 20 14.799 11.705 2.556 1.00 0.00 N ATOM 214 CA VAL B 20 15.715 12.805 2.312 1.00 0.00 C ATOM 215 C VAL B 20 15.166 14.051 2.998 1.00 0.00 C ATOM 216 O VAL B 20 14.269 14.712 2.476 1.00 0.00 O ATOM 217 CB VAL B 20 15.863 13.024 0.801 1.00 0.00 C ATOM 218 CG1 VAL B 20 16.714 14.264 0.524 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.515 11.807 0.145 1.00 0.00 C ATOM 0 H VAL B 20 13.816 11.963 2.475 1.00 0.00 H new ATOM 0 HA VAL B 20 16.702 12.582 2.717 1.00 0.00 H new ATOM 0 HB VAL B 20 14.868 13.168 0.380 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.810 14.406 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.236 15.139 0.965 1.00 0.00 H new ATOM 0 HG13 VAL B 20 17.703 14.132 0.962 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.612 11.980 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.502 11.646 0.578 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.896 10.926 0.316 1.00 0.00 H new ATOM 229 N GLY B 21 15.712 14.370 4.171 1.00 0.00 N ATOM 230 CA GLY B 21 15.354 15.575 4.892 1.00 0.00 C ATOM 231 C GLY B 21 16.134 16.762 4.351 1.00 0.00 C ATOM 232 O GLY B 21 17.173 16.582 3.712 1.00 0.00 O ATOM 0 H GLY B 21 16.413 13.797 4.641 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.284 15.760 4.797 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.562 15.447 5.954 1.00 0.00 H new ATOM 236 N ASN B 22 15.634 17.974 4.612 1.00 0.00 N ATOM 237 CA ASN B 22 16.226 19.205 4.108 1.00 0.00 C ATOM 238 C ASN B 22 16.230 19.203 2.572 1.00 0.00 C ATOM 239 O ASN B 22 15.641 18.321 1.942 1.00 0.00 O ATOM 240 CB ASN B 22 17.638 19.342 4.689 1.00 0.00 C ATOM 241 CG ASN B 22 18.134 20.780 4.663 1.00 0.00 C ATOM 242 OD1 ASN B 22 17.354 21.715 4.517 1.00 0.00 O ATOM 243 ND2 ASN B 22 19.441 20.959 4.806 1.00 0.00 N ATOM 0 H ASN B 22 14.802 18.123 5.183 1.00 0.00 H new ATOM 0 HA ASN B 22 15.637 20.067 4.421 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.643 18.976 5.716 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.325 18.713 4.123 1.00 0.00 H new ATOM 0 HD21 ASN B 22 19.831 21.902 4.797 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.056 20.154 4.925 1.00 0.00 H new ATOM 250 N LEU B 23 16.898 20.188 1.970 1.00 0.00 N ATOM 251 CA LEU B 23 16.975 20.308 0.522 1.00 0.00 C ATOM 252 C LEU B 23 18.356 20.847 0.131 1.00 0.00 C ATOM 253 O LEU B 23 18.818 21.823 0.721 1.00 0.00 O ATOM 254 CB LEU B 23 15.843 21.231 0.050 1.00 0.00 C ATOM 255 CG LEU B 23 15.594 21.147 -1.457 1.00 0.00 C ATOM 256 CD1 LEU B 23 14.918 19.822 -1.812 1.00 0.00 C ATOM 257 CD2 LEU B 23 14.663 22.286 -1.869 1.00 0.00 C ATOM 0 H LEU B 23 17.398 20.920 2.474 1.00 0.00 H new ATOM 0 HA LEU B 23 16.852 19.338 0.040 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.926 20.972 0.579 1.00 0.00 H new ATOM 0 HB3 LEU B 23 16.085 22.260 0.316 1.00 0.00 H new ATOM 0 HG LEU B 23 16.550 21.218 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU B 23 14.747 19.777 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU B 23 15.560 18.994 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU B 23 13.964 19.749 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU B 23 14.479 22.235 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU B 23 13.718 22.195 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU B 23 15.127 23.242 -1.625 1.00 0.00 H new ATOM 366 N LYS B 30 15.702 17.762 -12.247 1.00 0.00 N ATOM 367 CA LYS B 30 16.272 16.538 -12.797 1.00 0.00 C ATOM 368 C LYS B 30 17.593 16.185 -12.114 1.00 0.00 C ATOM 369 O LYS B 30 18.001 15.024 -12.122 1.00 0.00 O ATOM 370 CB LYS B 30 16.459 16.719 -14.310 1.00 0.00 C ATOM 371 CG LYS B 30 17.012 15.457 -14.985 1.00 0.00 C ATOM 372 CD LYS B 30 16.045 14.283 -14.822 1.00 0.00 C ATOM 373 CE LYS B 30 16.617 13.049 -15.521 1.00 0.00 C ATOM 374 NZ LYS B 30 15.680 11.915 -15.435 1.00 0.00 N ATOM 0 HA LYS B 30 15.591 15.707 -12.612 1.00 0.00 H new ATOM 0 HB2 LYS B 30 15.503 16.981 -14.763 1.00 0.00 H new ATOM 0 HB3 LYS B 30 17.137 17.553 -14.493 1.00 0.00 H new ATOM 0 HG2 LYS B 30 17.180 15.650 -16.044 1.00 0.00 H new ATOM 0 HG3 LYS B 30 17.978 15.201 -14.550 1.00 0.00 H new ATOM 0 HD2 LYS B 30 15.886 14.074 -13.764 1.00 0.00 H new ATOM 0 HD3 LYS B 30 15.074 14.537 -15.246 1.00 0.00 H new ATOM 0 HE2 LYS B 30 16.820 13.280 -16.567 1.00 0.00 H new ATOM 0 HE3 LYS B 30 17.568 12.776 -15.064 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 16.104 11.079 -15.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 15.480 11.705 -14.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 14.794 12.159 -15.922 1.00 0.00 H new ATOM 388 N ASP B 31 18.260 17.173 -11.514 1.00 0.00 N ATOM 389 CA ASP B 31 19.514 16.933 -10.813 1.00 0.00 C ATOM 390 C ASP B 31 19.299 16.096 -9.555 1.00 0.00 C ATOM 391 O ASP B 31 20.240 15.492 -9.041 1.00 0.00 O ATOM 392 CB ASP B 31 20.186 18.266 -10.474 1.00 0.00 C ATOM 393 CG ASP B 31 20.624 19.028 -11.727 1.00 0.00 C ATOM 394 OD1 ASP B 31 21.089 20.176 -11.561 1.00 0.00 O ATOM 395 OD2 ASP B 31 20.491 18.464 -12.837 1.00 0.00 O ATOM 0 H ASP B 31 17.950 18.145 -11.502 1.00 0.00 H new ATOM 0 HA ASP B 31 20.171 16.365 -11.472 1.00 0.00 H new ATOM 0 HB2 ASP B 31 19.496 18.883 -9.898 1.00 0.00 H new ATOM 0 HB3 ASP B 31 21.054 18.083 -9.840 1.00 0.00 H new ATOM 400 N ILE B 32 18.062 16.057 -9.059 1.00 0.00 N ATOM 401 CA ILE B 32 17.706 15.248 -7.898 1.00 0.00 C ATOM 402 C ILE B 32 17.672 13.764 -8.282 1.00 0.00 C ATOM 403 O ILE B 32 17.658 12.899 -7.411 1.00 0.00 O ATOM 404 CB ILE B 32 16.356 15.732 -7.345 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.951 15.004 -6.059 1.00 0.00 C ATOM 406 CG2 ILE B 32 15.247 15.518 -8.380 1.00 0.00 C ATOM 407 CD1 ILE B 32 17.012 15.174 -4.967 1.00 0.00 C ATOM 0 H ILE B 32 17.282 16.585 -9.451 1.00 0.00 H new ATOM 0 HA ILE B 32 18.455 15.361 -7.115 1.00 0.00 H new ATOM 0 HB ILE B 32 16.481 16.791 -7.122 1.00 0.00 H new ATOM 0 HG12 ILE B 32 14.996 15.391 -5.705 1.00 0.00 H new ATOM 0 HG13 ILE B 32 15.808 13.944 -6.268 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.297 15.866 -7.973 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.481 16.078 -9.285 1.00 0.00 H new ATOM 0 HG23 ILE B 32 15.172 14.457 -8.619 1.00 0.00 H new ATOM 0 HD11 ILE B 32 16.696 14.646 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE B 32 17.960 14.764 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE B 32 17.136 16.233 -4.742 1.00 0.00 H new ATOM 419 N GLU B 33 17.664 13.466 -9.585 1.00 0.00 N ATOM 420 CA GLU B 33 17.706 12.097 -10.076 1.00 0.00 C ATOM 421 C GLU B 33 19.109 11.773 -10.588 1.00 0.00 C ATOM 422 O GLU B 33 19.481 10.608 -10.676 1.00 0.00 O ATOM 423 CB GLU B 33 16.690 11.919 -11.207 1.00 0.00 C ATOM 424 CG GLU B 33 15.279 12.301 -10.749 1.00 0.00 C ATOM 425 CD GLU B 33 14.229 11.955 -11.803 1.00 0.00 C ATOM 426 OE1 GLU B 33 14.631 11.539 -12.913 1.00 0.00 O ATOM 427 OE2 GLU B 33 13.029 12.112 -11.487 1.00 0.00 O ATOM 0 H GLU B 33 17.628 14.170 -10.323 1.00 0.00 H new ATOM 0 HA GLU B 33 17.456 11.418 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.978 12.535 -12.059 1.00 0.00 H new ATOM 0 HB3 GLU B 33 16.697 10.883 -11.546 1.00 0.00 H new ATOM 0 HG2 GLU B 33 15.046 11.782 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU B 33 15.242 13.369 -10.536 1.00 0.00 H new ATOM 434 N ASP B 34 19.888 12.808 -10.921 1.00 0.00 N ATOM 435 CA ASP B 34 21.220 12.634 -11.480 1.00 0.00 C ATOM 436 C ASP B 34 22.206 12.116 -10.433 1.00 0.00 C ATOM 437 O ASP B 34 22.900 11.128 -10.662 1.00 0.00 O ATOM 438 CB ASP B 34 21.690 13.957 -12.091 1.00 0.00 C ATOM 439 CG ASP B 34 23.148 13.920 -12.557 1.00 0.00 C ATOM 440 OD1 ASP B 34 23.630 12.813 -12.875 1.00 0.00 O ATOM 441 OD2 ASP B 34 23.764 15.009 -12.588 1.00 0.00 O ATOM 0 H ASP B 34 19.609 13.783 -10.809 1.00 0.00 H new ATOM 0 HA ASP B 34 21.177 11.879 -12.265 1.00 0.00 H new ATOM 0 HB2 ASP B 34 21.051 14.206 -12.938 1.00 0.00 H new ATOM 0 HB3 ASP B 34 21.570 14.753 -11.356 1.00 0.00 H new ATOM 446 N VAL B 35 22.267 12.785 -9.276 1.00 0.00 N ATOM 447 CA VAL B 35 23.190 12.386 -8.218 1.00 0.00 C ATOM 448 C VAL B 35 22.787 11.042 -7.622 1.00 0.00 C ATOM 449 O VAL B 35 23.643 10.255 -7.220 1.00 0.00 O ATOM 450 CB VAL B 35 23.291 13.483 -7.147 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.547 14.839 -7.804 1.00 0.00 C ATOM 452 CG2 VAL B 35 22.011 13.565 -6.311 1.00 0.00 C ATOM 0 H VAL B 35 21.692 13.598 -9.053 1.00 0.00 H new ATOM 0 HA VAL B 35 24.182 12.260 -8.652 1.00 0.00 H new ATOM 0 HB VAL B 35 24.122 13.226 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.617 15.608 -7.035 1.00 0.00 H new ATOM 0 HG12 VAL B 35 24.481 14.801 -8.365 1.00 0.00 H new ATOM 0 HG13 VAL B 35 22.726 15.076 -8.481 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.115 14.351 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL B 35 21.166 13.792 -6.961 1.00 0.00 H new ATOM 0 HG23 VAL B 35 21.840 12.610 -5.814 1.00 0.00 H new ATOM 462 N PHE B 36 21.480 10.766 -7.563 1.00 0.00 N ATOM 463 CA PHE B 36 21.005 9.479 -7.091 1.00 0.00 C ATOM 464 C PHE B 36 21.205 8.353 -8.097 1.00 0.00 C ATOM 465 O PHE B 36 21.484 7.217 -7.710 1.00 0.00 O ATOM 466 CB PHE B 36 19.572 9.584 -6.570 1.00 0.00 C ATOM 467 CG PHE B 36 19.496 10.109 -5.154 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.305 11.478 -4.922 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.624 9.227 -4.071 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.233 11.962 -3.607 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.555 9.712 -2.759 1.00 0.00 C ATOM 472 CZ PHE B 36 19.360 11.080 -2.528 1.00 0.00 C ATOM 0 H PHE B 36 20.744 11.417 -7.836 1.00 0.00 H new ATOM 0 HA PHE B 36 21.632 9.195 -6.246 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.000 10.240 -7.226 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.102 8.601 -6.613 1.00 0.00 H new ATOM 0 HD1 PHE B 36 19.213 12.160 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.776 8.173 -4.249 1.00 0.00 H new ATOM 0 HE1 PHE B 36 19.079 13.016 -3.427 1.00 0.00 H new ATOM 0 HE2 PHE B 36 19.652 9.032 -1.926 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.308 11.454 -1.516 1.00 0.00 H new ATOM 482 N SER B 37 21.071 8.659 -9.390 1.00 0.00 N ATOM 483 CA SER B 37 21.335 7.677 -10.436 1.00 0.00 C ATOM 484 C SER B 37 22.822 7.309 -10.467 1.00 0.00 C ATOM 485 O SER B 37 23.188 6.219 -10.905 1.00 0.00 O ATOM 486 CB SER B 37 20.894 8.245 -11.785 1.00 0.00 C ATOM 487 OG SER B 37 21.208 7.340 -12.823 1.00 0.00 O ATOM 0 H SER B 37 20.783 9.575 -9.733 1.00 0.00 H new ATOM 0 HA SER B 37 20.770 6.769 -10.226 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.821 8.438 -11.773 1.00 0.00 H new ATOM 0 HB3 SER B 37 21.387 9.200 -11.964 1.00 0.00 H new ATOM 0 HG SER B 37 20.919 7.714 -13.682 1.00 0.00 H new ATOM 493 N LYS B 38 23.686 8.218 -9.999 1.00 0.00 N ATOM 494 CA LYS B 38 25.117 7.958 -9.931 1.00 0.00 C ATOM 495 C LYS B 38 25.437 7.068 -8.731 1.00 0.00 C ATOM 496 O LYS B 38 26.363 6.260 -8.790 1.00 0.00 O ATOM 497 CB LYS B 38 25.863 9.298 -9.845 1.00 0.00 C ATOM 498 CG LYS B 38 27.373 9.113 -9.687 1.00 0.00 C ATOM 499 CD LYS B 38 27.960 8.362 -10.888 1.00 0.00 C ATOM 500 CE LYS B 38 29.483 8.277 -10.773 1.00 0.00 C ATOM 501 NZ LYS B 38 29.895 7.518 -9.576 1.00 0.00 N ATOM 0 H LYS B 38 23.411 9.141 -9.662 1.00 0.00 H new ATOM 0 HA LYS B 38 25.442 7.430 -10.827 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.663 9.881 -10.744 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.479 9.871 -9.001 1.00 0.00 H new ATOM 0 HG2 LYS B 38 27.855 10.086 -9.590 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.582 8.561 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS B 38 27.537 7.359 -10.940 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.687 8.871 -11.812 1.00 0.00 H new ATOM 0 HE2 LYS B 38 29.890 7.800 -11.665 1.00 0.00 H new ATOM 0 HE3 LYS B 38 29.902 9.282 -10.729 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 30.915 7.319 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 29.692 8.077 -8.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 29.369 6.622 -9.535 1.00 0.00 H new ATOM 515 N TYR B 39 24.679 7.212 -7.640 1.00 0.00 N ATOM 516 CA TYR B 39 24.877 6.406 -6.442 1.00 0.00 C ATOM 517 C TYR B 39 24.179 5.045 -6.415 1.00 0.00 C ATOM 518 O TYR B 39 24.440 4.246 -5.519 1.00 0.00 O ATOM 519 CB TYR B 39 24.610 7.219 -5.174 1.00 0.00 C ATOM 520 CG TYR B 39 25.811 8.013 -4.704 1.00 0.00 C ATOM 521 CD1 TYR B 39 26.204 9.174 -5.381 1.00 0.00 C ATOM 522 CD2 TYR B 39 26.528 7.571 -3.584 1.00 0.00 C ATOM 523 CE1 TYR B 39 27.321 9.900 -4.940 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.648 8.288 -3.139 1.00 0.00 C ATOM 525 CZ TYR B 39 28.051 9.456 -3.817 1.00 0.00 C ATOM 526 OH TYR B 39 29.137 10.154 -3.383 1.00 0.00 O ATOM 0 H TYR B 39 23.917 7.887 -7.567 1.00 0.00 H new ATOM 0 HA TYR B 39 25.933 6.138 -6.476 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.781 7.903 -5.358 1.00 0.00 H new ATOM 0 HB3 TYR B 39 24.296 6.544 -4.378 1.00 0.00 H new ATOM 0 HD1 TYR B 39 25.647 9.511 -6.243 1.00 0.00 H new ATOM 0 HD2 TYR B 39 26.218 6.677 -3.063 1.00 0.00 H new ATOM 0 HE1 TYR B 39 27.622 10.798 -5.460 1.00 0.00 H new ATOM 0 HE2 TYR B 39 28.201 7.945 -2.277 1.00 0.00 H new ATOM 0 HH TYR B 39 29.520 9.709 -2.599 1.00 0.00 H new ATOM 536 N GLY B 40 23.297 4.764 -7.382 