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= -0.158 USER MOD Single : B 19 TYR OH : rot 80:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -0.582 X(o=-0.58,f=-0.95) USER MOD Single : B 30 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.07) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 167:sc= -0.0124 (180deg=-0.255) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -163:sc= -0.0333 (180deg=-0.346) USER MOD Single : B 49 ASN : amide:sc= -0.276 K(o=-0.28,f=-3.3!) USER MOD Single : B 72 SER OG : rot -36:sc= 0.104 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 13.280 -0.912 0.138 1.00 0.00 N ATOM 139 CA CYS B 16 14.121 -0.450 -0.961 1.00 0.00 C ATOM 140 C CYS B 16 14.015 1.066 -1.114 1.00 0.00 C ATOM 141 O CYS B 16 14.680 1.646 -1.972 1.00 0.00 O ATOM 142 CB CYS B 16 13.709 -1.148 -2.260 1.00 0.00 C ATOM 143 SG CYS B 16 13.793 -2.946 -2.047 1.00 0.00 S ATOM 0 HA CYS B 16 15.159 -0.700 -0.740 1.00 0.00 H new ATOM 0 HB2 CYS B 16 12.697 -0.853 -2.537 1.00 0.00 H new ATOM 0 HB3 CYS B 16 14.365 -0.838 -3.073 1.00 0.00 H new ATOM 0 HG CYS B 16 13.440 -3.531 -3.153 1.00 0.00 H new ATOM 149 N ARG B 17 13.180 1.705 -0.289 1.00 0.00 N ATOM 150 CA ARG B 17 12.959 3.137 -0.341 1.00 0.00 C ATOM 151 C ARG B 17 13.759 3.826 0.767 1.00 0.00 C ATOM 152 O ARG B 17 13.955 3.249 1.836 1.00 0.00 O ATOM 153 CB ARG B 17 11.460 3.397 -0.186 1.00 0.00 C ATOM 154 CG ARG B 17 11.122 4.814 -0.633 1.00 0.00 C ATOM 155 CD ARG B 17 9.659 5.133 -0.323 1.00 0.00 C ATOM 156 NE ARG B 17 8.744 4.192 -0.983 1.00 0.00 N ATOM 157 CZ ARG B 17 7.480 3.989 -0.590 1.00 0.00 C ATOM 158 NH1 ARG B 17 6.976 4.669 0.435 1.00 0.00 N ATOM 159 NH2 ARG B 17 6.718 3.105 -1.224 1.00 0.00 N ATOM 0 H ARG B 17 12.639 1.232 0.435 1.00 0.00 H new ATOM 0 HA ARG B 17 13.297 3.544 -1.294 1.00 0.00 H new ATOM 0 HB2 ARG B 17 10.896 2.677 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.165 3.256 0.854 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.772 5.527 -0.126 1.00 0.00 H new ATOM 0 HG3 ARG B 17 11.306 4.919 -1.702 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.500 5.099 0.755 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.432 6.149 -0.647 1.00 0.00 H new ATOM 0 HE ARG B 17 9.090 3.664 -1.784 1.00 0.00 H new ATOM 0 HH11 ARG B 17 7.553 5.351 0.928 1.00 0.00 H new ATOM 0 HH12 ARG B 17 6.012 4.509 0.729 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.095 2.579 -2.012 1.00 0.00 H new ATOM 0 HH22 ARG B 17 5.756 2.952 -0.923 1.00 0.00 H new ATOM 173 N ILE B 18 14.215 5.054 0.514 1.00 0.00 N ATOM 174 CA ILE B 18 14.925 5.849 1.508 1.00 0.00 C ATOM 175 C ILE B 18 14.369 7.269 1.533 1.00 0.00 C ATOM 176 O ILE B 18 13.521 7.629 0.720 1.00 0.00 O ATOM 177 CB ILE B 18 16.433 5.847 1.230 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.763 6.666 -0.024 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.947 4.413 1.088 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.277 6.804 -0.211 1.00 0.00 C ATOM 0 H ILE B 18 14.101 5.522 -0.385 1.00 0.00 H new ATOM 0 HA ILE B 18 14.772 5.403 2.491 1.00 0.00 H new ATOM 0 HB ILE B 18 16.935 6.314 2.077 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.328 6.186 -0.900 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.312 7.655 0.055 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.019 4.429 0.891 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.756 3.865 2.010 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.433 3.923 0.261 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.481 7.389 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.706 7.306 0.656 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.723 5.815 -0.314 1.00 0.00 H new ATOM 192 N TYR B 19 14.865 8.068 2.481 1.00 0.00 N ATOM 193 CA TYR B 19 14.396 9.428 2.719 1.00 0.00 C ATOM 194 C TYR B 19 15.460 10.505 2.535 1.00 0.00 C ATOM 195 O TYR B 19 16.648 10.263 2.750 1.00 0.00 O ATOM 196 CB TYR B 19 13.663 9.520 4.062 1.00 0.00 C ATOM 197 CG TYR B 19 13.690 10.888 4.707 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.596 11.759 4.585 1.00 0.00 C ATOM 199 CD2 TYR B 19 14.820 11.284 5.443 1.00 0.00 C ATOM 200 CE1 TYR B 19 12.628 13.019 5.202 1.00 0.00 C ATOM 201 CE2 TYR B 19 14.859 12.543 6.059 1.00 0.00 C ATOM 202 CZ TYR B 19 13.765 13.420 5.932 1.00 0.00 C ATOM 203 OH TYR B 19 13.802 14.651 6.514 1.00 0.00 O ATOM 0 H TYR B 19 15.614 7.781 3.111 1.00 0.00 H new ATOM 0 HA TYR B 19 13.676 9.649 1.931 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.624 9.224 3.914 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.105 8.800 4.751 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.729 11.459 4.016 1.00 0.00 H new ATOM 0 HD2 TYR B 19 15.663 10.615 5.535 1.00 0.00 H new ATOM 0 HE1 TYR B 19 11.780 13.682 5.117 1.00 0.00 H new ATOM 0 HE2 TYR B 19 15.727 12.839 6.630 1.00 0.00 H new ATOM 0 HH TYR B 19 13.299 14.631 7.355 1.00 0.00 H new ATOM 213 N VAL B 20 15.020 11.699 2.136 1.00 0.00 N ATOM 214 CA VAL B 20 15.893 12.841 1.904 1.00 0.00 C ATOM 215 C VAL B 20 15.231 14.103 2.443 1.00 0.00 C ATOM 216 O VAL B 20 14.016 14.255 2.343 1.00 0.00 O ATOM 217 CB VAL B 20 16.194 12.971 0.408 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.134 14.151 0.159 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.843 11.695 -0.133 1.00 0.00 C ATOM 0 H VAL B 20 14.035 11.898 1.964 1.00 0.00 H new ATOM 0 HA VAL B 20 16.838 12.696 2.427 1.00 0.00 H new ATOM 0 HB VAL B 20 15.249 13.136 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.340 14.233 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.665 15.070 0.509 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.068 13.992 0.698 1.00 0.00 H new ATOM 0 HG21 VAL B 20 17.047 11.813 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.777 11.509 0.397 1.00 0.00 H new ATOM 0 HG23 VAL B 20 16.168 10.852 0.016 1.00 0.00 H new ATOM 229 N GLY B 21 16.026 15.010 3.018 1.00 0.00 N ATOM 230 CA GLY B 21 15.513 16.241 3.589 1.00 0.00 C ATOM 231 C GLY B 21 16.565 17.343 3.563 1.00 0.00 C ATOM 232 O GLY B 21 17.741 17.087 3.293 1.00 0.00 O ATOM 0 H GLY B 21 17.038 14.905 3.096 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.632 16.563 3.033 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.195 16.063 4.616 1.00 0.00 H new ATOM 236 N ASN B 22 16.128 18.572 3.847 1.00 0.00 N ATOM 237 CA ASN B 22 16.949 19.771 3.756 1.00 0.00 C ATOM 238 C ASN B 22 17.459 19.991 2.330 1.00 0.00 C ATOM 239 O ASN B 22 18.587 20.439 2.134 1.00 0.00 O ATOM 240 CB ASN B 22 18.095 19.713 4.769 1.00 0.00 C ATOM 241 CG ASN B 22 18.702 21.097 4.970 1.00 0.00 C ATOM 242 OD1 ASN B 22 17.981 22.084 5.102 1.00 0.00 O ATOM 243 ND2 ASN B 22 20.030 21.180 4.993 1.00 0.00 N ATOM 0 H ASN B 22 15.173 18.760 4.152 1.00 0.00 H new ATOM 0 HA ASN B 22 16.328 20.631 4.005 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.728 19.329 5.721 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.861 19.021 4.420 1.00 0.00 H new ATOM 0 HD21 ASN B 22 20.482 22.085 5.124 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.596 20.339 4.880 1.00 0.00 H new ATOM 250 N LEU B 23 16.629 19.678 1.330 1.00 0.00 N ATOM 251 CA LEU B 23 16.984 19.918 -0.061 1.00 0.00 C ATOM 252 C LEU B 23 17.187 21.420 -0.287 1.00 0.00 C ATOM 253 O LEU B 23 16.470 22.232 0.302 1.00 0.00 O ATOM 254 CB LEU B 23 