USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 HIS : no HD1:sc= -10.3! C(o=-10!,f=-17!) USER MOD Set 2.1: A 73 MET CE :methyl -148:sc= -2.31 (180deg=-5.01!) USER MOD Set 2.2: A 76 GLN : amide:sc= -2.82! C(o=-5.1!,f=-5.8!) USER MOD Set 3.1: A 56 CYS SG : rot -73:sc= -2.3 USER MOD Set 3.2: A 61 GLN : amide:sc= -0.344 K(o=-2.6,f=-5.4!) USER MOD Set 4.1: A 47 ASN : amide:sc= -1.66 K(o=-1.9,f=-0.53) USER MOD Set 4.2: A 55 ASN : amide:sc= -0.213 K(o=-1.9,f=-0.037) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.144) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 164:sc= 0 (180deg=-0.31) USER MOD Single : A 28 THR OG1 : rot 153:sc= -2.31 USER MOD Single : A 38 HIS : no HD1:sc= -1.67! K(o=-1.7!,f=-0.6) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1.4) USER MOD Single : A 49 ASN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= 0.325 (180deg=0.256) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0863 USER MOD Single : A 75 SER OG : rot -105:sc= 1.17 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.17) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -3.945 -14.037 -1.173 1.00 0.00 N ATOM 112 CA LYS A 11 -3.409 -13.204 -0.111 1.00 0.00 C ATOM 113 C LYS A 11 -1.898 -13.424 -0.008 1.00 0.00 C ATOM 114 O LYS A 11 -1.401 -14.500 -0.339 1.00 0.00 O ATOM 115 CB LYS A 11 -4.158 -13.457 1.199 1.00 0.00 C ATOM 116 CG LYS A 11 -5.647 -13.139 1.049 1.00 0.00 C ATOM 117 CD LYS A 11 -6.240 -12.656 2.374 1.00 0.00 C ATOM 118 CE LYS A 11 -7.456 -13.496 2.769 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.708 -12.823 2.354 1.00 0.00 N ATOM 0 HA LYS A 11 -3.563 -12.150 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.033 -14.498 1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.729 -12.844 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.784 -12.374 0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.180 -14.027 0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.484 -12.713 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.530 -11.609 2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.393 -14.479 2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.461 -13.654 3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.524 -13.406 2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.774 -11.895 2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.707 -12.694 1.322 1.00 0.00 H new ATOM 133 N PHE A 12 -1.211 -12.389 0.452 1.00 0.00 N ATOM 134 CA PHE A 12 0.233 -12.457 0.603 1.00 0.00 C ATOM 135 C PHE A 12 0.652 -12.107 2.032 1.00 0.00 C ATOM 136 O PHE A 12 0.168 -11.131 2.603 1.00 0.00 O ATOM 137 CB PHE A 12 0.831 -11.428 -0.358 1.00 0.00 C ATOM 138 CG PHE A 12 0.341 -11.565 -1.801 1.00 0.00 C ATOM 139 CD1 PHE A 12 0.905 -12.489 -2.625 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.658 -10.764 -2.259 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.450 -12.616 -3.964 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.112 -10.892 -3.598 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.549 -11.815 -4.423 1.00 0.00 C ATOM 0 H PHE A 12 -1.627 -11.499 0.725 1.00 0.00 H new ATOM 0 HA PHE A 12 0.583 -13.467 0.388 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.592 -10.428 0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.917 -11.521 -0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.698 -13.125 -2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.106 -10.031 -1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.897 -13.349 -4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.905 -10.256 -3.962 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.895 -11.912 -5.442 1.00 0.00 H new ATOM 153 N LYS A 13 1.547 -12.923 2.569 1.00 0.00 N ATOM 154 CA LYS A 13 2.037 -12.711 3.921 1.00 0.00 C ATOM 155 C LYS A 13 2.937 -11.474 3.945 1.00 0.00 C ATOM 156 O LYS A 13 3.870 -11.365 3.151 1.00 0.00 O ATOM 157 CB LYS A 13 2.717 -13.976 4.448 1.00 0.00 C ATOM 158 CG LYS A 13 2.817 -13.949 5.975 1.00 0.00 C ATOM 159 CD LYS A 13 4.206 -14.391 6.441 1.00 0.00 C ATOM 160 CE LYS A 13 4.122 -15.157 7.763 1.00 0.00 C ATOM 161 NZ LYS A 13 3.463 -14.331 8.799 1.00 0.00 N ATOM 0 H LYS A 13 1.946 -13.732 2.093 1.00 0.00 H new ATOM 0 HA LYS A 13 1.208 -12.515 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.154 -14.854 4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.714 -14.064 4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.611 -12.942 6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.060 -14.605 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.666 -15.021 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.848 -13.518 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.565 -16.083 7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.123 -15.435 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.622 -14.756 9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.862 -13.371 8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.442 -14.285 8.608 1.00 0.00 H new ATOM 175 N LEU A 14 2.625 -10.572 4.864 1.00 0.00 N ATOM 176 CA LEU A 14 3.394 -9.347 5.002 1.00 0.00 C ATOM 177 C LEU A 14 4.756 -9.672 5.617 1.00 0.00 C ATOM 178 O LEU A 14 4.962 -10.768 6.136 1.00 0.00 O ATOM 179 CB LEU A 14 2.599 -8.301 5.786 1.00 0.00 C ATOM 180 CG LEU A 14 1.540 -7.531 4.993 1.00 0.00 C ATOM 181 CD1 LEU A 14 0.155 -8.153 5.179 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.555 -6.045 5.359 1.00 0.00 C ATOM 0 H LEU A 14 1.850 -10.665 5.520 1.00 0.00 H new ATOM 0 HA LEU A 14 3.583 -8.903 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.108 -8.798 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.301 -7.583 6.210 1.00 0.00 H new ATOM 0 HG LEU A 14 1.786 -7.605 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.578 -7.587 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.170 -9.186 4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.115 -8.131 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.794 -5.520 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.347 -5.930 6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.535 -5.625 5.133 1.00 0.00 H new ATOM 194 N SER A 15 5.652 -8.699 5.539 1.00 0.00 N ATOM 195 CA SER A 15 6.990 -8.867 6.082 1.00 0.00 C ATOM 196 C SER A 15 7.054 -8.298 7.500 1.00 0.00 C ATOM 197 O SER A 15 6.068 -7.762 8.003 1.00 0.00 O ATOM 198 CB SER A 15 8.034 -8.192 5.191 1.00 0.00 C ATOM 199 OG SER A 15 8.553 -9.083 4.207 1.00 0.00 O ATOM 0 H SER A 15 5.478 -7.791 5.108 1.00 0.00 H new ATOM 0 HA SER A 15 7.215 -9.933 6.115 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.586 -7.329 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.851 -7.819 5.809 1.00 0.00 H new ATOM 0 HG SER A 15 9.215 -8.614 3.657 1.00 0.00 H new ATOM 205 N THR A 16 8.224 -8.436 8.106 1.00 0.00 N ATOM 206 CA THR A 16 8.430 -7.942 9.457 1.00 0.00 C ATOM 207 C THR A 16 8.292 -6.419 9.495 1.00 0.00 C ATOM 208 O THR A 16 7.831 -5.858 10.488 1.00 0.00 O ATOM 209 CB THR A 16 9.793 -8.441 9.940 1.00 0.00 C ATOM 210 OG1 THR A 16 9.624 -9.850 10.064 1.00 0.00 O ATOM 211 CG2 THR A 16 10.116 -7.978 11.362 1.00 0.00 C ATOM 0 H THR A 16 9.039 -8.883 7.686 1.00 0.00 H new ATOM 0 HA THR A 16 7.669 -8.323 10.138 1.00 0.00 H new ATOM 0 HB THR A 