1.00 0.00 N ATOM 537 CA GLY B 40 22.646 3.462 -7.436 1.00 0.00 C ATOM 538 C GLY B 40 21.580 3.381 -8.523 1.00 0.00 C ATOM 539 O GLY B 40 21.317 4.354 -9.227 1.00 0.00 O ATOM 0 H GLY B 40 23.025 5.411 -8.122 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.397 2.692 -7.612 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.190 3.248 -6.469 1.00 0.00 H new ATOM 543 N ALA B 41 20.964 2.202 -8.647 1.00 0.00 N ATOM 544 CA ALA B 41 19.910 1.933 -9.616 1.00 0.00 C ATOM 545 C ALA B 41 18.564 2.485 -9.131 1.00 0.00 C ATOM 546 O ALA B 41 17.538 1.815 -9.245 1.00 0.00 O ATOM 547 CB ALA B 41 19.835 0.423 -9.868 1.00 0.00 C ATOM 0 H ALA B 41 21.191 1.396 -8.064 1.00 0.00 H new ATOM 0 HA ALA B 41 20.143 2.438 -10.553 1.00 0.00 H new ATOM 0 HB1 ALA B 41 19.048 0.214 -10.593 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.790 0.071 -10.258 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.613 -0.091 -8.933 1.00 0.00 H new ATOM 553 N ILE B 42 18.563 3.703 -8.585 1.00 0.00 N ATOM 554 CA ILE B 42 17.348 4.348 -8.100 1.00 0.00 C ATOM 555 C ILE B 42 16.306 4.414 -9.218 1.00 0.00 C ATOM 556 O ILE B 42 16.637 4.711 -10.367 1.00 0.00 O ATOM 557 CB ILE B 42 17.684 5.752 -7.576 1.00 0.00 C ATOM 558 CG1 ILE B 42 18.303 5.689 -6.173 1.00 0.00 C ATOM 559 CG2 ILE B 42 16.424 6.623 -7.498 1.00 0.00 C ATOM 560 CD1 ILE B 42 19.647 4.963 -6.186 1.00 0.00 C ATOM 0 H ILE B 42 19.405 4.267 -8.468 1.00 0.00 H new ATOM 0 HA ILE B 42 16.928 3.764 -7.281 1.00 0.00 H new ATOM 0 HB ILE B 42 18.398 6.186 -8.275 1.00 0.00 H new ATOM 0 HG12 ILE B 42 18.438 6.700 -5.788 1.00 0.00 H new ATOM 0 HG13 ILE B 42 17.619 5.178 -5.495 1.00 0.00 H new ATOM 0 HG21 ILE B 42 16.688 7.612 -7.124 1.00 0.00 H new ATOM 0 HG22 ILE B 42 15.984 6.716 -8.491 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.703 6.161 -6.823 1.00 0.00 H new ATOM 0 HD11 ILE B 42 20.056 4.937 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE B 42 19.507 3.944 -6.547 1.00 0.00 H new ATOM 0 HD13 ILE B 42 20.338 5.489 -6.844 1.00 0.00 H new ATOM 572 N ARG B 43 15.046 4.138 -8.876 1.00 0.00 N ATOM 573 CA ARG B 43 13.954 4.163 -9.839 1.00 0.00 C ATOM 574 C ARG B 43 13.244 5.513 -9.832 1.00 0.00 C ATOM 575 O ARG B 43 13.118 6.147 -10.878 1.00 0.00 O ATOM 576 CB ARG B 43 12.957 3.047 -9.521 1.00 0.00 C ATOM 577 CG ARG B 43 13.591 1.658 -9.657 1.00 0.00 C ATOM 578 CD ARG B 43 14.074 1.396 -11.086 1.00 0.00 C ATOM 579 NE ARG B 43 12.987 1.565 -12.059 1.00 0.00 N ATOM 580 CZ ARG B 43 12.035 0.657 -12.295 1.00 0.00 C ATOM 581 NH1 ARG B 43 12.015 -0.500 -11.635 1.00 0.00 N ATOM 582 NH2 ARG B 43 11.093 0.909 -13.198 1.00 0.00 N ATOM 0 H ARG B 43 14.759 3.893 -7.928 1.00 0.00 H new ATOM 0 HA ARG B 43 14.372 4.005 -10.833 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.579 3.176 -8.507 1.00 0.00 H new ATOM 0 HB3 ARG B 43 12.101 3.123 -10.192 1.00 0.00 H new ATOM 0 HG2 ARG B 43 14.430 1.572 -8.967 1.00 0.00 H new ATOM 0 HG3 ARG B 43 12.865 0.897 -9.372 1.00 0.00 H new ATOM 0 HD2 ARG B 43 14.889 2.078 -11.327 1.00 0.00 H new ATOM 0 HD3 ARG B 43 14.474 0.384 -11.157 1.00 0.00 H new ATOM 0 HE ARG B 43 12.956 2.435 -12.591 1.00 0.00 H new ATOM 0 HH11 ARG B 43 12.732 -0.703 -10.939 1.00 0.00 H new ATOM 0 HH12 ARG B 43 11.282 -1.183 -11.826 1.00 0.00 H new ATOM 0 HH21 ARG B 43 11.098 1.792 -13.708 1.00 0.00 H new ATOM 0 HH22 ARG B 43 10.365 0.219 -13.381 1.00 0.00 H new ATOM 596 N ASP B 44 12.783 5.946 -8.653 1.00 0.00 N ATOM 597 CA ASP B 44 11.910 7.109 -8.534 1.00 0.00 C ATOM 598 C ASP B 44 12.317 8.091 -7.435 1.00 0.00 C ATOM 599 O ASP B 44 12.897 7.699 -6.426 1.00 0.00 O ATOM 600 CB ASP B 44 10.462 6.660 -8.311 1.00 0.00 C ATOM 601 CG ASP B 44 9.794 6.074 -9.555 1.00 0.00 C ATOM 602 OD1 ASP B 44 10.371 6.198 -10.654 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.692 5.501 -9.382 1.00 0.00 O ATOM 0 H ASP B 44 13.005 5.500 -7.763 1.00 0.00 H new ATOM 0 HA ASP B 44 12.007 7.648 -9.476 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.442 5.915 -7.515 1.00 0.00 H new ATOM 0 HB3 ASP B 44 9.877 7.512 -7.965 1.00 0.00 H new ATOM 608 N ILE B 45 11.993 9.369 -7.653 1.00 0.00 N ATOM 609 CA ILE B 45 12.157 10.442 -6.680 1.00 0.00 C ATOM 610 C ILE B 45 10.767 10.925 -6.260 1.00 0.00 C ATOM 611 O ILE B 45 9.823 10.842 -7.043 1.00 0.00 O ATOM 612 CB ILE B 45 12.995 11.577 -7.299 1.00 0.00 C ATOM 613 CG1 ILE B 45 14.483 11.425 -6.965 1.00 0.00 C ATOM 614 CG2 ILE B 45 12.557 12.955 -6.784 1.00 0.00 C ATOM 615 CD1 ILE B 45 15.058 10.088 -7.428 1.00 0.00 C ATOM 0 H ILE B 45 11.599 9.690 -8.537 1.00 0.00 H new ATOM 0 HA ILE B 45 12.688 10.090 -5.795 1.00 0.00 H new ATOM 0 HB ILE B 45 12.835 11.507 -8.375 1.00 0.00 H new ATOM 0 HG12 ILE B 45 15.041 12.237 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE B 45 14.621 11.522 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE B 45 13.172 13.728 -7.244 1.00 0.00 H new ATOM 0 HG22 ILE B 45 11.511 13.124 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.676 12.993 -5.701 1.00 0.00 H new ATOM 0 HD11 ILE B 45 16.115 10.036 -7.165 1.00 0.00 H new ATOM 0 HD12 ILE B 45 14.522 9.273 -6.941 1.00 0.00 H new ATOM 0 HD13 ILE B 45 14.948 9.999 -8.509 1.00 0.00 H new ATOM 627 N ASP B 46 10.637 11.430 -5.030 1.00 0.00 N ATOM 628 CA ASP B 46 9.368 11.938 -4.539 1.00 0.00 C ATOM 629 C ASP B 46 9.572 13.159 -3.643 1.00 0.00 C ATOM 630 O ASP B 46 9.348 13.096 -2.436 1.00 0.00 O ATOM 631 CB ASP B 46 8.631 10.813 -3.812 1.00 0.00 C ATOM 632 CG ASP B 46 7.277 11.264 -3.260 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.781 12.317 -3.714 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.753 10.540 -2.385 1.00 0.00 O ATOM 0 H ASP B 46 11.403 11.495 -4.359 1.00 0.00 H new ATOM 0 HA ASP B 46 8.758 12.271 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.481 9.978 -4.497 1.00 0.00 H new ATOM 0 HB3 ASP B 46 9.250 10.446 -2.993 1.00 0.00 H new ATOM 639 N LEU B 47 10.003 14.274 -4.243 1.00 0.00 N ATOM 640 CA LEU B 47 10.138 15.538 -3.535 1.00 0.00 C ATOM 641 C LEU B 47 8.756 16.111 -3.209 1.00 0.00 C ATOM 642 O LEU B 47 7.902 16.217 -4.091 1.00 0.00 O ATOM 643 CB LEU B 47 10.956 16.513 -4.390 1.00 0.00 C ATOM 644 CG LEU B 47 10.955 17.937 -3.821 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.666 17.981 -2.470 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.688 18.865 -4.787 1.00 0.00 C ATOM 0 H LEU B 47 10.265 14.319 -5.228 1.00 0.00 H new ATOM 0 HA LEU B 47 10.662 15.378 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.983 16.155 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU B 47 10.553 16.530 -5.403 1.00 0.00 H new ATOM 0 HG LEU B 47 9.921 18.256 