15.884 19.381 -0.980 1.00 0.00 C ATOM 255 CG LEU B 23 15.830 17.852 -0.964 1.00 0.00 C ATOM 256 CD1 LEU B 23 14.557 17.388 -1.666 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.038 17.274 -1.700 1.00 0.00 C ATOM 0 H LEU B 23 15.709 19.259 1.464 1.00 0.00 H new ATOM 0 HA LEU B 23 17.913 19.398 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.920 19.783 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU B 23 16.059 19.728 -1.998 1.00 0.00 H new ATOM 0 HG LEU B 23 15.839 17.508 0.070 1.00 0.00 H new ATOM 0 HD11 LEU B 23 14.513 16.299 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU B 23 13.688 17.790 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU B 23 14.560 17.743 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU B 23 16.988 16.185 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.034 17.620 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU B 23 17.954 17.604 -1.210 1.00 0.00 H new ATOM 366 N LYS B 30 14.988 16.522 -11.726 1.00 0.00 N ATOM 367 CA LYS B 30 15.898 15.625 -12.423 1.00 0.00 C ATOM 368 C LYS B 30 17.220 15.486 -11.672 1.00 0.00 C ATOM 369 O LYS B 30 17.806 14.405 -11.653 1.00 0.00 O ATOM 370 CB LYS B 30 16.129 16.155 -13.841 1.00 0.00 C ATOM 371 CG LYS B 30 17.106 15.269 -14.622 1.00 0.00 C ATOM 372 CD LYS B 30 16.505 13.887 -14.872 1.00 0.00 C ATOM 373 CE LYS B 30 17.570 12.949 -15.436 1.00 0.00 C ATOM 374 NZ LYS B 30 16.982 11.642 -15.788 1.00 0.00 N ATOM 0 HA LYS B 30 15.452 14.632 -12.474 1.00 0.00 H new ATOM 0 HB2 LYS B 30 15.178 16.204 -14.371 1.00 0.00 H new ATOM 0 HB3 LYS B 30 16.519 17.172 -13.791 1.00 0.00 H new ATOM 0 HG2 LYS B 30 17.351 15.741 -15.573 1.00 0.00 H new ATOM 0 HG3 LYS B 30 18.038 15.170 -14.066 1.00 0.00 H new ATOM 0 HD2 LYS B 30 16.106 13.481 -13.942 1.00 0.00 H new ATOM 0 HD3 LYS B 30 15.671 13.965 -15.569 1.00 0.00 H new ATOM 0 HE2 LYS B 30 18.026 13.398 -16.319 1.00 0.00 H new ATOM 0 HE3 LYS B 30 18.364 12.810 -14.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 17.742 10.949 -15.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 16.369 11.317 -15.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 16.420 11.737 -16.658 1.00 0.00 H new ATOM 388 N ASP B 31 17.696 16.565 -11.054 1.00 0.00 N ATOM 389 CA ASP B 31 18.948 16.526 -10.310 1.00 0.00 C ATOM 390 C ASP B 31 18.832 15.574 -9.120 1.00 0.00 C ATOM 391 O ASP B 31 19.826 14.996 -8.681 1.00 0.00 O ATOM 392 CB ASP B 31 19.319 17.935 -9.839 1.00 0.00 C ATOM 393 CG ASP B 31 19.578 18.892 -11.000 1.00 0.00 C ATOM 394 OD1 ASP B 31 19.697 20.106 -10.729 1.00 0.00 O ATOM 395 OD2 ASP B 31 19.653 18.407 -12.150 1.00 0.00 O ATOM 0 H ASP B 31 17.233 17.474 -11.055 1.00 0.00 H new ATOM 0 HA ASP B 31 19.737 16.157 -10.965 1.00 0.00 H new ATOM 0 HB2 ASP B 31 18.514 18.331 -9.219 1.00 0.00 H new ATOM 0 HB3 ASP B 31 20.208 17.882 -9.211 1.00 0.00 H new ATOM 400 N ILE B 32 17.608 15.423 -8.603 1.00 0.00 N ATOM 401 CA ILE B 32 17.345 14.583 -7.445 1.00 0.00 C ATOM 402 C ILE B 32 17.455 13.096 -7.798 1.00 0.00 C ATOM 403 O ILE B 32 17.514 12.260 -6.901 1.00 0.00 O ATOM 404 CB ILE B 32 15.964 14.927 -6.877 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.742 14.168 -5.564 1.00 0.00 C ATOM 406 CG2 ILE B 32 14.855 14.574 -7.875 1.00 0.00 C ATOM 407 CD1 ILE B 32 14.580 14.769 -4.775 1.00 0.00 C ATOM 0 H ILE B 32 16.778 15.881 -8.979 1.00 0.00 H new ATOM 0 HA ILE B 32 18.099 14.779 -6.683 1.00 0.00 H new ATOM 0 HB ILE B 32 15.927 16.000 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.538 13.119 -5.776 1.00 0.00 H new ATOM 0 HG13 ILE B 32 16.650 14.201 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE B 32 13.886 14.828 -7.447 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.003 15.136 -8.797 1.00 0.00 H new ATOM 0 HG23 ILE B 32 14.887 13.506 -8.092 1.00 0.00 H new ATOM 0 HD11 ILE B 32 14.443 14.212 -3.848 1.00 0.00 H new ATOM 0 HD12 ILE B 32 14.798 15.812 -4.544 1.00 0.00 H new ATOM 0 HD13 ILE B 32 13.668 14.712 -5.370 1.00 0.00 H new ATOM 419 N GLU B 33 17.482 12.751 -9.092 1.00 0.00 N ATOM 420 CA GLU B 33 17.711 11.368 -9.485 1.00 0.00 C ATOM 421 C GLU B 33 19.006 11.241 -10.287 1.00 0.00 C ATOM 422 O GLU B 33 19.460 10.128 -10.542 1.00 0.00 O ATOM 423 CB GLU B 33 16.509 10.824 -10.268 1.00 0.00 C ATOM 424 CG GLU B 33 16.386 11.451 -11.662 1.00 0.00 C ATOM 425 CD GLU B 33 15.320 10.745 -12.501 1.00 0.00 C ATOM 426 OE1 GLU B 33 14.606 9.882 -11.940 1.00 0.00 O ATOM 427 OE2 GLU B 33 15.229 11.079 -13.706 1.00 0.00 O ATOM 0 H GLU B 33 17.350 13.402 -9.866 1.00 0.00 H new ATOM 0 HA GLU B 33 17.821 10.765 -8.584 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.602 9.742 -10.366 1.00 0.00 H new ATOM 0 HB3 GLU B 33 15.596 11.015 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU B 33 16.135 12.507 -11.566 1.00 0.00 H new ATOM 0 HG3 GLU B 33 17.347 11.397 -12.173 1.00 0.00 H new ATOM 434 N ASP B 34 19.608 12.365 -10.682 1.00 0.00 N ATOM 435 CA ASP B 34 20.865 12.344 -11.412 1.00 0.00 C ATOM 436 C ASP B 34 22.012 11.924 -10.494 1.00 0.00 C ATOM 437 O ASP B 34 22.735 10.968 -10.778 1.00 0.00 O ATOM 438 CB ASP B 34 21.116 13.720 -12.034 1.00 0.00 C ATOM 439 CG ASP B 34 22.490 13.821 -12.701 1.00 0.00 C ATOM 440 OD1 ASP B 34 22.973 14.969 -12.829 1.00 0.00 O ATOM 441 OD2 ASP B 34 23.038 12.765 -13.080 1.00 0.00 O ATOM 0 H ASP B 34 19.240 13.300 -10.505 1.00 0.00 H new ATOM 0 HA ASP B 34 20.807 11.609 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP B 34 20.341 13.928 -12.772 1.00 0.00 H new ATOM 0 HB3 ASP B 34 21.034 14.485 -11.262 1.00 0.00 H new ATOM 446 N VAL B 35 22.181 12.639 -9.377 1.00 0.00 N ATOM 447 CA VAL B 35 23.238 12.312 -8.428 1.00 0.00 C ATOM 448 C VAL B 35 22.964 10.971 -7.748 1.00 0.00 C ATOM 449 O VAL B 35 23.889 10.219 -7.452 1.00 0.00 O ATOM 450 CB VAL B 35 23.409 13.452 -7.414 1.00 0.00 C ATOM 451 CG1 VAL B 35 22.232 13.514 -6.438 1.00 0.00 C ATOM 452 CG2 VAL B 35 24.692 13.247 -6.610 1.00 0.00 C ATOM 0 H VAL B 35 21.604 13.438 -9.114 1.00 0.00 H new ATOM 0 HA VAL B 35 24.179 12.206 -8.967 1.00 0.00 H new ATOM 0 HB VAL B 35 23.455 14.385 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL B 35 22.386 14.332 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL B 35 21.308 13.681 -6.992 1.00 0.00 H new ATOM 0 HG13 VAL B 35 22.163 12.573 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL B 35 24.806 14.060 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL B 35 24.640 12.298 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL B 35 25.547 13.237 -7.286 1.00 0.00 H new ATOM 462 N PHE B 36 21.687 10.666 -7.505 1.00 0.00 N ATOM 463 CA PHE B 36 21.321 9.388 -6.924 1.00 0.00 C ATOM 464 C PHE B 36 21.527 8.212 -7.871 1.00 0.00 C ATOM 465 O PHE B 36 21.852 7.114 -7.430 1.00 0.00 O ATOM 466 CB PHE B 36 19.912 9.438 -6.335 1.00 0.00 C ATOM 467 CG PHE B 36 19.846 10.111 -4.981 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.889 9.337 -3.812 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.746 11.506 -4.890 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.834 9.960 -2.557 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.690 12.129 -3.636 1.00 0.00 C ATOM 472 CZ PHE B 36 19.737 11.355 -2.468 1.00 0.00 C ATOM 0 H PHE B 36 20.901 11.285 -7.702 1.00 0.00 H new ATOM 0 HA PHE B 36 22.012 9.205 -6.101 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.256 