16 10.569 -8.091 9.259 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.462 -10.254 10.371 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.094 -8.360 11.656 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.126 -6.889 11.396 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.358 -8.356 12.049 1.00 0.00 H new ATOM 219 N ALA A 17 8.701 -5.792 8.402 1.00 0.00 N ATOM 220 CA ALA A 17 8.629 -4.345 8.297 1.00 0.00 C ATOM 221 C ALA A 17 7.222 -3.939 7.854 1.00 0.00 C ATOM 222 O ALA A 17 6.628 -3.024 8.422 1.00 0.00 O ATOM 223 CB ALA A 17 9.710 -3.847 7.335 1.00 0.00 C ATOM 0 H ALA A 17 9.084 -6.260 7.581 1.00 0.00 H new ATOM 0 HA ALA A 17 8.816 -3.881 9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.655 -2.761 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.692 -4.135 7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.554 -4.290 6.351 1.00 0.00 H new ATOM 229 N LEU A 18 6.730 -4.640 6.843 1.00 0.00 N ATOM 230 CA LEU A 18 5.404 -4.365 6.317 1.00 0.00 C ATOM 231 C LEU A 18 4.373 -4.514 7.438 1.00 0.00 C ATOM 232 O LEU A 18 3.509 -3.656 7.610 1.00 0.00 O ATOM 233 CB LEU A 18 5.118 -5.244 5.098 1.00 0.00 C ATOM 234 CG LEU A 18 4.542 -4.528 3.875 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.457 -3.387 3.426 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.261 -5.517 2.742 1.00 0.00 C ATOM 0 H LEU A 18 7.226 -5.398 6.374 1.00 0.00 H new ATOM 0 HA LEU A 18 5.342 -3.337 5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.045 -5.735 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.423 -6.029 5.396 1.00 0.00 H new ATOM 0 HG LEU A 18 3.588 -4.083 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.024 -2.895 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.562 -2.665 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.437 -3.787 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.852 -4.982 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.188 -6.012 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.542 -6.263 3.080 1.00 0.00 H new ATOM 248 N MET A 19 4.500 -5.610 8.172 1.00 0.00 N ATOM 249 CA MET A 19 3.590 -5.882 9.272 1.00 0.00 C ATOM 250 C MET A 19 3.618 -4.749 10.300 1.00 0.00 C ATOM 251 O MET A 19 2.731 -4.653 11.147 1.00 0.00 O ATOM 252 CB MET A 19 3.987 -7.196 9.949 1.00 0.00 C ATOM 253 CG MET A 19 3.308 -8.388 9.272 1.00 0.00 C ATOM 254 SD MET A 19 4.455 -9.750 9.141 1.00 0.00 S ATOM 255 CE MET A 19 4.844 -9.995 10.866 1.00 0.00 C ATOM 0 H MET A 19 5.218 -6.319 8.027 1.00 0.00 H new ATOM 0 HA MET A 19 2.579 -5.959 8.872 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.069 -7.318 9.908 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.709 -7.165 11.003 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.433 -8.693 9.846 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.956 -8.102 8.281 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.315 -10.969 10.998 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.527 -9.214 11.199 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.928 -9.952 11.455 1.00 0.00 H new ATOM 265 N ASP A 20 4.645 -3.920 10.191 1.00 0.00 N ATOM 266 CA ASP A 20 4.799 -2.797 11.101 1.00 0.00 C ATOM 267 C ASP A 20 4.390 -1.507 10.386 1.00 0.00 C ATOM 268 O ASP A 20 4.426 -0.429 10.976 1.00 0.00 O ATOM 269 CB ASP A 20 6.254 -2.648 11.550 1.00 0.00 C ATOM 270 CG ASP A 20 6.471 -2.686 13.064 1.00 0.00 C ATOM 271 OD1 ASP A 20 6.170 -1.656 13.706 1.00 0.00 O ATOM 272 OD2 ASP A 20 6.933 -3.743 13.545 1.00 0.00 O ATOM 0 H ASP A 20 5.379 -4.003 9.487 1.00 0.00 H new ATOM 0 HA ASP A 20 4.170 -2.980 11.972 