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.653 19.001 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.155 17.322 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.698 17.652 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.690 19.879 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.715 18.522 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU B 47 11.183 18.857 -5.753 1.00 0.00 H new ATOM 658 N LYS B 48 8.543 16.485 -1.943 1.00 0.00 N ATOM 659 CA LYS B 48 7.301 17.078 -1.492 1.00 0.00 C ATOM 660 C LYS B 48 7.538 18.519 -1.052 1.00 0.00 C ATOM 661 O LYS B 48 8.555 18.828 -0.428 1.00 0.00 O ATOM 662 CB LYS B 48 6.731 16.232 -0.354 1.00 0.00 C ATOM 663 CG LYS B 48 6.390 14.824 -0.846 1.00 0.00 C ATOM 664 CD LYS B 48 5.818 13.989 0.305 1.00 0.00 C ATOM 665 CE LYS B 48 5.594 12.543 -0.142 1.00 0.00 C ATOM 666 NZ LYS B 48 4.583 12.449 -1.212 1.00 0.00 N ATOM 0 H LYS B 48 9.239 16.380 -1.205 1.00 0.00 H new ATOM 0 HA LYS B 48 6.578 17.099 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.454 16.173 0.460 1.00 0.00 H new ATOM 0 HB3 LYS B 48 5.837 16.709 0.048 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.667 14.880 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS B 48 7.283 14.344 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.502 14.012 1.153 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.876 14.421 0.643 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.536 12.122 -0.494 1.00 0.00 H new ATOM 0 HE3 LYS B 48 5.276 11.944 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 4.024 11.581 -1.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.954 13.276 -1.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 5.058 12.424 -2.137 1.00 0.00 H new ATOM 680 N ASN B 49 6.590 19.397 -1.388 1.00 0.00 N ATOM 681 CA ASN B 49 6.658 20.822 -1.086 1.00 0.00 C ATOM 682 C ASN B 49 6.220 21.104 0.355 1.00 0.00 C ATOM 683 O ASN B 49 6.155 20.192 1.178 1.00 0.00 O ATOM 684 CB ASN B 49 5.787 21.588 -2.094 1.00 0.00 C ATOM 685 CG ASN B 49 4.313 21.190 -2.029 1.00 0.00 C ATOM 686 OD1 ASN B 49 3.948 20.181 -1.428 1.00 0.00 O ATOM 687 ND2 ASN B 49 3.456 21.989 -2.656 1.00 0.00 N ATOM 0 H ASN B 49 5.741 19.130 -1.886 1.00 0.00 H new ATOM 0 HA ASN B 49 7.690 21.160 -1.175 1.00 0.00 H new ATOM 0 HB2 ASN B 49 5.878 22.658 -1.906 1.00 0.00 H new ATOM 0 HB3 ASN B 49 6.163 21.408 -3.101 1.00 0.00 H new ATOM 0 HD21 ASN B 49 2.459 21.774 -2.649 1.00 0.00 H new ATOM 0 HD22 ASN B 49 3.795 22.818 -3.144 1.00 0.00 H new ATOM 770 N PRO B 55 10.493 21.475 3.349 1.00 0.00 N ATOM 771 CA PRO B 55 10.375 20.521 2.266 1.00 0.00 C ATOM 772 C PRO B 55 11.175 19.263 2.582 1.00 0.00 C ATOM 773 O PRO B 55 12.164 19.321 3.314 1.00 0.00 O ATOM 774 CB PRO B 55 10.910 21.230 1.022 1.00 0.00 C ATOM 775 CG PRO B 55 11.820 22.323 1.584 1.00 0.00 C ATOM 776 CD PRO B 55 11.190 22.671 2.931 1.00 0.00 C ATOM 0 HA PRO B 55 9.344 20.201 2.114 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.460 20.545 0.377 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.102 21.651 0.424 1.00 0.00 H new ATOM 0 HG2 PRO B 55 12.844 21.968 1.702 1.00 0.00 H new ATOM 0 HG3 PRO B 55 11.857 23.190 0.925 1.00 0.00 H new ATOM 0 HD2 PRO B 55 11.950 22.957 3.658 1.00 0.00 H new ATOM 0 HD3 PRO B 55 10.504 23.513 2.838 1.00 0.00 H new ATOM 784 N PHE B 56 10.744 18.126 2.031 1.00 0.00 N ATOM 785 CA PHE B 56 11.399 16.850 2.284 1.00 0.00 C ATOM 786 C PHE B 56 11.042 15.928 1.123 1.00 0.00 C ATOM 787 O PHE B 56 10.101 16.197 0.377 1.00 0.00 O ATOM 788 CB PHE B 56 10.898 16.279 3.614 1.00 0.00 C ATOM 789 CG PHE B 56 9.476 15.747 3.630 1.00 0.00 C ATOM 790 CD1 PHE B 56 8.389 16.580 3.318 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.243 14.412 3.992 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.078 16.080 3.383 1.00 0.00 C ATOM 793 CE2 PHE B 56 7.932 13.925 4.100 1.00 0.00 C ATOM 794 CZ PHE B 56 6.850 14.753 3.782 1.00 0.00 C ATOM 0 H PHE B 56 9.941 18.068 1.405 1.00 0.00 H new ATOM 0 HA PHE B 56 12.481 16.958 2.355 1.00 0.00 H new ATOM 0 HB2 PHE B 56 11.567 15.472 3.913 1.00 0.00 H new ATOM 0 HB3 PHE B 56 10.979 17.058 4.372 1.00 0.00 H new ATOM 0 HD1 PHE B 56 8.561 17.606 3.028 1.00 0.00 H new ATOM 0 HD2 PHE B 56 10.078 13.755 4.189 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.244 16.717 3.126 1.00 0.00 H new ATOM 0 HE2 PHE B 56 7.758 12.911 4.429 1.00 0.00 H new ATOM 0 HZ PHE B 56 5.841 14.372 3.843 1.00 0.00 H new ATOM 804 N ALA B 57 11.798 14.841 0.961 1.00 0.00 N ATOM 805 CA ALA B 57 11.648 13.975 -0.195 1.00 0.00 C ATOM 806 C ALA B 57 11.926 12.520 0.161 1.00 0.00 C ATOM 807 O ALA B 57 12.350 12.208 1.273 1.00 0.00 O ATOM 808 CB ALA B 57 12.610 14.449 -1.284 1.00 0.00 C ATOM 0 H ALA B 57 12.519 14.545 1.619 1.00 0.00 H new ATOM 0 HA ALA B 57 10.619 14.030 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.511 13.809 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.373 15.477 -1.557 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.633 14.399 -0.912 1.00 0.00 H new ATOM 814 N PHE B 58 11.685 11.633 -0.807 1.00 0.00 N ATOM 815 CA PHE B 58 11.975 10.217 -0.674 1.00 0.00 C ATOM 816 C PHE B 58 12.572 9.701 -1.974 1.00 0.00 C ATOM 817 O PHE B 58 12.427 10.329 -3.021 1.00 0.00 O ATOM 818 CB PHE B 58 10.698 9.454 -0.314 1.00 0.00 C ATOM 819 CG PHE B 58 10.077 9.875 0.993 1.00 0.00 C ATOM 820 CD1 PHE B 58 10.492 9.276 2.189 1.00 0.00 C ATOM 821 CD2 PHE B 58 9.088 10.870 1.010 1.00 0.00 C ATOM 822 CE1 PHE B 58 9.926 9.678 3.406 1.00 0.00 C ATOM 823 CE2 PHE B 58 8.538 11.287 2.227 1.00 0.00 C ATOM 824 CZ PHE B 58 8.958 10.690 3.426 1.00 0.00 C ATOM 0 H PHE B 58 11.280 11.886 -1.708 1.00 0.00 H new ATOM 0 HA PHE B 58 12.698 10.062 0.127 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.968 9.592 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.924 8.389 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE B 58 11.248 8.505 2.173 1.00 0.00 H new ATOM 0 HD2 PHE B 58 8.752 11.314 0.085 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.236 9.208 4.328 1.00 0.00 H new ATOM 0 HE2 PHE B 58 7.791 12.067 2.244 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.534 11.012 4.366 1.00 0.00 H new ATOM 834 N VAL B 59 13.251 8.556 -1.905 1.00 0.00 N ATOM 835 CA VAL B 59 13.883 7.947 -3.064 1.00 0.00 C ATOM 836 C VAL B 59 13.625 6.446 -3.018 1.00 0.00 C ATOM 837 O VAL B 59 13.767 5.828 -1.966 1.00 0.00 O ATOM 838 CB VAL B 59 15.383 8.250 -3.047 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.082 7.511 -4.180 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.627 9.749 -3.209 1.00 0.00 C ATOM 0 H VAL B 59 13.376 8.028 -1.041 1.00 0.00 H new ATOM 0 HA VAL B 59 13.469 8.352 -3.987 1.00 0.00 H new ATOM 0 HB VAL B 59 15.785 7.919 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.149 7.735 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL B 59 15.934 6.438 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.665 7.831 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.699 9.947 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL B 59 15.209 10.085 -4.158 1.00 0.00 H new ATOM 0 HG23 VAL B 59 15.148 10.286 -2.390 1.00 0.00 H new ATOM 850 N GLU B 60 13.243 5.860 -4.154 1.00 0.00 N ATOM 851 CA GLU B 60 12.849 4.462 -4.197 1.00 0.00 C ATOM 852 C GLU B 60 13.818 3.654 -5.053 1.00 0.00 C ATOM 853 O GLU B 60 14.084 4.003 -6.203 1.00 0.00 O ATOM 854 CB GLU B 60 11.408 4.366 -4.693 1.00 0.00 C ATOM 855 CG GLU B 60 10.917 2.920 -4.654 1.00 0.00 C ATOM 856 CD GLU B 60 9.391 2.831 -4.655 1.00 0.00 C ATOM 857 OE1 GLU B 60 8.886 1.702 -4.837 1.00 0.00 O ATOM 858 OE2 GLU B 60 8.743 3.887 -4.474 1.00 0.00 O ATOM 0 H GLU B 60 13.200 6.337 -5.054 1.00 0.00 H new ATOM 0 HA GLU B 60 12.892 4.031 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU B 60 10.763 4.991 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.343 4.750 -5.711 1.00 0.00 H new ATOM 0 HG2 GLU B 60 11.312 2.380 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU B 60 11.308 2.429 -3.763 1.00 0.00 H new ATOM 865 N PHE B 61 14.339 2.567 -4.474 1.00 0.00 N ATOM 866 CA PHE B 61 15.391 1.766 -5.078 1.00 0.00 C ATOM 867 C PHE B 61 14.914 0.549 -5.865 1.00 0.00 C ATOM 868 O PHE B 61 13.864 -0.018 -5.567 1.00 0.00 O ATOM 869 CB PHE B 61 16.408 1.360 -4.014 1.00 0.00 C ATOM 870 CG PHE B 61 17.340 2.471 -3.594 1.00 0.00 C ATOM 871 CD1 PHE B 61 16.842 3.592 -2.914 1.00 0.00 C ATOM 872 CD2 PHE B 61 18.712 2.378 -3.880 1.00 0.00 C ATOM 873 CE1 PHE B 61 17.713 4.623 -2.536 1.00 0.00 C ATOM 874 CE2 PHE B 61 19.581 3.405 -3.487 1.00 0.00 C ATOM 875 CZ PHE B 61 19.080 4.529 -2.820 1.00 0.00 C ATOM 0 H PHE B 61 14.034 2.221 -3.564 1.00 0.00 H new ATOM 0 HA PHE B 61 15.855 2.409 -5.826 1.00 0.00 H new ATOM 0 HB2 PHE B 61 15.874 0.998 -3.136 1.00 0.00 H new ATOM 0 HB3 PHE B 61 17.001 0.527 -4.393 1.00 0.00 H new ATOM 0 HD1 PHE B 61 15.789 3.661 -2.682 1.00 0.00 H new ATOM 0 HD2 PHE B 61 19.097 1.515 -4.403 1.00 0.00 H new ATOM 0 HE1 PHE B 61 17.328 5.493 -2.024 1.00 0.00 H new ATOM 0 HE2 PHE B 61 20.637 3.329 -3.699 1.00 0.00 H new ATOM 0 HZ PHE B 61 19.749 5.324 -2.524 1.00 0.00 H new ATOM 885 N GLU B 62 15.694 0.146 -6.872 1.00 0.00 N ATOM 886 CA GLU B 62 15.497 -1.125 -7.554 1.00 0.00 C ATOM 887 C GLU B 62 16.118 -2.242 -6.713 1.00 0.00 C ATOM 888 O GLU B 62 15.699 -3.397 -6.783 1.00 0.00 O ATOM 889 CB GLU B 62 16.165 -1.052 -8.936 1.00 0.00 C ATOM 890 CG GLU B 62 16.008 -2.354 -9.722 1.00 0.00 C ATOM 891 CD GLU B 62 14.555 -2.643 -10.101 1.00 0.00 C ATOM 892 OE1 GLU B 62 13.695 -1.765 -9.846 1.00 0.00 O ATOM 893 OE2 GLU B 62 14.316 -3.744 -10.647 1.00 0.00 O ATOM 0 H GLU B 62 16.476 0.693 -7.232 1.00 0.00 H new ATOM 0 HA GLU B 62 14.435 -1.332 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU B 62 15.729 -0.231 -9.505 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.225 -0.828 -8.814 1.00 0.00 H new ATOM 0 HG2 GLU B 62 16.612 -2.302 -10.628 1.00 0.00 H new ATOM 0 HG3 GLU B 62 16.396 -3.181 -9.128 1.00 0.00 H new ATOM 900 N ASP B 63 17.124 -1.878 -5.907 1.00 0.00 N ATOM 901 CA ASP B 63 17.830 -2.789 -5.022 1.00 0.00 C ATOM 902 C ASP B 63 18.393 -2.009 -3.830 1.00 0.00 C ATOM 903 O ASP B 63 19.231 -1.124 -4.022 1.00 0.00 O ATOM 904 CB ASP B 63 18.934 -3.506 -5.816 1.00 0.00 C ATOM 905 CG ASP B 63 19.860 -4.357 -4.949 1.00 0.00 C ATOM 906 OD1 ASP B 63 20.860 -4.852 -5.512 1.00 0.00 O ATOM 907 OD2 ASP B 63 19.565 -4.505 -3.743 1.00 0.00 O ATOM 0 H ASP B 63 17.470 -0.920 -5.857 1.00 0.00 H new ATOM 0 HA ASP B 63 17.152 -3.546 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP B 63 18.472 -4.142 -6.571 1.00 0.00 H new ATOM 0 HB3 ASP B 63 19.529 -2.763 -6.346 1.00 0.00 H new ATOM 912 N PRO B 64 17.950 -2.319 -2.604 1.00 0.00 N ATOM 913 CA PRO B 64 18.318 -1.574 -1.413 1.00 0.00 C ATOM 914 C PRO B 64 19.803 -1.716 -1.071 1.00 0.00 C ATOM 915 O PRO B 64 20.284 -1.053 -0.154 1.00 0.00 O ATOM 916 CB PRO B 64 17.440 -2.140 -0.293 1.00 0.00 C ATOM 917 CG PRO B 64 17.078 -3.547 -0.770 1.00 0.00 C ATOM 918 CD PRO B 64 17.043 -3.408 -2.287 1.00 0.00 C ATOM 0 HA PRO B 64 18.161 -0.506 -1.560 1.00 0.00 H new ATOM 0 HB2 PRO B 64 17.975 -2.167 0.656 1.00 0.00 H new ATOM 0 HB3 PRO B 64 16.549 -1.531 -0.140 1.00 0.00 H new ATOM 0 HG2 PRO B 64 17.817 -4.282 -0.451 1.00 0.00 H new ATOM 0 HG3 PRO B 64 16.115 -3.870 -0.374 1.00 0.00 H new ATOM 0 HD2 PRO B 64 17.357 -4.332 -2.772 1.00 0.00 H new ATOM 0 HD3 PRO B 64 16.034 -3.191 -2.637 1.00 0.00 H new ATOM 926 N ARG B 65 20.535 -2.571 -1.793 1.00 0.00 N ATOM 927 CA ARG B 65 21.962 -2.742 -1.561 1.00 0.00 C ATOM 928 C ARG B 65 22.719 -1.457 -1.898 1.00 0.00 C ATOM 929 O ARG B 65 23.768 -1.188 -1.315 1.00 0.00 O ATOM 930 CB ARG B 65 22.468 -3.916 -2.400 1.00 0.00 C ATOM 931 CG ARG B 65 23.967 -4.140 -2.187 1.00 0.00 C ATOM 932 CD ARG B 65 24.414 -5.387 -2.945 1.00 0.00 C ATOM 933 NE ARG B 65 25.856 -5.614 -2.788 1.00 0.00 N ATOM 934 CZ ARG B 65 26.403 -6.313 -1.787 1.00 0.00 C ATOM 935 NH1 ARG B 65 25.632 -6.852 -0.840 1.00 0.00 N ATOM 936 NH2 ARG B 65 27.721 -6.473 -1.731 1.00 0.00 N ATOM 0 H ARG B 65 20.157 -3.152 -2.541 1.00 0.00 H new ATOM 0 HA ARG B 65 22.137 -2.958 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG B 65 21.921 -4.820 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG B 65 22.272 -3.724 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG B 65 24.527 -3.272 -2.534 1.00 0.00 H new ATOM 0 HG3 ARG B 65 24.180 -4.253 -1.124 1.00 0.00 H new ATOM 0 HD2 ARG B 65 23.865 -6.255 -2.580 1.00 0.00 H new ATOM 0 HD3 ARG B 65 24.173 -5.279 -4.003 1.00 0.00 H new ATOM 0 HE ARG B 65 26.481 -5.213 -3.487 1.00 0.00 H new ATOM 0 HH11 ARG B 65 24.620 -6.732 -0.877 1.00 0.00 H new ATOM 0 HH12 ARG B 65 26.055 -7.384 -0.079 1.00 0.00 H new ATOM 0 HH21 ARG B 65 28.316 -6.063 -2.451 1.00 0.00 H new ATOM 0 HH22 ARG B 65 28.138 -7.006 -0.968 1.00 0.00 H new ATOM 950 N ASP B 66 22.192 -0.666 -2.836 1.00 0.00 N ATOM 951 CA ASP B 66 22.823 0.582 -3.247 1.00 0.00 C ATOM 952 C ASP B 66 22.565 1.716 -2.252 1.00 0.00 C ATOM 953 O ASP B 66 23.244 2.743 -2.285 1.00 0.00 O ATOM 954 CB ASP B 66 22.338 0.972 -4.646 1.00 0.00 C ATOM 955 CG ASP B 66 22.787 -0.011 -5.726 1.00 0.00 C ATOM 956 OD1 ASP B 66 22.324 0.165 -6.876 1.00 0.00 O ATOM 957 OD2 ASP B 66 23.584 -0.922 -5.398 1.00 0.00 O ATOM 0 H ASP B 66 21.322 -0.874 -3.326 1.00 0.00 H new ATOM 0 HA ASP B 66 