9.967 -7.027 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.528 8.422 -6.246 1.00 0.00 H new ATOM 0 HD1 PHE B 36 19.964 8.262 -3.879 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.712 12.103 -5.789 1.00 0.00 H new ATOM 0 HE1 PHE B 36 19.866 9.363 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE B 36 19.611 13.204 -3.569 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.698 11.834 -1.501 1.00 0.00 H new ATOM 482 N SER B 37 21.340 8.438 -9.181 1.00 0.00 N ATOM 483 CA SER B 37 21.576 7.408 -10.184 1.00 0.00 C ATOM 484 C SER B 37 23.065 7.082 -10.261 1.00 0.00 C ATOM 485 O SER B 37 23.434 5.963 -10.615 1.00 0.00 O ATOM 486 CB SER B 37 21.055 7.883 -11.542 1.00 0.00 C ATOM 487 OG SER B 37 21.356 6.923 -12.535 1.00 0.00 O ATOM 0 H SER B 37 21.025 9.330 -9.563 1.00 0.00 H new ATOM 0 HA SER B 37 21.042 6.501 -9.902 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.978 8.042 -11.493 1.00 0.00 H new ATOM 0 HB3 SER B 37 21.507 8.840 -11.800 1.00 0.00 H new ATOM 0 HG SER B 37 21.019 7.232 -13.402 1.00 0.00 H new ATOM 493 N LYS B 38 23.925 8.054 -9.931 1.00 0.00 N ATOM 494 CA LYS B 38 25.359 7.811 -9.858 1.00 0.00 C ATOM 495 C LYS B 38 25.675 6.934 -8.644 1.00 0.00 C ATOM 496 O LYS B 38 26.594 6.114 -8.692 1.00 0.00 O ATOM 497 CB LYS B 38 26.096 9.152 -9.791 1.00 0.00 C ATOM 498 CG LYS B 38 27.608 8.936 -9.678 1.00 0.00 C ATOM 499 CD LYS B 38 28.325 10.291 -9.690 1.00 0.00 C ATOM 500 CE LYS B 38 29.830 10.100 -9.506 1.00 0.00 C ATOM 501 NZ LYS B 38 30.411 9.300 -10.603 1.00 0.00 N ATOM 0 H LYS B 38 23.647 9.011 -9.712 1.00 0.00 H new ATOM 0 HA LYS B 38 25.695 7.280 -10.748 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.874 9.739 -10.682 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.741 9.725 -8.934 1.00 0.00 H new ATOM 0 HG2 LYS B 38 27.841 8.399 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.960 8.320 -10.505 1.00 0.00 H new ATOM 0 HD2 LYS B 38 28.130 10.804 -10.631 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.933 10.924 -8.894 1.00 0.00 H new ATOM 0 HE2 LYS B 38 30.319 11.073 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS B 38 30.022 9.607 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 31.448 9.372 -10.573 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 30.129 8.305 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 30.065 9.659 -11.516 1.00 0.00 H new ATOM 515 N TYR B 39 24.918 7.106 -7.556 1.00 0.00 N ATOM 516 CA TYR B 39 25.075 6.291 -6.352 1.00 0.00 C ATOM 517 C TYR B 39 24.393 4.921 -6.369 1.00 0.00 C ATOM 518 O TYR B 39 24.713 4.075 -5.534 1.00 0.00 O ATOM 519 CB TYR B 39 24.712 7.092 -5.100 1.00 0.00 C ATOM 520 CG TYR B 39 25.853 7.926 -4.570 1.00 0.00 C ATOM 521 CD1 TYR B 39 26.012 9.260 -4.972 1.00 0.00 C ATOM 522 CD2 TYR B 39 26.753 7.353 -3.661 1.00 0.00 C ATOM 523 CE1 TYR B 39 27.080 10.021 -4.473 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.819 8.108 -3.155 1.00 0.00 C ATOM 525 CZ TYR B 39 27.987 9.446 -3.563 1.00 0.00 C ATOM 526 OH TYR B 39 29.028 10.182 -3.078 1.00 0.00 O ATOM 0 H TYR B 39 24.184 7.811 -7.487 1.00 0.00 H new ATOM 0 HA TYR B 39 26.136 6.042 -6.330 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.869 7.745 -5.327 1.00 0.00 H new ATOM 0 HB3 TYR B 39 24.382 6.405 -4.321 1.00 0.00 H new ATOM 0 HD1 TYR B 39 25.312 9.702 -5.666 1.00 0.00 H new ATOM 0 HD2 TYR B 39 26.624 6.327 -3.350 1.00 0.00 H new ATOM 0 HE1 TYR B 39 27.206 11.047 -4.787 1.00 0.00 H new ATOM 0 HE2 TYR B 39 28.511 7.665 -2.454 1.00 0.00 H new ATOM 0 HH TYR B 39 29.557 9.634 -2.461 1.00 0.00 H new ATOM 536 N GLY B 40 23.462 4.680 -7.299 1.00 0.00 N ATOM 537 CA GLY B 40 22.785 3.391 -7.360 1.00 0.00 C ATOM 538 C GLY B 40 21.670 3.364 -8.399 1.00 0.00 C ATOM 539 O GLY B 40 21.412 4.358 -9.074 1.00 0.00 O ATOM 0 H GLY B 40 23.167 5.352 -8.007 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.512 2.613 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.369 3.156 -6.380 1.00 0.00 H new ATOM 543 N ALA B 41 21.011 2.209 -8.527 1.00 0.00 N ATOM 544 CA ALA B 41 19.944 2.009 -9.495 1.00 0.00 C ATOM 545 C ALA B 41 18.606 2.512 -8.956 1.00 0.00 C ATOM 546 O ALA B 41 17.823 1.737 -8.412 1.00 0.00 O ATOM 547 CB ALA B 41 19.866 0.523 -9.844 1.00 0.00 C ATOM 0 H ALA B 41 21.208 1.387 -7.957 1.00 0.00 H new ATOM 0 HA ALA B 41 20.164 2.584 -10.394 1.00 0.00 H new ATOM 0 HB1 ALA B 41 19.069 0.361 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.816 0.199 -10.270 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.658 -0.052 -8.942 1.00 0.00 H new ATOM 553 N ILE B 42 18.345 3.814 -9.109 1.00 0.00 N ATOM 554 CA ILE B 42 17.061 4.398 -8.746 1.00 0.00 C ATOM 555 C ILE B 42 15.998 3.988 -9.762 1.00 0.00 C ATOM 556 O ILE B 42 16.305 3.768 -10.932 1.00 0.00 O ATOM 557 CB ILE B 42 17.192 5.926 -8.653 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.762 6.336 -7.290 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.833 6.624 -8.804 1.00 0.00 C ATOM 560 CD1 ILE B 42 19.153 5.755 -7.065 1.00 0.00 C ATOM 0 H ILE B 42 19.016 4.484 -9.485 1.00 0.00 H new ATOM 0 HA ILE B 42 16.752 4.026 -7.769 1.00 0.00 H new ATOM 0 HB ILE B 42 17.856 6.228 -9.463 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.807 7.423 -7.226 1.00 0.00 H new ATOM 0 HG13 ILE B 42 17.093 5.997 -6.499 1.00 0.00 H new ATOM 0 HG21 ILE B 42 15.968 7.703 -8.732 1.00 0.00 H new ATOM 0 HG22 ILE B 42 15.402 6.376 -9.774 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.162 6.289 -8.013 1.00 0.00 H new ATOM 0 HD11 ILE B 42 19.524 6.067 -6.089 1.00 0.00 H new ATOM 0 HD12 ILE B 42 19.103 4.667 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE B 42 19.828 6.115 -7.842 1.00 0.00 H new ATOM 572 N ARG B 43 14.744 3.893 -9.315 1.00 0.00 N ATOM 573 CA ARG B 43 13.620 3.580 -10.187 1.00 0.00 C ATOM 574 C ARG B 43 12.482 4.587 -10.036 1.00 0.00 C ATOM 575 O ARG B 43 11.710 4.765 -10.974 1.00 0.00 O ATOM 576 CB ARG B 43 13.125 2.160 -9.894 1.00 0.00 C ATOM 577 CG ARG B 43 14.168 1.107 -10.280 1.00 0.00 C ATOM 578 CD ARG B 43 14.402 1.105 -11.792 1.00 0.00 C ATOM 579 NE ARG B 43 15.321 0.034 -12.182 1.00 0.00 N ATOM 580 CZ ARG B 43 16.616 0.222 -12.461 1.00 0.00 C ATOM 581 NH1 ARG B 43 17.165 1.426 -12.357 1.00 0.00 N ATOM 582 NH2 ARG B 43 17.361 -0.807 -12.849 1.00 0.00 N ATOM 0 H ARG B 43 14.484 4.031 -8.339 1.00 0.00 H new ATOM 0 HA ARG B 43 13.965 3.641 -11.219 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.890 2.068 -8.834 1.00 0.00 H new ATOM 0 HB3 ARG B 43 12.201 1.976 -10.443 1.00 0.00 H new ATOM 0 HG2 ARG B 43 15.106 1.310 -9.762 1.00 0.00 H new ATOM 0 HG3 ARG B 43 13.833 0.121 -9.958 1.00 0.00 H new ATOM 0 HD2 ARG B 43 13.451 0.979 -12.310 1.00 0.00 H new ATOM 0 HD3 ARG B 43 14.809 2.068 -12.101 1.00 0.00 H new ATOM 0 HE ARG B 43 14.951 -0.914 -12.245 1.00 0.00 H new ATOM 0 HH11 ARG B 43 16.598 2.221 -12.061 1.00 0.00 H new ATOM 0 HH12 ARG B 43 18.153 1.556 -12.573 1.00 0.00 H new ATOM 0 HH21 ARG B 43 16.945 -1.735 -12.933 1.00 0.00 H new ATOM 0 HH22 ARG B 43 18.349 -0.669 -13.063 1.00 0.00 H new ATOM 596 N ASP B 44 12.377 5.241 -8.875 1.00 0.00 N ATOM 597 CA ASP B 44 11.341 6.248 -8.638 1.00 0.00 C ATOM 598 C ASP B 44 11.739 7.344 -7.653 1.00 0.00 C ATOM 599 O ASP B 44 12.676 7.182 -6.875 1.00 0.00 O ATOM 600 CB ASP B 44 10.020 5.583 -8.226 1.00 