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.843 -3.444 11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.642 -1.705 11.166 1.00 0.00 H new ATOM 277 N VAL A 21 4.012 -1.661 9.126 1.00 0.00 N ATOM 278 CA VAL A 21 3.597 -0.523 8.325 1.00 0.00 C ATOM 279 C VAL A 21 2.077 -0.369 8.414 1.00 0.00 C ATOM 280 O VAL A 21 1.577 0.702 8.755 1.00 0.00 O ATOM 281 CB VAL A 21 4.098 -0.683 6.888 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.523 0.408 5.982 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.627 -0.687 6.839 1.00 0.00 C ATOM 0 H VAL A 21 3.984 -2.557 8.640 1.00 0.00 H new ATOM 0 HA VAL A 21 4.040 0.396 8.709 1.00 0.00 H new ATOM 0 HB VAL A 21 3.748 -1.646 6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.895 0.271 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.435 0.345 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.829 1.387 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.958 -0.802 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.006 0.253 7.239 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.008 -1.515 7.436 1.00 0.00 H new ATOM 293 N LEU A 22 1.385 -1.454 8.101 1.00 0.00 N ATOM 294 CA LEU A 22 -0.067 -1.454 8.142 1.00 0.00 C ATOM 295 C LEU A 22 -0.537 -2.111 9.441 1.00 0.00 C ATOM 296 O LEU A 22 -1.266 -1.500 10.222 1.00 0.00 O ATOM 297 CB LEU A 22 -0.639 -2.106 6.881 1.00 0.00 C ATOM 298 CG LEU A 22 -0.019 -1.660 5.555 1.00 0.00 C ATOM 299 CD1 LEU A 22 -0.471 -2.564 4.407 1.00 0.00 C ATOM 300 CD2 LEU A 22 -0.320 -0.186 5.277 1.00 0.00 C ATOM 0 H LEU A 22 1.803 -2.340 7.818 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.447 -0.433 8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.521 -3.186 6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.709 -1.904 6.845 1.00 0.00 H new ATOM 0 HG LEU A 22 1.064 -1.758 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.016 -2.225 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.163 -3.590 4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.556 -2.522 4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.132 0.105 4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.399 -0.038 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.092 0.427 6.079 1.00 0.00 H new ATOM 312 N GLY A 23 -0.102 -3.347 9.633 1.00 0.00 N ATOM 313 CA GLY A 23 -0.469 -4.094 10.824 1.00 0.00 C ATOM 314 C GLY A 23 -1.255 -5.355 10.460 1.00 0.00 C ATOM 315 O GLY A 23 -2.158 -5.760 11.190 1.00 0.00 O ATOM 0 H GLY A 23 0.502 -3.851 8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.430 -4.368 11.377 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.068 -3.465 11.482 1.00 0.00 H new ATOM 319 N ILE A 24 -0.882 -5.941 9.332 1.00 0.00 N ATOM 320 CA ILE A 24 -1.541 -7.148 8.862 1.00 0.00 C ATOM 321 C ILE A 24 -0.516 -8.279 8.766 1.00 0.00 C ATOM 322 O ILE A 24 0.686 -8.027 8.683 1.00 0.00 O ATOM 323 CB ILE A 24 -2.283 -6.878 7.551 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.556 -5.821 6.717 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.741 -6.497 7.815 1.00 0.00 C ATOM 326 CD1 ILE A 24 -2.274 -5.583 5.387 1.00 0.00 C ATOM 0 H ILE A 24 -0.132 -5.603 8.730 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.303 -7.467 9.573 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.291 -7.798 6.967 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.500 -4.887 7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.532 -6.142 6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.246 -6.310 6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.241 -7.312 8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.776 -5.597 