23.900 0.418 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP B 66 21.250 1.030 -4.645 1.00 0.00 H new ATOM 0 HB3 ASP B 66 22.710 1.967 -4.890 1.00 0.00 H new ATOM 962 N ALA B 67 21.582 1.541 -1.365 1.00 0.00 N ATOM 963 CA ALA B 67 21.228 2.576 -0.412 1.00 0.00 C ATOM 964 C ALA B 67 22.339 2.752 0.621 1.00 0.00 C ATOM 965 O ALA B 67 22.420 3.794 1.268 1.00 0.00 O ATOM 966 CB ALA B 67 19.913 2.200 0.266 1.00 0.00 C ATOM 0 H ALA B 67 21.023 0.691 -1.293 1.00 0.00 H new ATOM 0 HA ALA B 67 21.104 3.525 -0.933 1.00 0.00 H new ATOM 0 HB1 ALA B 67 19.640 2.973 0.984 1.00 0.00 H new ATOM 0 HB2 ALA B 67 19.129 2.110 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA B 67 20.030 1.248 0.784 1.00 0.00 H new ATOM 972 N GLU B 68 23.201 1.746 0.787 1.00 0.00 N ATOM 973 CA GLU B 68 24.298 1.825 1.740 1.00 0.00 C ATOM 974 C GLU B 68 25.285 2.921 1.326 1.00 0.00 C ATOM 975 O GLU B 68 25.969 3.496 2.172 1.00 0.00 O ATOM 976 CB GLU B 68 24.986 0.456 1.818 1.00 0.00 C ATOM 977 CG GLU B 68 26.175 0.494 2.782 1.00 0.00 C ATOM 978 CD GLU B 68 26.799 -0.890 2.977 1.00 0.00 C ATOM 979 OE1 GLU B 68 26.246 -1.863 2.420 1.00 0.00 O ATOM 980 OE2 GLU B 68 27.831 -0.957 3.684 1.00 0.00 O ATOM 0 H GLU B 68 23.156 0.868 0.270 1.00 0.00 H new ATOM 0 HA GLU B 68 23.915 2.086 2.727 1.00 0.00 H new ATOM 0 HB2 GLU B 68 24.270 -0.297 2.148 1.00 0.00 H new ATOM 0 HB3 GLU B 68 25.327 0.159 0.826 1.00 0.00 H new ATOM 0 HG2 GLU B 68 26.930 1.181 2.400 1.00 0.00 H new ATOM 0 HG3 GLU B 68 25.848 0.883 3.746 1.00 0.00 H new ATOM 987 N ASP B 69 25.352 3.213 0.023 1.00 0.00 N ATOM 988 CA ASP B 69 26.227 4.251 -0.494 1.00 0.00 C ATOM 989 C ASP B 69 25.542 5.614 -0.563 1.00 0.00 C ATOM 990 O ASP B 69 26.175 6.639 -0.316 1.00 0.00 O ATOM 991 CB ASP B 69 26.756 3.838 -1.873 1.00 0.00 C ATOM 992 CG ASP B 69 27.735 2.663 -1.797 1.00 0.00 C ATOM 993 OD1 ASP B 69 28.172 2.220 -2.884 1.00 0.00 O ATOM 994 OD2 ASP B 69 28.042 2.221 -0.669 1.00 0.00 O ATOM 0 H ASP B 69 24.803 2.736 -0.692 1.00 0.00 H new ATOM 0 HA ASP B 69 27.060 4.359 0.200 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.917 3.567 -2.514 1.00 0.00 H new ATOM 0 HB3 ASP B 69 27.251 4.690 -2.339 1.00 0.00 H new ATOM 999 N ALA B 70 24.249 5.625 -0.899 1.00 0.00 N ATOM 1000 CA ALA B 70 23.495 6.858 -1.055 1.00 0.00 C ATOM 1001 C ALA B 70 23.219 7.499 0.305 1.00 0.00 C ATOM 1002 O ALA B 70 23.086 8.718 0.397 1.00 0.00 O ATOM 1003 CB ALA B 70 22.184 6.545 -1.775 1.00 0.00 C ATOM 0 H ALA B 70 23.703 4.780 -1.068 1.00 0.00 H new ATOM 0 HA ALA B 70 24.077 7.567 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.609 7.462 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.400 6.118 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.607 5.831 -1.187 1.00 0.00 H new ATOM 1009 N VAL B 71 23.134 6.676 1.356 1.00 0.00 N ATOM 1010 CA VAL B 71 22.910 7.154 2.714 1.00 0.00 C ATOM 1011 C VAL B 71 24.207 7.770 3.254 1.00 0.00 C ATOM 1012 O VAL B 71 24.254 8.243 4.388 1.00 0.00 O ATOM 1013 CB VAL B 71 22.408 5.983 3.571 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.401 6.286 5.072 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.970 5.665 3.161 1.00 0.00 C ATOM 0 H VAL B 71 23.219 5.662 1.284 1.00 0.00 H new ATOM 0 HA VAL B 71 22.149 7.934 2.739 1.00 0.00 H new ATOM 0 HB VAL B 71 23.091 5.151 3.401 1.00 0.00 H new ATOM 0 HG11 VAL B 71 22.035 5.416 5.617 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.413 6.521 5.401 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.749 7.137 5.268 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.596 4.835 3.760 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.343 6.541 3.324 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.944 5.392 2.106 1.00 0.00 H new ATOM 1025 N SER B 72 25.272 7.772 2.446 1.00 0.00 N ATOM 1026 CA SER B 72 26.547 8.354 2.833 1.00 0.00 C ATOM 1027 C SER B 72 27.130 9.200 1.697 1.00 0.00 C ATOM 1028 O SER B 72 28.256 9.689 1.800 1.00 0.00 O ATOM 1029 CB SER B 72 27.508 7.235 3.248 1.00 0.00 C ATOM 1030 OG SER B 72 28.723 7.781 3.719 1.00 0.00 O ATOM 0 H SER B 72 25.268 7.370 1.509 1.00 0.00 H new ATOM 0 HA SER B 72 26.396 9.020 3.682 1.00 0.00 H new ATOM 0 HB2 SER B 72 27.051 6.624 4.026 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.701 6.579 2.399 1.00 0.00 H new ATOM 0 HG SER B 72 28.856 8.670 3.328 1.00 0.00 H new ATOM 1036 N GLY B 73 26.373 9.375 0.608 1.00 0.00 N ATOM 1037 CA GLY B 73 26.839 10.121 -0.554 1.00 0.00 C ATOM 1038 C GLY B 73 26.769 11.633 -0.334 1.00 0.00 C ATOM 1039 O GLY B 73 27.562 12.371 -0.917 1.00 0.00 O ATOM 0 H GLY B 73 25.428 9.004 0.513 1.00 0.00 H new ATOM 0 HA2 GLY B 73 27.866 9.835 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY B 73 26.236 9.853 -1.422 1.00 0.00 H new ATOM 1043 N ARG B 74 25.830 12.096 0.500 1.00 0.00 N ATOM 1044 CA ARG B 74 25.690 13.518 0.797 1.00 0.00 C ATOM 1045 C ARG B 74 24.949 13.729 2.120 1.00 0.00 C ATOM 1046 O ARG B 74 24.515 14.839 2.421 1.00 0.00 O ATOM 1047 CB ARG B 74 24.952 14.204 -0.365 1.00 0.00 C ATOM 1048 CG ARG B 74 25.292 15.697 -0.410 1.00 0.00 C ATOM 1049 CD ARG B 74 24.621 16.342 -1.625 1.00 0.00 C ATOM 1050 NE ARG B 74 25.097 17.717 -1.815 1.00 0.00 N ATOM 1051 CZ ARG B 74 24.695 18.511 -2.812 1.00 0.00 C ATOM 1052 NH1 ARG B 74 23.771 18.097 -3.677 1.00 0.00 N ATOM 1053 NH2 ARG B 74 25.219 19.725 -2.946 1.00 0.00 N ATOM 0 H ARG B 74 25.156 11.500 0.980 1.00 0.00 H new ATOM 0 HA ARG B 74 26.679 13.963 0.905 1.00 0.00 H new ATOM 0 HB2 ARG B 74 25.229 13.733 -1.308 1.00 0.00 H new ATOM 0 HB3 ARG B 74 23.876 14.073 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG B 74 24.955 16.184 0.505 1.00 0.00 H new ATOM 0 HG3 ARG B 74 26.372 15.832 -0.464 1.00 0.00 H new ATOM 0 HD2 ARG B 74 24.832 15.753 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG B 74 23.539 16.342 -1.491 1.00 0.00 H new ATOM 0 HE ARG B 74 25.773 18.088 -1.148 1.00 0.00 H new ATOM 0 HH11 ARG B 74 23.364 17.167 -3.582 1.00 0.00 H new ATOM 0 HH12 ARG B 74 23.471 18.710 -4.435 1.00 0.00 H new ATOM 0 HH21 ARG B 74 25.927 20.050 -2.288 1.00 0.00 H new ATOM 0 HH22 ARG B 74 24.913 20.332 -3.707 1.00 0.00 H new ATOM 1067 N ASP B 75 24.797 12.668 2.916 1.00 0.00 N ATOM 1068 CA ASP B 75 24.087 12.747 4.182 1.00 0.00 C ATOM 1069 C ASP B 75 24.893 13.569 5.191 1.00 0.00 C ATOM 1070 O ASP B 75 26.123 13.591 5.140 1.00 0.00 O ATOM 1071 CB ASP B 75 23.853 11.334 4.717 1.00 0.00 C ATOM 1072 CG ASP B 75 23.060 11.337 6.025 1.00 0.00 C ATOM 1073 OD1 ASP B 75 22.239 12.268 6.199 1.00 0.00 O ATOM 1074 OD2 ASP B 75 23.285 10.413 6.838 1.00 0.00 O ATOM 0 H ASP B 75 25.161 11.740 2.698 1.00 0.00 H new ATOM 0 HA ASP B 75 23.127 13.239 