0.00 C ATOM 601 CG ASP B 44 9.192 5.120 -9.424 1.00 0.00 C ATOM 602 OD1 ASP B 44 9.146 5.870 -10.425 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.612 4.017 -9.327 1.00 0.00 O ATOM 0 H ASP B 44 13.000 5.089 -8.082 1.00 0.00 H new ATOM 0 HA ASP B 44 11.204 6.759 -9.591 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.233 4.728 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP B 44 9.433 6.286 -7.634 1.00 0.00 H new ATOM 608 N ILE B 45 11.006 8.460 -7.700 1.00 0.00 N ATOM 609 CA ILE B 45 11.220 9.620 -6.843 1.00 0.00 C ATOM 610 C ILE B 45 9.883 10.068 -6.258 1.00 0.00 C ATOM 611 O ILE B 45 8.827 9.794 -6.826 1.00 0.00 O ATOM 612 CB ILE B 45 11.854 10.762 -7.663 1.00 0.00 C ATOM 613 CG1 ILE B 45 13.285 10.428 -8.097 1.00 0.00 C ATOM 614 CG2 ILE B 45 11.870 12.079 -6.884 1.00 0.00 C ATOM 615 CD1 ILE B 45 14.233 10.214 -6.916 1.00 0.00 C ATOM 0 H ILE B 45 10.230 8.581 -8.351 1.00 0.00 H new ATOM 0 HA ILE B 45 11.896 9.357 -6.029 1.00 0.00 H new ATOM 0 HB ILE B 45 11.230 10.876 -8.549 1.00 0.00 H new ATOM 0 HG12 ILE B 45 13.272 9.529 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE B 45 13.667 11.236 -8.721 1.00 0.00 H new ATOM 0 HG21 ILE B 45 12.324 12.858 -7.496 1.00 0.00 H new ATOM 0 HG22 ILE B 45 10.849 12.365 -6.632 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.448 11.953 -5.969 1.00 0.00 H new ATOM 0 HD11 ILE B 45 15.231 9.981 -7.288 1.00 0.00 H new ATOM 0 HD12 ILE B 45 14.273 11.121 -6.313 1.00 0.00 H new ATOM 0 HD13 ILE B 45 13.871 9.387 -6.304 1.00 0.00 H new ATOM 627 N ASP B 46 9.931 10.766 -5.119 1.00 0.00 N ATOM 628 CA ASP B 46 8.747 11.340 -4.504 1.00 0.00 C ATOM 629 C ASP B 46 9.107 12.692 -3.886 1.00 0.00 C ATOM 630 O ASP B 46 8.889 12.923 -2.696 1.00 0.00 O ATOM 631 CB ASP B 46 8.192 10.367 -3.463 1.00 0.00 C ATOM 632 CG ASP B 46 6.870 10.854 -2.877 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.247 11.741 -3.501 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.498 10.326 -1.806 1.00 0.00 O ATOM 0 H ASP B 46 10.793 10.944 -4.604 1.00 0.00 H new ATOM 0 HA ASP B 46 7.971 11.507 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.047 9.389 -3.921 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.919 10.239 -2.661 1.00 0.00 H new ATOM 639 N LEU B 47 9.669 13.589 -4.705 1.00 0.00 N ATOM 640 CA LEU B 47 9.952 14.953 -4.277 1.00 0.00 C ATOM 641 C LEU B 47 8.677 15.620 -3.760 1.00 0.00 C ATOM 642 O LEU B 47 7.631 15.543 -4.399 1.00 0.00 O ATOM 643 CB LEU B 47 10.558 15.733 -5.449 1.00 0.00 C ATOM 644 CG LEU B 47 10.745 17.220 -5.122 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.738 17.404 -3.971 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.280 17.943 -6.355 1.00 0.00 C ATOM 0 H LEU B 47 9.935 13.388 -5.669 1.00 0.00 H new ATOM 0 HA LEU B 47 10.671 14.943 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.521 15.297 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU B 47 9.913 15.633 -6.322 1.00 0.00 H new ATOM 0 HG LEU B 47 9.781 17.633 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.854 18.466 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.364 16.894 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.703 16.983 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.414 19.000 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.237 17.510 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU B 47 10.571 17.836 -7.176 1.00 0.00 H new ATOM 658 N LYS B 48 8.774 16.276 -2.599 1.00 0.00 N ATOM 659 CA LYS B 48 7.651 16.920 -1.940 1.00 0.00 C ATOM 660 C LYS B 48 8.013 18.321 -1.467 1.00 0.00 C ATOM 661 O LYS B 48 9.188 18.645 -1.286 1.00 0.00 O ATOM 662 CB LYS B 48 7.221 16.062 -0.755 1.00 0.00 C ATOM 663 CG LYS B 48 6.336 14.897 -1.200 1.00 0.00 C ATOM 664 CD LYS B 48 6.042 14.005 0.006 1.00 0.00 C ATOM 665 CE LYS B 48 5.112 12.856 -0.384 1.00 0.00 C ATOM 666 NZ LYS B 48 3.798 13.359 -0.834 1.00 0.00 N ATOM 0 H LYS B 48 9.652 16.372 -2.089 1.00 0.00 H new ATOM 0 HA LYS B 48 6.832 17.016 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS B 48 8.103 15.676 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.680 16.677 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.406 15.273 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.835 14.322 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.974 13.605 0.404 1.00 0.00 H new ATOM 0 HD3 LYS B 48 5.584 14.597 0.799 1.00 0.00 H new ATOM 0 HE2 LYS B 48 5.570 12.268 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.977 12.190 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 3.105 12.584 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.482 14.121 -0.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 3.880 13.727 -1.803 1.00 0.00 H new ATOM 680 N ASN B 49 6.989 19.151 -1.263 1.00 0.00 N ATOM 681 CA ASN B 49 7.145 20.512 -0.764 1.00 0.00 C ATOM 682 C ASN B 49 5.965 20.898 0.135 1.00 0.00 C ATOM 683 O ASN B 49 5.800 22.066 0.483 1.00 0.00 O ATOM 684 CB ASN B 49 7.299 21.479 -1.947 1.00 0.00 C ATOM 685 CG ASN B 49 6.144 21.382 -2.936 1.00 0.00 C ATOM 686 OD1 ASN B 49 5.109 20.783 -2.648 1.00 0.00 O ATOM 687 ND2 ASN B 49 6.315 21.971 -4.116 1.00 0.00 N ATOM 0 H ASN B 49 6.019 18.891 -1.442 1.00 0.00 H new ATOM 0 HA ASN B 49 8.046 20.572 -0.154 1.00 0.00 H new ATOM 0 HB2 ASN B 49 7.366 22.500 -1.571 1.00 0.00 H new ATOM 0 HB3 ASN B 49 8.235 21.268 -2.465 1.00 0.00 H new ATOM 0 HD21 ASN B 49 5.574 21.935 -4.816 1.00 0.00 H new ATOM 0 HD22 ASN B 49 7.187 22.459 -4.321 1.00 0.00 H new ATOM 770 N PRO B 55 11.744 21.611 2.030 1.00 0.00 N ATOM 771 CA PRO B 55 11.253 20.530 1.197 1.00 0.00 C ATOM 772 C PRO B 55 11.987 19.234 1.529 1.00 0.00 C ATOM 773 O PRO B 55 13.072 19.260 2.114 1.00 0.00 O ATOM 774 CB PRO B 55 11.507 20.969 -0.244 1.00 0.00 C ATOM 775 CG PRO B 55 12.634 21.997 -0.134 1.00 0.00 C ATOM 776 CD PRO B 55 12.431 22.621 1.249 1.00 0.00 C ATOM 0 HA PRO B 55 10.193 20.333 1.360 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.798 20.126 -0.871 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.613 21.405 -0.690 1.00 0.00 H new ATOM 0 HG2 PRO B 55 13.613 21.526 -0.220 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.570 22.746 -0.923 1.00 0.00 H new ATOM 0 HD2 PRO B 55 13.385 22.888 1.704 1.00 0.00 H new ATOM 0 HD3 PRO B 55 11.842 23.536 1.185 1.00 0.00 H new ATOM 784 N PHE B 56 11.395 18.096 1.161 1.00 0.00 N ATOM 785 CA PHE B 56 11.951 16.789 1.480 1.00 0.00 C ATOM 786 C PHE B 56 11.450 15.832 0.401 1.00 0.00 C ATOM 787 O PHE B 56 10.599 16.192 -0.412 1.00 0.00 O ATOM 788 CB PHE B 56 11.448 16.368 2.866 1.00 0.00 C ATOM 789 CG PHE B 56 10.037 15.817 2.909 1.00 0.00 C ATOM 790 CD1 PHE B 56 8.933 16.645 2.659 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.836 14.466 3.225 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.633 16.121 2.738 1.00 0.00 C ATOM 793 CE2 PHE B 56 8.538 13.951 3.340 1.00 0.00 C ATOM 794 CZ PHE B 56 7.434 14.778 3.083 1.00 0.00 C ATOM 0 H PHE B 56 10.521 18.059 0.636 1.00 0.00 H new ATOM 0 HA PHE B 56 13.041 16.793 1.503 1.00 0.00 H new ATOM 0 HB2 PHE B 56 12.126 15.614 3.266 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.503 17.230 3.530 1.00 0.00 H new ATOM 0 HD1 PHE B 56 9.083 17.684 2.406 1.00 0.00 H new ATOM 0 HD2 PHE B 56 10.686 13.819 3.381 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.784 