8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.737 -4.827 4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.307 -6.513 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.290 -5.238 5.579 1.00 0.00 H new ATOM 338 N GLU A 25 -1.027 -9.501 8.781 1.00 0.00 N ATOM 339 CA GLU A 25 -0.170 -10.672 8.697 1.00 0.00 C ATOM 340 C GLU A 25 -0.130 -11.198 7.261 1.00 0.00 C ATOM 341 O GLU A 25 0.905 -11.676 6.800 1.00 0.00 O ATOM 342 CB GLU A 25 -0.634 -11.761 9.667 1.00 0.00 C ATOM 343 CG GLU A 25 -2.038 -12.252 9.310 1.00 0.00 C ATOM 344 CD GLU A 25 -2.891 -12.433 10.567 1.00 0.00 C ATOM 345 OE1 GLU A 25 -3.034 -11.434 11.305 1.00 0.00 O ATOM 346 OE2 GLU A 25 -3.381 -13.566 10.762 1.00 0.00 O ATOM 0 H GLU A 25 -2.024 -9.706 8.850 1.00 0.00 H new ATOM 0 HA GLU A 25 0.840 -10.381 8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.065 -12.597 9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.629 -11.372 10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.518 -11.538 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.971 -13.198 8.772 1.00 0.00 H new ATOM 353 N VAL A 26 -1.270 -11.092 6.593 1.00 0.00 N ATOM 354 CA VAL A 26 -1.378 -11.551 5.219 1.00 0.00 C ATOM 355 C VAL A 26 -2.594 -10.896 4.561 1.00 0.00 C ATOM 356 O VAL A 26 -3.733 -11.214 4.898 1.00 0.00 O ATOM 357 CB VAL A 26 -1.428 -13.080 5.180 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.101 -13.638 6.436 1.00 0.00 C ATOM 359 CG2 VAL A 26 -2.133 -13.573 3.915 1.00 0.00 C ATOM 0 H VAL A 26 -2.127 -10.695 6.978 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.499 -11.253 4.647 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.403 -13.449 5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.124 -14.726 6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.539 -13.329 7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.120 -13.257 6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.155 -14.663 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.153 -13.189 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.594 -13.219 3.036 1.00 0.00 H new ATOM 369 N GLU A 27 -2.310 -9.993 3.634 1.00 0.00 N ATOM 370 CA GLU A 27 -3.367 -9.291 2.925 1.00 0.00 C ATOM 371 C GLU A 27 -3.248 -9.533 1.419 1.00 0.00 C ATOM 372 O GLU A 27 -2.337 -10.225 0.968 1.00 0.00 O ATOM 373 CB GLU A 27 -3.339 -7.794 3.244 1.00 0.00 C ATOM 374 CG GLU A 27 -4.728 -7.294 3.646 1.00 0.00 C ATOM 375 CD GLU A 27 -5.333 -8.175 4.741 1.00 0.00 C ATOM 376 OE1 GLU A 27 -4.551 -8.615 5.611 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.563 -8.389 4.683 1.00 0.00 O ATOM 0 H GLU A 27 -1.364 -9.731 3.357 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.327 -9.684 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.632 -7.604 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.986 -7.240 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.660 -6.265 3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.383 -7.290 2.775 1.00 0.00 H new ATOM 384 N THR A 28 -4.182 -8.949 0.683 1.00 0.00 N ATOM 385 CA THR A 28 -4.194 -9.093 -0.763 1.00 0.00 C ATOM 386 C THR A 28 -3.201 -8.121 -1.403 1.00 0.00 C ATOM 387 O THR A 28 -2.326 -7.585 -0.725 1.00 0.00 O ATOM 388 CB THR A 28 -5.633 -8.898 -1.246 1.00 0.00 C ATOM 389 OG1 THR A 28 -5.987 -7.604 -0.766 1.00 0.00 O ATOM 390 CG2 THR A 28 -6.618 -9.837 -0.547 1.00 0.00 C ATOM 0 H THR A 28 -4.936 -8.375 1.061 1.00 0.00 H new ATOM 0 HA THR A 28 -3.867 -10.088 -1.064 1.00 0.00 H new ATOM 0 HB THR A 28 -5.680 -9.060 -2.323 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.671 -7.214 -1.350 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.624 -9.657 -0.926 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.336 -10.871 -0.743 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.597 -9.652 0.527 1.00 0.00 H new ATOM 398 N ARG A 29 -3.369 -7.924 -2.703 1.00 0.00 N ATOM 399 CA ARG A 29 -2.499 -7.027 -3.442 1.00 0.00 C ATOM 400 C ARG A 29 -2.988 -5.583 -3.310 1.00 0.00 C ATOM 401 O ARG A 29 -2.191 -4.670 -3.101 1.00 0.00 O ATOM 402 CB ARG A 29 -2.447 -7.406 -4.924 1.00 0.00 C ATOM 403 CG ARG A 29 -1.143 -6.928 -5.567 1.00 0.00 C ATOM 404 CD ARG A 29 -1.057 -7.374 -7.028 1.00 0.00 C ATOM 405 NE ARG A 29 -0.886 -6.197 -7.908 1.00 0.00 N ATOM 406 CZ ARG A 29 -1.894 -5.423 -8.332 1.00 0.00 C ATOM 407 NH1 ARG A 29 -3.152 -5.698 -7.960 1.00 0.00 N ATOM 408 NH2 ARG A 29 -1.645 -4.375 -9.129 1.00 0.00 N ATOM 0 H ARG A 29 -4.095 -8.371 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.498 -7.115 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.534 -8.487 -5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.297 -6.966 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.082 -5.841 -5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.293 -7.324 -5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.220 -8.060 -7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.961 -7.917 -7.305 1.00 0.00 H new ATOM 0 HE ARG A 29 0.059 -5.960 -8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.342 -6.496 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.920 -5.109 -8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.688 -4.166 -9.413 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.413 -3.786 -9.452 1.00 0.00 H new ATOM 422 N PRO A 30 -4.332 -5.418 -3.439 1.00 0.00 N ATOM 423 CA PRO A 30 -4.937 -4.101 -3.336 1.00 0.00 C ATOM 424 C PRO A 30 -4.985 -3.632 -1.880 1.00 0.00 C ATOM 425 O PRO A 30 -4.430 -2.587 -1.542 1.00 0.00 O ATOM 426 CB PRO A 30 -6.316 -4.252 -3.956 1.00 0.00 C ATOM 427 CG PRO A 30 -6.610 -5.743 -3.962 1.00 0.00 C ATOM 428 CD PRO A 30 -5.307 -6.476 -3.686 1.00 0.00 C ATOM 0 HA PRO A 30 -4.363 -3.333 -3.855 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.065 -3.709 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.336 -3.846 -4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.354 -5.988 -3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.023 -6.047 -4.924 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.400 -7.138 -2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.014 -7.095 -4.534 1.00 0.00 H new ATOM 436 N ARG A 31 -5.653 -4.427 -1.057 1.00 0.00 N ATOM 437 CA ARG A 31 -5.780 -4.106 0.354 1.00 0.00 C ATOM 438 C ARG A 31 -4.499 -3.445 0.866 1.00 0.00 C ATOM 439 O ARG A 31 -4.554 -2.440 1.573 1.00 0.00 O ATOM 440 CB ARG A 31 -6.063 -5.362 1.181 1.00 0.00 C ATOM 441 CG ARG A 31 -7.526 -5.789 1.047 1.00 0.00 C ATOM 442 CD ARG A 31 -7.867 -6.899 2.044 1.00 0.00 C ATOM 443 NE ARG A 31 -9.217 -7.435 1.761 1.00 0.00 N ATOM 444 CZ ARG A 31 -10.351 -6.907 2.243 1.00 0.00 C ATOM 445 NH1 ARG A 31 -10.304 -5.826 3.033 1.00 0.00 N ATOM 446 NH2 ARG A 31 -11.532 -7.461 1.934 1.00 0.00 N ATOM 0 H ARG A 31 -6.112 -5.293 -1.341 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.617 -3.416 0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.412 -6.172 0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.831 -5.172 2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.176 -4.931 1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.716 -6.137 0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.128 -7.698 1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.827 -6.510 3.062 