4.028 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.317 10.748 3.970 1.00 0.00 H new ATOM 0 HB3 ASP B 75 24.813 10.844 4.877 1.00 0.00 H new ATOM 1079 N GLY B 76 24.198 14.242 6.111 1.00 0.00 N ATOM 1080 CA GLY B 76 24.842 14.981 7.180 1.00 0.00 C ATOM 1081 C GLY B 76 25.695 16.127 6.643 1.00 0.00 C ATOM 1082 O GLY B 76 26.773 16.388 7.173 1.00 0.00 O ATOM 0 H GLY B 76 23.179 14.285 6.129 1.00 0.00 H new ATOM 0 HA2 GLY B 76 24.084 15.378 7.856 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.467 14.305 7.764 1.00 0.00 H new ATOM 1086 N TYR B 77 25.223 16.807 5.591 1.00 0.00 N ATOM 1087 CA TYR B 77 26.008 17.828 4.921 1.00 0.00 C ATOM 1088 C TYR B 77 25.648 19.244 5.358 1.00 0.00 C ATOM 1089 O TYR B 77 24.472 19.596 5.423 1.00 0.00 O ATOM 1090 CB TYR B 77 25.979 17.636 3.403 1.00 0.00 C ATOM 1091 CG TYR B 77 26.452 18.835 2.616 1.00 0.00 C ATOM 1092 CD1 TYR B 77 25.550 19.551 1.815 1.00 0.00 C ATOM 1093 CD2 TYR B 77 27.798 19.231 2.681 1.00 0.00 C ATOM 1094 CE1 TYR B 77 25.985 20.665 1.084 1.00 0.00 C ATOM 1095 CE2 TYR B 77 28.241 20.346 1.955 1.00 0.00 C ATOM 1096 CZ TYR B 77 27.332 21.066 1.153 1.00 0.00 C ATOM 1097 OH TYR B 77 27.757 22.149 0.442 1.00 0.00 O ATOM 0 H TYR B 77 24.296 16.661 5.191 1.00 0.00 H new ATOM 0 HA TYR B 77 27.043 17.698 5.238 1.00 0.00 H new ATOM 0 HB2 TYR B 77 26.600 16.778 3.145 1.00 0.00 H new ATOM 0 HB3 TYR B 77 24.961 17.395 3.098 1.00 0.00 H new ATOM 0 HD1 TYR B 77 24.516 19.243 1.761 1.00 0.00 H new ATOM 0 HD2 TYR B 77 28.494 18.675 3.292 1.00 0.00 H new ATOM 0 HE1 TYR B 77 25.288 21.215 0.469 1.00 0.00 H new ATOM 0 HE2 TYR B 77 29.275 20.652 2.010 1.00 0.00 H new ATOM 0 HH TYR B 77 28.713 22.291 0.602 1.00 0.00 H new ATOM 1107 N ASP B 78 26.670 20.045 5.657 1.00 0.00 N ATOM 1108 CA ASP B 78 26.510 21.419 6.105 1.00 0.00 C ATOM 1109 C ASP B 78 25.819 22.289 5.058 1.00 0.00 C ATOM 1110 O ASP B 78 26.429 22.677 4.062 1.00 0.00 O ATOM 1111 CB ASP B 78 27.875 21.983 6.514 1.00 0.00 C ATOM 1112 CG ASP B 78 27.845 23.489 6.766 1.00 0.00 C ATOM 1113 OD1 ASP B 78 26.755 24.007 7.096 1.00 0.00 O ATOM 1114 OD2 ASP B 78 28.923 24.111 6.623 1.00 0.00 O ATOM 0 H ASP B 78 27.644 19.749 5.592 1.00 0.00 H new ATOM 0 HA ASP B 78 25.854 21.427 6.975 1.00 0.00 H new ATOM 0 HB2 ASP B 78 28.216 21.476 7.416 1.00 0.00 H new ATOM 0 HB3 ASP B 78 28.602 21.765 5.731 1.00 0.00 H new ATOM 1119 N TYR B 79 24.538 22.587 5.298 1.00 0.00 N ATOM 1120 CA TYR B 79 23.734 23.423 4.431 1.00 0.00 C ATOM 1121 C TYR B 79 23.411 24.772 5.081 1.00 0.00 C ATOM 1122 O TYR B 79 23.719 24.991 6.251 1.00 0.00 O ATOM 1123 CB TYR B 79 22.485 22.651 4.001 1.00 0.00 C ATOM 1124 CG TYR B 79 21.456 23.472 3.263 1.00 0.00 C ATOM 1125 CD1 TYR B 79 20.382 24.037 3.961 1.00 0.00 C ATOM 1126 CD2 TYR B 79 21.576 23.667 1.880 1.00 0.00 C ATOM 1127 CE1 TYR B 79 19.412 24.788 3.278 1.00 0.00 C ATOM 1128 CE2 TYR B 79 20.617 24.419 1.188 1.00 0.00 C ATOM 1129 CZ TYR B 79 19.529 24.981 1.888 1.00 0.00 C ATOM 1130 OH TYR B 79 18.597 25.712 1.218 1.00 0.00 O ATOM 0 H TYR B 79 24.032 22.244 6.115 1.00 0.00 H new ATOM 0 HA TYR B 79 24.304 23.666 3.534 1.00 0.00 H new ATOM 0 HB2 TYR B 79 22.790 21.820 3.365 1.00 0.00 H new ATOM 0 HB3 TYR B 79 22.018 22.220 4.887 1.00 0.00 H new ATOM 0 HD1 TYR B 79 20.299 23.895 5.028 1.00 0.00 H new ATOM 0 HD2 TYR B 79 22.410 23.236 1.346 1.00 0.00 H new ATOM 0 HE1 TYR B 79 18.579 25.216 3.817 1.00 0.00 H new ATOM 0 HE2 TYR B 79 20.711 24.568 0.122 1.00 0.00 H new ATOM 0 HH TYR B 79 18.830 25.747 0.267 1.00 0.00 H new ATOM 1140 N ASP B 80 22.790 25.682 4.330 1.00 0.00 N ATOM 1141 CA ASP B 80 22.431 26.993 4.835 1.00 0.00 C ATOM 1142 C ASP B 80 21.434 26.919 5.996 1.00 0.00 C ATOM 1143 O ASP B 80 20.233 26.749 5.781 1.00 0.00 O ATOM 1144 CB ASP B 80 21.910 27.862 3.683 1.00 0.00 C ATOM 1145 CG ASP B 80 21.300 29.177 4.169 1.00 0.00 C ATOM 1146 OD1 ASP B 80 21.627 29.594 5.303 1.00 0.00 O ATOM 1147 OD2 ASP B 80 20.512 29.760 3.392 1.00 0.00 O ATOM 0 H ASP B 80 22.525 25.525 3.358 1.00 0.00 H new ATOM 0 HA ASP B 80 23.327 27.458 5.247 1.00 0.00 H new ATOM 0 HB2 ASP B 80 22.728 28.077 2.996 1.00 0.00 H new ATOM 0 HB3 ASP B 80 21.161 27.304 3.121 1.00 0.00 H new ATOM 1152 N GLY B 81 21.937 27.048 7.229 1.00 0.00 N ATOM 1153 CA GLY B 81 21.118 27.045 8.435 1.00 0.00 C ATOM 1154 C GLY B 81 20.650 25.643 8.835 1.00 0.00 C ATOM 1155 O GLY B 81 20.081 25.472 9.913 1.00 0.00 O ATOM 0 H GLY B 81 22.934 27.158 7.414 1.00 0.00 H new ATOM 0 HA2 GLY B 81 21.688 27.480 9.256 1.00 0.00 H new ATOM 0 HA3 GLY B 81 20.248 27.682 8.278 1.00 0.00 H new ATOM 1159 N TYR B 82 20.884 24.639 7.979 1.00 0.00 N ATOM 1160 CA TYR B 82 20.463 23.266 8.234 1.00 0.00 C ATOM 1161 C TYR B 82 21.514 22.231 7.832 1.00 0.00 C ATOM 1162 O TYR B 82 22.653 22.577 7.521 1.00 0.00 O ATOM 1163 CB TYR B 82 19.110 22.996 7.571 1.00 0.00 C ATOM 1164 CG TYR B 82 17.960 23.746 8.201 1.00 0.00 C ATOM 1165 CD1 TYR B 82 17.160 23.132 9.177 1.00 0.00 C ATOM 1166 CD2 TYR B 82 17.693 25.063 7.799 1.00 0.00 C ATOM 1167 CE1 TYR B 82 16.086 23.829 9.748 1.00 0.00 C ATOM 1168 CE2 TYR B 82 16.619 25.768 8.361 1.00 0.00 C ATOM 1169 CZ TYR B 82 15.811 25.152 9.338 1.00 0.00 C ATOM 1170 OH TYR B 82 14.761 25.834 9.881 1.00 0.00 O ATOM 0 H TYR B 82 21.371 24.762 7.091 1.00 0.00 H new ATOM 0 HA TYR B 82 20.349 23.157 9.313 1.00 0.00 H new ATOM 0 HB2 TYR B 82 19.173 23.265 6.517 1.00 0.00 H new ATOM 0 HB3 TYR B 82 18.902 21.927 7.615 1.00 0.00 H new ATOM 0 HD1 TYR B 82 17.372 22.120 9.489 1.00 0.00 H new ATOM 0 HD2 TYR B 82 18.316 25.536 7.054 1.00 0.00 H new ATOM 0 HE1 TYR B 82 15.471 23.356 10.499 1.00 0.00 H new ATOM 0 HE2 TYR B 82 16.412 26.780 8.046 1.00 0.00 H new ATOM 0 HH TYR B 82 14.715 26.731 9.488 1.00 0.00 H new ATOM 1180 N ARG B 83 21.130 20.952 7.838 1.00 0.00 N ATOM 1181 CA ARG B 83 22.017 19.844 7.524 1.00 0.00 C ATOM 1182 C ARG B 83 21.216 18.765 6.806 1.00 0.00 C ATOM 1183 O ARG B 83 20.109 18.432 7.228 1.00 0.00 O ATOM 1184 CB ARG B 83 22.642 19.334 8.830 1.00 0.00 C ATOM 1185 CG ARG B 83 23.697 18.259 8.565 1.00 0.00 C ATOM 1186 CD ARG B 83 24.401 17.921 9.881 1.00 0.00 C ATOM 1187 NE ARG B 83 25.495 16.966 9.674 1.00 0.00 N ATOM 1188 CZ ARG B 83 25.735 15.907 10.454 1.00 0.00 C ATOM 1189 NH1 ARG B 83 24.967 15.653 11.512 1.00 0.00 N ATOM 1190 NH2 ARG B 83 26.752 15.100 10.168 1.00 0.00 N ATOM 0 H ARG B 83 20.180 20.660 8.065 1.00 0.00 H new ATOM 0 HA ARG B 83 22.826 20.153 6.863 1.00 0.00 H new ATOM 0 HB2 ARG B 83 23.097 20.167 9.366 1.00 0.00 H new ATOM 0 HB3 ARG B 83 21.862 18.928 9.474 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.230 17.367 8.147 1.00 0.00 H new ATOM 0 HG3 ARG B 83 24.420 