16.755 2.532 1.00 0.00 H new ATOM 0 HE2 PHE B 56 8.388 12.920 3.626 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.432 14.380 3.151 1.00 0.00 H new ATOM 804 N ALA B 57 11.975 14.605 0.385 1.00 0.00 N ATOM 805 CA ALA B 57 11.661 13.664 -0.674 1.00 0.00 C ATOM 806 C ALA B 57 11.945 12.228 -0.244 1.00 0.00 C ATOM 807 O ALA B 57 12.481 11.979 0.836 1.00 0.00 O ATOM 808 CB ALA B 57 12.520 14.013 -1.888 1.00 0.00 C ATOM 0 H ALA B 57 12.616 14.248 1.093 1.00 0.00 H new ATOM 0 HA ALA B 57 10.600 13.735 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.302 13.319 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.297 15.030 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.574 13.940 -1.621 1.00 0.00 H new ATOM 814 N PHE B 58 11.582 11.283 -1.112 1.00 0.00 N ATOM 815 CA PHE B 58 11.925 9.882 -0.946 1.00 0.00 C ATOM 816 C PHE B 58 12.490 9.352 -2.255 1.00 0.00 C ATOM 817 O PHE B 58 12.202 9.895 -3.324 1.00 0.00 O ATOM 818 CB PHE B 58 10.699 9.078 -0.515 1.00 0.00 C ATOM 819 CG PHE B 58 10.097 9.543 0.787 1.00 0.00 C ATOM 820 CD1 PHE B 58 10.581 9.038 2.001 1.00 0.00 C ATOM 821 CD2 PHE B 58 9.047 10.472 0.785 1.00 0.00 C ATOM 822 CE1 PHE B 58 10.023 9.467 3.213 1.00 0.00 C ATOM 823 CE2 PHE B 58 8.494 10.905 1.995 1.00 0.00 C ATOM 824 CZ PHE B 58 8.981 10.403 3.210 1.00 0.00 C ATOM 0 H PHE B 58 11.038 11.476 -1.953 1.00 0.00 H new ATOM 0 HA PHE B 58 12.678 9.780 -0.164 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.942 9.139 -1.297 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.978 8.028 -0.422 1.00 0.00 H new ATOM 0 HD1 PHE B 58 11.385 8.317 2.003 1.00 0.00 H new ATOM 0 HD2 PHE B 58 8.665 10.853 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.396 9.076 4.148 1.00 0.00 H new ATOM 0 HE2 PHE B 58 7.691 11.627 1.993 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.553 10.738 4.143 1.00 0.00 H new ATOM 834 N VAL B 59 13.291 8.291 -2.172 1.00 0.00 N ATOM 835 CA VAL B 59 13.929 7.704 -3.336 1.00 0.00 C ATOM 836 C VAL B 59 13.741 6.192 -3.296 1.00 0.00 C ATOM 837 O VAL B 59 13.937 5.578 -2.250 1.00 0.00 O ATOM 838 CB VAL B 59 15.415 8.080 -3.351 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.095 7.458 -4.568 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.591 9.599 -3.403 1.00 0.00 C ATOM 0 H VAL B 59 13.512 7.819 -1.295 1.00 0.00 H new ATOM 0 HA VAL B 59 13.475 8.086 -4.250 1.00 0.00 H new ATOM 0 HB VAL B 59 15.870 7.701 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.151 7.729 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL B 59 15.999 6.373 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.621 7.827 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.654 9.842 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL B 59 15.121 9.989 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL B 59 15.124 10.050 -2.527 1.00 0.00 H new ATOM 850 N GLU B 60 13.361 5.599 -4.429 1.00 0.00 N ATOM 851 CA GLU B 60 13.103 4.169 -4.514 1.00 0.00 C ATOM 852 C GLU B 60 14.165 3.484 -5.360 1.00 0.00 C ATOM 853 O GLU B 60 14.376 3.857 -6.519 1.00 0.00 O ATOM 854 CB GLU B 60 11.698 3.951 -5.067 1.00 0.00 C ATOM 855 CG GLU B 60 11.460 2.476 -5.405 1.00 0.00 C ATOM 856 CD GLU B 60 10.039 2.247 -5.924 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.205 3.166 -5.753 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.804 1.156 -6.487 1.00 0.00 O ATOM 0 H GLU B 60 13.225 6.098 -5.308 1.00 0.00 H new ATOM 0 HA GLU B 60 13.155 3.720 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU B 60 10.961 4.283 -4.336 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.557 4.559 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.180 2.152 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU B 60 11.628 1.866 -4.518 1.00 0.00 H new ATOM 865 N PHE B 61 14.822 2.484 -4.772 1.00 0.00 N ATOM 866 CA PHE B 61 15.875 1.717 -5.426 1.00 0.00 C ATOM 867 C PHE B 61 15.406 0.393 -6.027 1.00 0.00 C ATOM 868 O PHE B 61 14.417 -0.180 -5.574 1.00 0.00 O ATOM 869 CB PHE B 61 17.049 1.498 -4.468 1.00 0.00 C ATOM 870 CG PHE B 61 17.897 2.726 -4.226 1.00 0.00 C ATOM 871 CD1 PHE B 61 19.200 2.792 -4.742 1.00 0.00 C ATOM 872 CD2 PHE B 61 17.387 3.794 -3.477 1.00 0.00 C ATOM 873 CE1 PHE B 61 19.987 3.929 -4.507 1.00 0.00 C ATOM 874 CE2 PHE B 61 18.174 4.928 -3.244 1.00 0.00 C ATOM 875 CZ PHE B 61 19.476 4.995 -3.758 1.00 0.00 C ATOM 0 H PHE B 61 14.633 2.182 -3.816 1.00 0.00 H new ATOM 0 HA PHE B 61 16.202 2.319 -6.274 1.00 0.00 H new ATOM 0 HB2 PHE B 61 16.661 1.146 -3.512 1.00 0.00 H new ATOM 0 HB3 PHE B 61 17.684 0.706 -4.866 1.00 0.00 H new ATOM 0 HD1 PHE B 61 19.596 1.969 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE B 61 16.385 3.743 -3.078 1.00 0.00 H new ATOM 0 HE1 PHE B 61 20.990 3.982 -4.905 1.00 0.00 H new ATOM 0 HE2 PHE B 61 17.778 5.751 -2.668 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.085 5.869 -3.576 1.00 0.00 H new ATOM 885 N GLU B 62 16.125 -0.099 -7.041 1.00 0.00 N ATOM 886 CA GLU B 62 15.913 -1.436 -7.578 1.00 0.00 C ATOM 887 C GLU B 62 16.572 -2.475 -6.663 1.00 0.00 C ATOM 888 O GLU B 62 16.181 -3.641 -6.657 1.00 0.00 O ATOM 889 CB GLU B 62 16.510 -1.495 -8.989 1.00 0.00 C ATOM 890 CG GLU B 62 16.478 -2.904 -9.598 1.00 0.00 C ATOM 891 CD GLU B 62 15.058 -3.434 -9.813 1.00 0.00 C ATOM 892 OE1 GLU B 62 14.944 -4.615 -10.217 1.00 0.00 O ATOM 893 OE2 GLU B 62 14.099 -2.663 -9.581 1.00 0.00 O ATOM 0 H GLU B 62 16.868 0.422 -7.508 1.00 0.00 H new ATOM 0 HA GLU B 62 14.847 -1.659 -7.628 1.00 0.00 H new ATOM 0 HB2 GLU B 62 15.961 -0.813 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.541 -1.143 -8.956 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.003 -2.892 -10.553 1.00 0.00 H new ATOM 0 HG3 GLU B 62 17.019 -3.588 -8.945 1.00 0.00 H new ATOM 900 N ASP B 63 17.573 -2.042 -5.894 1.00 0.00 N ATOM 901 CA ASP B 63 18.316 -2.908 -4.994 1.00 0.00 C ATOM 902 C ASP B 63 18.868 -2.087 -3.821 1.00 0.00 C ATOM 903 O ASP B 63 19.656 -1.166 -4.035 1.00 0.00 O ATOM 904 CB ASP B 63 19.431 -3.603 -5.789 1.00 0.00 C ATOM 905 CG ASP B 63 20.377 -4.429 -4.921 1.00 0.00 C ATOM 906 OD1 ASP B 63 21.379 -4.920 -5.488 1.00 0.00 O ATOM 907 OD2 ASP B 63 20.102 -4.567 -3.711 1.00 0.00 O ATOM 0 H ASP B 63 17.888 -1.072 -5.883 1.00 0.00 H new ATOM 0 HA ASP B 63 17.666 -3.675 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP B 63 18.980 -4.252 -6.540 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.008 -2.849 -6.325 1.00 0.00 H new ATOM 912 N PRO B 64 18.465 -2.406 -2.582 1.00 0.00 N ATOM 913 CA PRO B 64 18.850 -1.652 -1.402 1.00 0.00 C ATOM 914 C PRO B 64 20.350 -1.757 -1.102 1.00 0.00 C ATOM 915 O PRO B 64 20.847 -1.051 -0.225 1.00 0.00 O ATOM 916 CB PRO B 64 18.019 -2.231 -0.255 1.00 0.00 C ATOM 917 CG PRO B 64 17.668 -3.645 -0.725 1.00 0.00 C ATOM 918 CD PRO B 64 17.591 -3.512 -2.241 1.00 0.00 C ATOM 0 HA PRO B 64 18.663 -0.588 -1.548 1.00 0.00 H new ATOM 0 HB2 PRO B 64 18.584 -2.249 0.677 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.123 -1.638 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO B 64 18.427 -4.367 -0.424 1.00 0.00 H new ATOM 0 HG3 PRO B 64 16.721 -3.984 -0.304 1.00 0.00 H new ATOM 0 HD2 PRO B 64 17.912 -4.431 -2.732 1.00 0.00 H new ATOM 0 HD3 PRO B 64 16.569 -3.318 -2.566 1.00 0.00 H new ATOM 926 N ARG B 65 21.076 -2.623 -1.816 1.00 0.00 N ATOM 927 CA ARG B 65 22.516 -2.751 -1.646 1.00 0.00 C ATOM 928 C ARG B 65 23.207 -1.434 -1.996 1.00 0.00 C ATOM 929 O ARG B 65 24.199 -1.066 -1.368 1.00 0.00 O ATOM 930 CB ARG B 65 23.023 -3.880 -2.544 1.00 0.00 C ATOM 931 CG ARG B 65 24.549 -3.984 -2.488 1.00 0.00 C ATOM 932 CD ARG B 65 25.013 -5.065 -3.461 1.00 0.00 C ATOM 933 NE ARG B 65 26.479 -5.166 -3.494 1.00 0.00 N ATOM 934 CZ ARG B 65 27.269 -4.308 -4.147 1.00 0.00 C ATOM 935 NH1 ARG B 65 26.759 -3.274 -4.809 1.00 0.00 N ATOM 936 NH2 ARG B 65 28.587 -4.490 -4.134 1.00 0.00 N ATOM 0 H ARG B 65 20.681 -3.247 -2.520 1.00 0.00 H new ATOM 0 HA ARG B 65 22.745 -2.987 -0.607 1.00 0.00 H new ATOM 0 HB2 ARG B 65 22.579 -4.825 -2.231 1.00 0.00 H new ATOM 0 HB3 ARG B 65 22.705 -3.703 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG B 65 25.001 -3.026 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG B 65 24.872 -4.226 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG B 65 24.587 -6.025 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG B 65 24.640 -4.841 -4.460 1.00 0.00 H new ATOM 0 HE ARG B 65 26.919 -5.935 -2.989 1.00 0.00 H new ATOM 0 HH11 ARG B 65 25.750 -3.126 -4.824 1.00 0.00 H new ATOM 0 HH12 ARG B 65 27.377 -2.629 -5.302 1.00 0.00 H new ATOM 0 HH21 ARG B 65 28.988 -5.280 -3.628 1.00 0.00 H new ATOM 0 HH22 ARG B 65 29.197 -3.840 -4.630 1.00 0.00 H new ATOM 950 N ASP B 66 22.685 -0.727 -3.002 1.00 0.00 N ATOM 951 CA ASP B 66 23.267 0.527 -3.454 1.00 0.00 C ATOM 952 C ASP B 66 22.679 1.722 -2.704 1.00 0.00 C ATOM 953 O ASP B 66 23.245 2.816 -2.726 1.00 0.00 O ATOM 954 CB ASP B 66 23.050 0.673 -4.962 1.00 0.00 C ATOM 955 CG ASP B 66 23.740 -0.431 -5.769 1.00 0.00 C ATOM 956 OD1 ASP B 66 24.454 -1.254 -5.154 1.00 0.00 O ATOM 957 OD2 ASP B 66 23.538 -0.434 -7.004 1.00 0.00 O ATOM 0 H ASP B 66 21.853 -1.010 -3.519 1.00 0.00 H new ATOM 0 HA ASP B 66 24.336 0.510 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP B 66 21.981 0.658 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP B 66 23.426 1.643 -5.287 1.00 0.00 H new ATOM 962 N ALA B 67 21.539 1.518 -2.033 1.00 0.00 N ATOM 963 CA ALA B 67 20.896 2.583 -1.284 1.00 0.00 C ATOM 964 C ALA B 67 21.739 2.952 -0.064 1.00 0.00 C ATOM 965 O ALA B 67 21.655 4.073 0.429 1.00 0.00 O ATOM 966 CB ALA B 67 19.500 2.124 -0.865 1.00 0.00 C ATOM 0 H ALA B 67 21.050 0.623 -1.999 1.00 0.00 H new ATOM 0 HA ALA B 67 20.805 3.472 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA B 67 19.010 2.918 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.911 1.892 -1.753 1.00 0.00 H new ATOM 0 HB3 ALA B 67 19.582 1.234 -0.241 1.00 0.00 H new ATOM 972 N GLU B 68 22.551 2.010 0.425 1.00 0.00 N ATOM 973 CA GLU B 68 23.437 2.257 1.553 1.00 0.00 C ATOM 974 C GLU B 68 24.589 3.167 1.132 1.00 0.00 C ATOM 975 O GLU B 68 25.124 3.911 1.952 1.00 0.00 O ATOM 976 CB GLU B 68 23.948 0.916 2.078 1.00 0.00 C ATOM 977 CG GLU B 68 24.918 1.120 3.246 1.00 0.00 C ATOM 978 CD GLU B 68 25.353 -0.212 3.864 1.00 0.00 C ATOM 979 OE1 GLU B 68 24.823 -1.262 3.435 1.00 0.00 O ATOM 980 OE2 GLU B 68 26.218 -0.163 4.767 1.00 0.00 O ATOM 0 H GLU B 68 22.609 1.063 0.049 1.00 0.00 H new ATOM 0 HA GLU B 68 22.896 2.766 2.350 1.00 0.00 H new ATOM 0 HB2 GLU B 68 23.107 0.303 2.402 1.00 0.00 H new ATOM 0 HB3 GLU B 68 24.448 0.373 1.276 1.00 0.00 H new ATOM 0 HG2 GLU B 68 25.797 1.663 2.898 1.00 0.00 H new ATOM 0 HG3 GLU B 68 24.443 1.737 4.009 1.00 0.00 H new ATOM 987 N ASP B 69 24.969 3.113 -0.148 1.00 0.00 N ATOM 988 CA ASP B 69 26.036 3.952 -0.670 1.00 0.00 C ATOM 989 C ASP B 69 25.588 5.397 -0.860 1.00 0.00 C ATOM 990 O ASP B 69 26.370 6.320 -0.650 1.00 0.00 O ATOM 991 CB ASP B 69 26.566 3.365 -1.981 1.00 0.00 C ATOM 992 CG ASP B 69 27.331 2.058 -1.767 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.758 1.479 -2.790 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.486 1.647 -0.594 1.00 0.00 O ATOM 0 H ASP B 69 24.548 2.492 -0.839 1.00 0.00 H new ATOM 0 HA ASP B 69 26.841 3.967 0.065 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.732 3.188 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP B 69 27.221 4.091 -2.463 1.00 0.00 H new ATOM 999 N ALA B 70 24.326 5.592 -1.254 1.00 0.00 N ATOM 1000 CA ALA B 70 23.764 6.922 -1.415 1.00 0.00 C ATOM 1001 C ALA B 70 23.584 7.589 -0.053 1.00 0.00 C ATOM 1002 O ALA B 70 23.664 8.812 0.058 1.00 0.00 O ATOM 1003 CB ALA B 70 22.414 6.810 -2.131 1.00 0.00 C ATOM 0 H ALA B 70 23.676 4.835 -1.467 1.00 0.00 H new ATOM 0 HA ALA B 70 24.443 7.534 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.985 7.804 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.558 6.351 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.737 6.195 -1.538 1.00 0.00 H new ATOM 1009 N VAL B 71 23.346 6.783 0.986 1.00 0.00 N ATOM 1010 CA VAL B 71 23.190 7.287 2.343 1.00 0.00 C ATOM 1011 C VAL B 71 24.576 7.625 2.904 1.00 0.00 C ATOM 1012 O VAL B 71 24.709 8.526 3.732 1.00 0.00 O ATOM 1013 CB VAL B 71 22.505 6.206 3.189 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.673 6.467 4.687 1.00 0.00 C ATOM 1015 CG2 VAL B 71 21.011 6.170 2.866 1.00 0.00 C ATOM 0 H VAL B 71 23.257 5.770 0.906 1.00 0.00 H new ATOM 0 HA VAL B 71 22.577 8.188 2.359 1.00 0.00 H new ATOM 0 HB VAL B 71 22.976 5.253 2.947 1.00 0.00 H new ATOM 0 HG11 VAL B 71 22.174 5.680 5.252 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.734 6.477 4.938 1.00 0.00 H new ATOM 0 HG13 VAL B 71 22.231 7.431 4.940 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.527 5.401 3.468 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.567 7.140 3.090 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.873 5.943 1.809 1.00 0.00 H new ATOM 1025 N SER B 72 25.609 6.907 2.454 1.00 0.00 N ATOM 1026 CA SER B 72 26.972 7.117 2.920 1.00 0.00 C ATOM 1027 C SER B 72 27.673 8.223 2.127 1.00 0.00 C ATOM 1028 O SER B 72 28.739 8.690 2.524 1.00 0.00 O ATOM 1029 CB SER B 72 27.739 5.798 2.804 1.00 0.00 C ATOM 1030 OG SER B 72 29.062 5.951 3.274 1.00 0.00 O ATOM 0 H SER B 72 25.519 6.167 1.758 1.00 0.00 H new ATOM 0 HA SER B 72 26.946 7.440 3.961 1.00 0.00 H new ATOM 0 HB2 SER B 72 27.230 5.023 3.378 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.752 5.468 1.765 1.00 0.00 H new ATOM 0 HG SER B 72 29.393 6.842 3.036 1.00 0.00 H new ATOM 1036 N GLY B 73 27.082 8.647 1.006 1.00 0.00 N ATOM 1037 CA GLY B 73 27.699 9.624 0.120 1.00 0.00 C ATOM 1038 C GLY B 73 27.770 11.005 0.768 1.00 0.00 C ATOM 1039 O GLY B 73 28.811 11.663 0.718 1.00 0.00 O ATOM 0 H GLY B 73 26.167 8.321 0.693 1.00 0.00 H new ATOM 0 HA2 GLY B 73 28.704 9.293 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY B 73 27.130 9.686 -0.807 1.00 0.00 H new ATOM 1043 N ARG B 74 26.664 11.444 1.381 1.00 0.00 N ATOM 1044 CA ARG B 74 26.600 12.723 2.071 1.00 0.00 C ATOM 1045 C ARG B 74 25.388 12.746 2.997 1.00 0.00 C ATOM 1046 O ARG B 74 24.261 12.561 2.540 1.00 0.00 O ATOM 1047 CB ARG B 74 26.512 13.849 1.030 1.00 0.00 C ATOM 1048 CG ARG B 74 26.512 15.226 1.702 1.00 0.00 C ATOM 1049 CD ARG B 74 26.512 16.304 0.618 1.00 0.00 C ATOM 1050 NE ARG B 74 26.615 17.648 1.198 1.00 0.00 N ATOM 1051 CZ ARG B 74 25.849 18.682 0.838 1.00 0.00 C ATOM 1052 NH1 ARG B 74 24.907 18.541 -0.093 1.00 0.00 N ATOM 1053 NH2 ARG B 74 26.029 19.867 1.411 1.00 0.00 N ATOM 0 H ARG B 74 25.791 10.917 1.408 1.00 0.00 H new ATOM 0 