18.613 7.831 1.00 0.00 H new ATOM 0 HD2 ARG B 83 24.793 18.833 10.330 1.00 0.00 H new ATOM 0 HD3 ARG B 83 23.680 17.504 10.584 1.00 0.00 H new ATOM 0 HE ARG B 83 26.116 17.121 8.880 1.00 0.00 H new ATOM 0 HH11 ARG B 83 24.186 16.270 11.735 1.00 0.00 H new ATOM 0 HH12 ARG B 83 25.160 14.842 12.099 1.00 0.00 H new ATOM 0 HH21 ARG B 83 27.342 15.291 9.359 1.00 0.00 H new ATOM 0 HH22 ARG B 83 26.942 14.290 10.758 1.00 0.00 H new ATOM 1204 N LEU B 84 21.771 18.223 5.720 1.00 0.00 N ATOM 1205 CA LEU B 84 21.099 17.212 4.919 1.00 0.00 C ATOM 1206 C LEU B 84 20.858 15.957 5.763 1.00 0.00 C ATOM 1207 O LEU B 84 21.686 15.609 6.604 1.00 0.00 O ATOM 1208 CB LEU B 84 21.960 16.866 3.693 1.00 0.00 C ATOM 1209 CG LEU B 84 21.828 17.863 2.530 1.00 0.00 C ATOM 1210 CD1 LEU B 84 20.445 17.771 1.900 1.00 0.00 C ATOM 1211 CD2 LEU B 84 22.079 19.308 2.972 1.00 0.00 C ATOM 0 H LEU B 84 22.697 18.476 5.376 1.00 0.00 H new ATOM 0 HA LEU B 84 20.138 17.600 4.581 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.005 16.818 3.999 1.00 0.00 H new ATOM 0 HB3 LEU B 84 21.685 15.873 3.338 1.00 0.00 H new ATOM 0 HG LEU B 84 22.590 17.592 1.800 1.00 0.00 H new ATOM 0 HD11 LEU B 84 20.371 18.484 1.079 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.285 16.762 1.520 1.00 0.00 H new ATOM 0 HD13 LEU B 84 19.688 18.001 2.650 1.00 0.00 H new ATOM 0 HD21 LEU B 84 21.974 19.974 2.115 1.00 0.00 H new ATOM 0 HD22 LEU B 84 21.355 19.585 3.738 1.00 0.00 H new ATOM 0 HD23 LEU B 84 23.087 19.395 3.378 1.00 0.00 H new ATOM 1223 N ARG B 85 19.723 15.285 5.533 1.00 0.00 N ATOM 1224 CA ARG B 85 19.362 14.071 6.262 1.00 0.00 C ATOM 1225 C ARG B 85 18.904 12.980 5.303 1.00 0.00 C ATOM 1226 O ARG B 85 17.719 12.655 5.244 1.00 0.00 O ATOM 1227 CB ARG B 85 18.298 14.392 7.317 1.00 0.00 C ATOM 1228 CG ARG B 85 18.908 15.237 8.439 1.00 0.00 C ATOM 1229 CD ARG B 85 17.831 15.672 9.431 1.00 0.00 C ATOM 1230 NE ARG B 85 16.876 16.592 8.800 1.00 0.00 N ATOM 1231 CZ ARG B 85 15.550 16.536 8.965 1.00 0.00 C ATOM 1232 NH1 ARG B 85 14.995 15.642 9.777 1.00 0.00 N ATOM 1233 NH2 ARG B 85 14.769 17.387 8.306 1.00 0.00 N ATOM 0 H ARG B 85 19.033 15.570 4.838 1.00 0.00 H new ATOM 0 HA ARG B 85 20.242 13.690 6.780 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.469 14.929 6.857 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.891 13.468 7.727 1.00 0.00 H new ATOM 0 HG2 ARG B 85 19.677 14.663 8.957 1.00 0.00 H new ATOM 0 HG3 ARG B 85 19.396 16.115 8.016 1.00 0.00 H new ATOM 0 HD2 ARG B 85 17.303 14.796 9.808 1.00 0.00 H new ATOM 0 HD3 ARG B 85 18.296 16.157 10.289 1.00 0.00 H new ATOM 0 HE ARG B 85 17.249 17.323 8.195 1.00 0.00 H new ATOM 0 HH11 ARG B 85 15.583 14.983 10.288 1.00 0.00 H new ATOM 0 HH12 ARG B 85 13.982 15.615 9.890 1.00 0.00 H new ATOM 0 HH21 ARG B 85 15.182 18.077 7.679 1.00 0.00 H new ATOM 0 HH22 ARG B 85 13.757 17.349 8.428 1.00 0.00 H new ATOM 1247 N VAL B 86 19.853 12.411 4.554 1.00 0.00 N ATOM 1248 CA VAL B 86 19.578 11.315 3.632 1.00 0.00 C ATOM 1249 C VAL B 86 19.690 9.986 4.377 1.00 0.00 C ATOM 1250 O VAL B 86 20.774 9.415 4.468 1.00 0.00 O ATOM 1251 CB VAL B 86 20.545 11.371 2.441 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.231 10.246 1.458 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.427 12.716 1.722 1.00 0.00 C ATOM 0 H VAL B 86 20.831 12.700 4.573 1.00 0.00 H new ATOM 0 HA VAL B 86 18.565 11.408 3.241 1.00 0.00 H new ATOM 0 HB VAL B 86 21.561 11.253 2.817 1.00 0.00 H new ATOM 0 HG11 VAL B 86 20.922 10.294 0.617 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.337 9.284 1.960 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.209 10.355 1.095 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.119 12.740 0.880 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.408 12.846 1.358 1.00 0.00 H new ATOM 0 HG23 VAL B 86 20.670 13.522 2.415 1.00 0.00 H new ATOM 1263 N GLU B 87 18.569 9.495 4.907 1.00 0.00 N ATOM 1264 CA GLU B 87 18.528 8.227 5.625 1.00 0.00 C ATOM 1265 C GLU B 87 17.153 7.574 5.496 1.00 0.00 C ATOM 1266 O GLU B 87 16.169 8.243 5.194 1.00 0.00 O ATOM 1267 CB GLU B 87 18.893 8.456 7.097 1.00 0.00 C ATOM 1268 CG GLU B 87 17.884 9.389 7.781 1.00 0.00 C ATOM 1269 CD GLU B 87 18.237 9.639 9.247 1.00 0.00 C ATOM 1270 OE1 GLU B 87 17.526 10.455 9.875 1.00 0.00 O ATOM 1271 OE2 GLU B 87 19.209 9.015 9.731 1.00 0.00 O ATOM 0 H GLU B 87 17.667 9.967 4.849 1.00 0.00 H new ATOM 0 HA GLU B 87 19.257 7.547 5.185 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.921 7.500 7.620 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.893 8.885 7.164 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.851 10.340 7.249 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.887 8.953 7.717 1.00 0.00 H new ATOM 1278 N PHE B 88 17.088 6.261 5.730 1.00 0.00 N ATOM 1279 CA PHE B 88 15.841 5.516 5.632 1.00 0.00 C ATOM 1280 C PHE B 88 14.857 5.759 6.781 1.00 0.00 C ATOM 1281 O PHE B 88 15.276 6.101 7.891 1.00 0.00 O ATOM 1282 CB PHE B 88 16.119 4.025 5.410 1.00 0.00 C ATOM 1283 CG PHE B 88 17.305 3.504 6.189 1.00 0.00 C ATOM 1284 CD1 PHE B 88 17.142 3.062 7.509 1.00 0.00 C ATOM 1285 CD2 PHE B 88 18.570 3.468 5.589 1.00 0.00 C ATOM 1286 CE1 PHE B 88 18.245 2.586 8.229 1.00 0.00 C ATOM 1287 CE2 PHE B 88 19.675 2.990 6.309 1.00 0.00 C ATOM 1288 CZ PHE B 88 19.513 2.550 7.628 1.00 0.00 C ATOM 0 H PHE B 88 17.894 5.693 5.990 1.00 0.00 H new ATOM 0 HA PHE B 88 15.326 5.910 4.756 1.00 0.00 H new ATOM 0 HB2 PHE B 88 15.233 3.454 5.689 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.289 3.851 4.348 1.00 0.00 H new ATOM 0 HD1 PHE B 88 16.166 3.088 7.971 1.00 0.00 H new ATOM 0 HD2 PHE B 88 18.695 3.808 4.572 1.00 0.00 H new ATOM 0 HE1 PHE B 88 18.120 2.247 9.247 1.00 0.00 H new ATOM 0 HE2 PHE B 88 20.650 2.961 5.846 1.00 0.00 H new ATOM 0 HZ PHE B 88 20.364 2.183 8.183 1.00 0.00 H new ATOM 1298 N PRO B 89 13.552 5.583 6.529 1.00 0.00 N ATOM 1299 CA PRO B 89 12.510 5.697 7.537 1.00 0.00 C ATOM 1300 C PRO B 89 12.625 4.562 8.560 1.00 0.00 C ATOM 1301 O PRO B 89 12.455 4.858 9.764 1.00 0.00 O ATOM 1302 CB PRO B 89 11.193 5.623 6.770 1.00 0.00 C ATOM 1303 CG PRO B 89 11.543 4.869 5.485 1.00 0.00 C ATOM 1304 CD PRO B 89 13.000 5.249 5.232 1.00 0.00 C ATOM 0 HA PRO B 89 12.587 6.626 8.102 1.00 0.00 H new ATOM 0 HB2 PRO B 89 10.428 5.098 7.343 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.803 6.617 6.554 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.425 3.792 5.607 1.00 0.00 H new ATOM 0 HG3 PRO B 89 10.901 5.168 4.657 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.546 4.423 4.776 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.070 6.094 4.548 1.00 0.00 H new