HA ARG B 74 27.496 12.868 2.675 1.00 0.00 H new ATOM 0 HB2 ARG B 74 27.354 13.778 0.341 1.00 0.00 H new ATOM 0 HB3 ARG B 74 25.605 13.730 0.438 1.00 0.00 H new ATOM 0 HG2 ARG B 74 25.636 15.334 2.341 1.00 0.00 H new ATOM 0 HG3 ARG B 74 27.388 15.334 2.341 1.00 0.00 H new ATOM 0 HD2 ARG B 74 27.345 16.136 -0.064 1.00 0.00 H new ATOM 0 HD3 ARG B 74 25.598 16.230 0.029 1.00 0.00 H new ATOM 0 HE ARG B 74 27.316 17.803 1.922 1.00 0.00 H new ATOM 0 HH11 ARG B 74 24.764 17.636 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG B 74 24.329 19.338 -0.359 1.00 0.00 H new ATOM 0 HH21 ARG B 74 26.750 19.985 2.123 1.00 0.00 H new ATOM 0 HH22 ARG B 74 25.446 20.659 1.139 1.00 0.00 H new ATOM 1067 N ASP B 75 25.621 12.967 4.291 1.00 0.00 N ATOM 1068 CA ASP B 75 24.549 12.984 5.277 1.00 0.00 C ATOM 1069 C ASP B 75 25.026 13.632 6.579 1.00 0.00 C ATOM 1070 O ASP B 75 26.204 13.544 6.923 1.00 0.00 O ATOM 1071 CB ASP B 75 24.094 11.544 5.543 1.00 0.00 C ATOM 1072 CG ASP B 75 22.967 11.472 6.567 1.00 0.00 C ATOM 1073 OD1 ASP B 75 22.947 10.476 7.323 1.00 0.00 O ATOM 1074 OD2 ASP B 75 22.142 12.410 6.581 1.00 0.00 O ATOM 0 H ASP B 75 26.549 13.137 4.679 1.00 0.00 H new ATOM 0 HA ASP B 75 23.715 13.570 4.891 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.762 11.092 4.608 1.00 0.00 H new ATOM 0 HB3 ASP B 75 24.942 10.957 5.897 1.00 0.00 H new ATOM 1079 N GLY B 76 24.111 14.282 7.302 1.00 0.00 N ATOM 1080 CA GLY B 76 24.357 14.782 8.645 1.00 0.00 C ATOM 1081 C GLY B 76 25.188 16.065 8.658 1.00 0.00 C ATOM 1082 O GLY B 76 26.413 16.007 8.739 1.00 0.00 O ATOM 0 H GLY B 76 23.169 14.475 6.962 1.00 0.00 H new ATOM 0 HA2 GLY B 76 23.403 14.968 9.139 1.00 0.00 H new ATOM 0 HA3 GLY B 76 24.872 14.015 9.224 1.00 0.00 H new ATOM 1086 N TYR B 77 24.501 17.211 8.581 1.00 0.00 N ATOM 1087 CA TYR B 77 25.077 18.532 8.795 1.00 0.00 C ATOM 1088 C TYR B 77 26.207 18.943 7.853 1.00 0.00 C ATOM 1089 O TYR B 77 27.345 18.500 7.998 1.00 0.00 O ATOM 1090 CB TYR B 77 25.400 18.766 10.268 1.00 0.00 C ATOM 1091 CG TYR B 77 26.323 19.942 10.491 1.00 0.00 C ATOM 1092 CD1 TYR B 77 27.533 19.780 11.180 1.00 0.00 C ATOM 1093 CD2 TYR B 77 25.963 21.203 9.990 1.00 0.00 C ATOM 1094 CE1 TYR B 77 28.394 20.875 11.362 1.00 0.00 C ATOM 1095 CE2 TYR B 77 26.820 22.297 10.152 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.039 22.140 10.845 1.00 0.00 C ATOM 1097 OH TYR B 77 28.870 23.208 11.010 1.00 0.00 O ATOM 0 H TYR B 77 23.505 17.240 8.362 1.00 0.00 H new ATOM 0 HA TYR B 77 24.284 19.223 8.507 1.00 0.00 H new ATOM 0 HB2 TYR B 77 24.472 18.930 10.816 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.859 17.868 10.681 1.00 0.00 H new ATOM 0 HD1 TYR B 77 27.804 18.811 11.572 1.00 0.00 H new ATOM 0 HD2 TYR B 77 25.021 21.329 9.477 1.00 0.00 H new ATOM 0 HE1 TYR B 77 29.325 20.750 11.896 1.00 0.00 H new ATOM 0 HE2 TYR B 77 26.549 23.261 9.747 1.00 0.00 H new ATOM 0 HH TYR B 77 28.472 24.000 10.592 1.00 0.00 H new ATOM 1107 N ASP B 78 25.883 19.800 6.881 1.00 0.00 N ATOM 1108 CA ASP B 78 26.850 20.277 5.920 1.00 0.00 C ATOM 1109 C ASP B 78 26.296 21.501 5.194 1.00 0.00 C ATOM 1110 O ASP B 78 26.614 21.734 4.027 1.00 0.00 O ATOM 1111 CB ASP B 78 27.071 19.148 4.927 1.00 0.00 C ATOM 1112 CG ASP B 78 28.364 19.301 4.129 1.00 0.00 C ATOM 1113 OD1 ASP B 78 28.477 18.595 3.102 1.00 0.00 O ATOM 1114 OD2 ASP B 78 29.221 20.115 4.544 1.00 0.00 O ATOM 0 H ASP B 78 24.944 20.175 6.748 1.00 0.00 H new ATOM 0 HA ASP B 78 27.782 20.563 6.407 1.00 0.00 H new ATOM 0 HB2 ASP B 78 27.091 18.199 5.463 1.00 0.00 H new ATOM 0 HB3 ASP B 78 26.228 19.107 4.238 1.00 0.00 H new ATOM 1119 N TYR B 79 25.466 22.284 5.883 1.00 0.00 N ATOM 1120 CA TYR B 79 24.873 23.473 5.304 1.00 0.00 C ATOM 1121 C TYR B 79 25.063 24.619 6.291 1.00 0.00 C ATOM 1122 O TYR B 79 25.603 24.449 7.384 1.00 0.00 O ATOM 1123 CB TYR B 79 23.380 23.235 5.112 1.00 0.00 C ATOM 1124 CG TYR B 79 22.844 23.876 3.860 1.00 0.00 C ATOM 1125 CD1 TYR B 79 22.063 25.034 3.929 1.00 0.00 C ATOM 1126 CD2 TYR B 79 23.143 23.292 2.624 1.00 0.00 C ATOM 1127 CE1 TYR B 79 21.563 25.611 2.755 1.00 0.00 C ATOM 1128 CE2 TYR B 79 22.647 23.859 1.441 1.00 0.00 C ATOM 1129 CZ TYR B 79 21.853 25.025 1.504 1.00 0.00 C ATOM 1130 OH TYR B 79 21.365 25.580 0.359 1.00 0.00 O ATOM 0 H TYR B 79 25.192 22.108 6.850 1.00 0.00 H new ATOM 0 HA TYR B 79 25.337 23.707 4.346 1.00 0.00 H new ATOM 0 HB2 TYR B 79 23.189 22.162 5.076 1.00 0.00 H new ATOM 0 HB3 TYR B 79 22.840 23.626 5.975 1.00 0.00 H new ATOM 0 HD1 TYR B 79 21.846 25.483 4.887 1.00 0.00 H new ATOM 0 HD2 TYR B 79 23.756 22.404 2.581 1.00 0.00 H new ATOM 0 HE1 TYR B 79 20.956 26.503 2.807 1.00 0.00 H new ATOM 0 HE2 TYR B 79 22.871 23.406 0.487 1.00 0.00 H new ATOM 0 HH TYR B 79 21.660 25.052 -0.412 1.00 0.00 H new ATOM 1140 N ASP B 80 24.601 25.796 5.878 1.00 0.00 N ATOM 1141 CA ASP B 80 24.673 27.008 6.674 1.00 0.00 C ATOM 1142 C ASP B 80 23.443 27.157 7.567 1.00 0.00 C ATOM 1143 O ASP B 80 22.356 27.457 7.076 1.00 0.00 O ATOM 1144 CB ASP B 80 24.865 28.214 5.751 1.00 0.00 C ATOM 1145 CG ASP B 80 24.753 29.547 6.498 1.00 0.00 C ATOM 1146 OD1 ASP B 80 24.517 30.567 5.814 1.00 0.00 O ATOM 1147 OD2 ASP B 80 24.903 29.536 7.743 1.00 0.00 O ATOM 0 H ASP B 80 24.161 25.932 4.968 1.00 0.00 H new ATOM 0 HA ASP B 80 25.533 26.948 7.342 1.00 0.00 H new ATOM 0 HB2 ASP B 80 25.843 28.150 5.273 1.00 0.00 H new ATOM 0 HB3 ASP B 80 24.119 28.182 4.957 1.00 0.00 H new ATOM 1152 N GLY B 81 23.610 26.948 8.880 1.00 0.00 N ATOM 1153 CA GLY B 81 22.511 27.035 9.835 1.00 0.00 C ATOM 1154 C GLY B 81 21.554 25.847 9.700 1.00 0.00 C ATOM 1155 O GLY B 81 20.593 25.737 10.460 1.00 0.00 O ATOM 0 H GLY B 81 24.509 26.715 9.303 1.00 0.00 H new ATOM 0 HA2 GLY B 81 22.910 27.068 10.849 1.00 0.00 H new ATOM 0 HA3 GLY B 81 21.963 27.964 9.677 1.00 0.00 H new ATOM 1159 N TYR B 82 21.822 24.963 8.737 1.00 0.00 N ATOM 1160 CA TYR B 82 21.016 23.781 8.470 1.00 0.00 C ATOM 1161 C TYR B 82 21.838 22.503 8.337 1.00 0.00 C ATOM 1162 O TYR B 82 23.066 22.556 8.270 1.00 0.00 O ATOM 1163 CB TYR B 82 20.117 24.014 7.257 1.00 0.00 C ATOM 1164 CG TYR B 82 18.912 24.878 7.545 1.00 0.00 C ATOM 1165 CD1 TYR B 82 17.650 24.289 7.708 1.00 0.00 C ATOM 1166 CD2 TYR B 82 19.061 26.267 7.650 1.00 0.00 C ATOM 1167 CE1 TYR B 82 16.529 25.090 7.972 1.00 0.00 C ATOM 1168 CE2 TYR B 82 17.947 27.074 7.918 1.00 0.00 C ATOM 1169 CZ TYR B 82 16.675 26.488 8.078 1.00 0.00 C ATOM 1170 OH TYR B 82 15.592 27.271 8.339 1.00 0.00 O ATOM 0 H TYR B 82 22.622 25.055 8.111 1.00 0.00 H new ATOM 0 HA TYR B 82 20.384 23.622 9.344 1.00 0.00 H new ATOM 0 HB2 TYR B 82 20.705 24.479 6.466 1.00 0.00 H new ATOM 0 HB3 TYR B 82 19.778 23.050 6.878 1.00 0.00 H new ATOM 0 HD1 TYR B 82 17.541 23.217 7.630 1.00 0.00 H new ATOM 0 HD2 TYR B 82 20.035 26.716 7.524 1.00 0.00 H new ATOM 0 HE1 TYR B 82 15.556 24.637 8.094 1.00 0.00 H new ATOM 0 HE2 TYR B 82 18.063 28.144 8.002 1.00 0.00 H new ATOM 0 HH TYR B 82 15.870 28.210 8.380 1.00 0.00 H new ATOM 1180 N ARG B 83 21.162 21.346 8.301 1.00 0.00 N ATOM 1181 CA ARG B 83 21.821 20.069 8.208 1.00 0.00 C ATOM 1182 C ARG B 83 21.143 19.171 7.184 1.00 0.00 C ATOM 1183 O ARG B 83 19.918 19.082 7.138 1.00 0.00 O ATOM 1184 CB ARG B 83 21.841 19.403 9.587 1.00 0.00 C ATOM 1185 CG ARG B 83 20.484 19.480 10.291 1.00 0.00 C ATOM 1186 CD ARG B 83 20.388 20.758 11.122 1.00 0.00 C ATOM 1187 NE ARG B 83 19.014 20.956 11.606 1.00 0.00 N ATOM 1188 CZ ARG B 83 18.690 21.274 12.861 1.00 0.00 C ATOM 1189 NH1 ARG B 83 19.628 21.449 13.790 1.00 0.00 N ATOM 1190 NH2 ARG B 83 17.411 21.417 13.185 1.00 0.00 N ATOM 0 H ARG B 83 20.144 21.287 8.336 1.00 0.00 H new ATOM 0 HA ARG B 83 22.846 20.228 7.872 1.00 0.00 H new ATOM 0 HB2 ARG B 83 22.133 18.358 9.479 1.00 0.00 H new ATOM 0 HB3 ARG B 83 22.597 19.882 10.208 1.00 0.00 H new ATOM 0 HG2 ARG B 83 19.682 19.457 9.553 1.00 0.00 H new ATOM 0 HG3 ARG B 83 20.350 18.610 10.934 1.00 0.00 H new ATOM 0 HD2 ARG B 83 21.073 20.701 11.968 1.00 0.00 H new ATOM 0 HD3 ARG B 83 20.695 21.614 10.521 1.00 0.00 H new ATOM 0 HE ARG B 83 18.254 20.842 10.935 1.00 0.00 H new ATOM 0 HH11 ARG B 83 20.613 21.340 13.547 1.00 0.00 H new ATOM 0 HH12 ARG B 83 19.362 21.692 14.744 1.00 0.00 H new ATOM 0 HH21 ARG B 83 16.688 21.284 12.478 1.00 0.00 H new ATOM 0 HH22 ARG B 83 17.151 21.660 14.141 1.00 0.00 H new ATOM 1204 N LEU B 84 21.954 18.508 6.361 1.00 0.00 N ATOM 1205 CA LEU B 84 21.471 17.590 5.344 1.00 0.00 C ATOM 1206 C LEU B 84 21.000 16.312 6.020 1.00 0.00 C ATOM 1207 O LEU B 84 21.609 15.867 6.993 1.00 0.00 O ATOM 1208 CB LEU B 84 22.586 17.263 4.342 1.00 0.00 C ATOM 1209 CG LEU B 84 23.025 18.454 3.478 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.878 18.952 2.599 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.538 19.603 4.342 1.00 0.00 C ATOM 0 H LEU B 84 22.970 18.597 6.385 1.00 0.00 H new ATOM 0 HA LEU B 84 20.646 18.054 4.803 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.451 16.886 4.888 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.247 16.459 3.688 1.00 0.00 H new ATOM 0 HG LEU B 84 23.835 18.104 2.838 1.00 0.00 H new ATOM 0 HD11 LEU B 84 22.219 19.796 1.999 1.00 0.00 H new ATOM 0 HD12 LEU B 84 21.549 18.148 1.941 1.00 0.00 H new ATOM 0 HD13 LEU B 84 21.047 19.268 3.230 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.841 20.432 3.702 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.746 19.934 5.014 1.00 0.00 H new ATOM 0 HD23 LEU B 84 24.393 19.265 4.927 1.00 0.00 H new ATOM 1223 N ARG B 85 19.921 15.718 5.507 1.00 0.00 N ATOM 1224 CA ARG B 85 19.436 14.442 6.016 1.00 0.00 C ATOM 1225 C ARG B 85 19.152 13.491 4.865 1.00 0.00 C ATOM 1226 O ARG B 85 18.260 13.728 4.056 1.00 0.00 O ATOM 1227 CB ARG B 85 18.223 14.665 6.917 1.00 0.00 C ATOM 1228 CG ARG B 85 18.682 15.354 8.208 1.00 0.00 C ATOM 1229 CD ARG B 85 17.495 15.672 9.119 1.00 0.00 C ATOM 1230 NE ARG B 85 16.672 16.752 8.563 1.00 0.00 N ATOM 1231 CZ ARG B 85 15.338 16.772 8.613 1.00 0.00 C ATOM 1232 NH1 ARG B 85 14.666 15.785 9.200 1.00 0.00 N ATOM 1233 NH2 ARG B 85 14.674 17.785 8.072 1.00 0.00 N ATOM 0 H ARG B 85 19.369 16.103 4.740 1.00 0.00 H new ATOM 0 HA ARG B 85 20.205 13.972 6.629 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.481 15.279 6.406 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.745 13.713 7.147 1.00 0.00 H new ATOM 0 HG2 ARG B 85 19.386 14.711 8.736 1.00 0.00 H new ATOM 0 HG3 ARG B 85 19.212 16.274 7.963 1.00 0.00 H new ATOM 0 HD2 ARG B 85 16.885 14.778 9.251 1.00 0.00 H new ATOM 0 HD3 ARG B 85 17.858 15.959 10.106 1.00 0.00 H new ATOM 0 HE ARG B 85 17.147 17.534 8.112 1.00 0.00 H new ATOM 0 HH11 ARG B 85 15.170 15.003 9.618 1.00 0.00 H new ATOM 0 HH12 ARG B 85 13.647 15.811 9.232 1.00 0.00 H new ATOM 0 HH21 ARG B 85 15.183 18.545 7.620 1.00 0.00 H new ATOM 0 HH22 ARG B 85 13.655 17.804 8.108 1.00 0.00 H new ATOM 1247 N VAL B 86 19.929 12.408 4.805 1.00 0.00 N ATOM 1248 CA VAL B 86 19.811 11.390 3.772 1.00 0.00 C ATOM 1249 C VAL B 86 19.906 10.016 4.416 1.00 0.00 C ATOM 1250 O VAL B 86 20.982 9.428 4.489 1.00 0.00 O ATOM 1251 CB VAL B 86 20.894 11.590 2.702 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.697 10.583 1.567 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.836 13.005 2.127 1.00 0.00 C ATOM 0 H VAL B 86 20.666 12.215 5.483 1.00 0.00 H new ATOM 0 HA VAL B 86 18.845 11.474 3.275 1.00 0.00 H new ATOM 0 HB VAL B 86 21.866 11.437 3.171 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.469 10.731 0.812 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.766 9.570 1.963 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.715 10.730 1.116 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.613 13.123 1.371 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.859 13.174 1.673 1.00 0.00 H new ATOM 0 HG23 VAL B 86 20.995 13.729 2.926 1.00 0.00 H new ATOM 1263 N GLU B 87 18.766 9.508 4.886 1.00 0.00 N ATOM 1264 CA GLU B 87 18.693 8.216 5.556 1.00 0.00 C ATOM 1265 C GLU B 87 17.331 7.567 5.321 1.00 0.00 C ATOM 1266 O GLU B 87 16.381 8.233 4.921 1.00 0.00 O ATOM 1267 CB GLU B 87 18.957 8.398 7.054 1.00 0.00 C ATOM 1268 CG GLU B 87 17.899 9.302 7.699 1.00 0.00 C ATOM 1269 CD GLU B 87 18.127 9.468 9.200 1.00 0.00 C ATOM 1270 OE1 GLU B 87 17.358 10.247 9.807 1.00 0.00 O ATOM 1271 OE2 GLU B 87 19.061 8.820 9.727 1.00 0.00 O ATOM 0 H GLU B 87 17.867 9.985 4.811 1.00 0.00 H new ATOM 0 HA GLU B 87 19.455 7.556 5.142 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.957 7.426 7.546 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.947 8.830 7.201 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.917 10.281 7.219 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.909 8.881 7.527 1.00 0.00 H new ATOM 1278 N PHE B 88 17.242 6.259 5.573 1.00 0.00 N ATOM 1279 CA PHE B 88 16.001 5.515 5.404 1.00 0.00 C ATOM 1280 C PHE B 88 14.948 5.777 6.484 1.00 0.00 C ATOM 1281 O PHE B 88 15.295 6.117 7.615 1.00 0.00 O ATOM 1282 CB PHE B 88 16.289 4.023 5.214 1.00 0.00 C ATOM 1283 CG PHE B 88 17.424 3.516 6.073 1.00 0.00 C ATOM 1284 CD1 PHE B 88 17.166 3.030 7.362 1.00 0.00 C ATOM 1285 CD2 PHE B 88 18.734 3.528 5.578 1.00 0.00 C ATOM 1286 CE1 PHE B 88 18.222 2.560 8.158 1.00 0.00 C ATOM 1287 CE2 PHE B 88 19.791 3.065 6.374 1.00 0.00 C ATOM 1288 CZ PHE B 88 19.534 2.578 7.663 1.00 0.00 C ATOM 0 H PHE B 88 18.026 5.693 5.898 1.00 0.00 H new ATOM 0 HA PHE B 88 15.541 5.897 4.493 1.00 0.00 H new ATOM 0 HB2 PHE B 88 15.388 3.455 5.444 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.525 3.837 4.166 1.00 0.00 H new ATOM 0 HD1 PHE B 88 16.155 3.017 7.742 1.00 0.00 H new ATOM 0 HD2 PHE B 88 18.930 3.895 4.581 1.00 0.00 H new ATOM 0 HE1 PHE B 88 18.024 2.185 9.151 1.00 0.00 H new ATOM 0 HE2 PHE B 88 20.802 3.084 5.995 1.00 0.00 H new ATOM 0 HZ PHE B 88 20.347 2.216 8.275 1.00 0.00 H new ATOM 1298 N PRO B 89 13.660 5.624 6.143 1.00 0.00 N ATOM 1299 CA PRO B 89 12.554 5.761 7.076 1.00 0.00 C ATOM 1300 C PRO B 89 12.574 4.634 8.111 1.00 0.00 C ATOM 1301 O PRO B 89 12.889 3.486 7.719 1.00 0.00 O ATOM 1302 CB PRO B 89 11.285 5.709 6.220 1.00 0.00 C ATOM 1303 CG PRO B 89 11.712 4.940 4.970 1.00 0.00 C ATOM 1304 CD PRO B 89 13.188 5.291 4.812 1.00 0.00 C ATOM 0 HA PRO B 89 12.613 6.692 7.640 1.00 0.00 H new ATOM 0 HB2 PRO B 89 10.472 5.203 6.741 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.930 6.709 5.971 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.567 3.867 5.092 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.133 5.243 4.097 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.747 4.452 4.397 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.319 6.130 4.129 1.00 0.00 H new