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.289 -8.257 1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.405 -5.405 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.167 -5.424 3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.567 -8.284 1.332 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.395 -7.060 2.301 1.00 0.00 H new ATOM 460 N ILE A 32 -3.374 -4.036 0.489 1.00 0.00 N ATOM 461 CA ILE A 32 -2.081 -3.517 0.901 1.00 0.00 C ATOM 462 C ILE A 32 -1.833 -2.174 0.212 1.00 0.00 C ATOM 463 O ILE A 32 -1.722 -1.143 0.874 1.00 0.00 O ATOM 464 CB ILE A 32 -0.983 -4.551 0.646 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.367 -5.913 1.228 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.366 -4.061 1.177 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.359 -6.989 0.818 1.00 0.00 C ATOM 0 H ILE A 32 -3.332 -4.869 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.069 -3.332 1.975 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.878 -4.679 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.413 -5.848 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.363 -6.192 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.129 -4.815 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.638 -3.132 0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.293 -3.887 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.656 -7.947 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.333 -7.068 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.631 -6.719 1.185 1.00 0.00 H new ATOM 479 N ILE A 33 -1.753 -2.229 -1.110 1.00 0.00 N ATOM 480 CA ILE A 33 -1.520 -1.029 -1.896 1.00 0.00 C ATOM 481 C ILE A 33 -2.381 0.110 -1.348 1.00 0.00 C ATOM 482 O ILE A 33 -1.894 1.222 -1.149 1.00 0.00 O ATOM 483 CB ILE A 33 -1.745 -1.310 -3.383 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.720 -2.315 -3.912 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.747 -0.012 -4.192 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.222 -2.989 -5.190 1.00 0.00 C ATOM 0 H ILE A 33 -1.845 -3.085 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.480 -0.713 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.729 -1.763 -3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.223 -1.807 -4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.521 -3.071 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.909 -0.240 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.546 0.638 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.788 0.492 -4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.474 -3.698 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.153 -3.516 -4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.397 -2.233 -5.955 1.00 0.00 H new ATOM 498 N ALA A 34 -3.648 -0.206 -1.119 1.00 0.00 N ATOM 499 CA ALA A 34 -4.582 0.778 -0.598 1.00 0.00 C ATOM 500 C ALA A 34 -4.225 1.094 0.856 1.00 0.00 C ATOM 501 O ALA A 34 -4.094 2.259 1.227 1.00 0.00 O ATOM 502 CB ALA A 34 -6.011 0.253 -0.746 1.00 0.00 C ATOM 0 H ALA A 34 -4.049 -1.129 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.515 1.708 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.712 0.991 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.225 0.072 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.116 -0.678 -0.189 1.00 0.00 H new ATOM 508 N ALA A 35 -4.077 0.035 1.639 1.00 0.00 N ATOM 509 CA ALA A 35 -3.738 0.185 3.044 1.00 0.00 C ATOM 510 C ALA A 35 -2.599 1.197 3.183 1.00 0.00 C ATOM 511 O ALA A 35 -2.482 1.869 4.208 1.00 0.00 O ATOM 512 CB ALA A 35 -3.379 -1.181 3.631 1.00 0.00 C ATOM 0 H ALA A 35 -4.186 -0.930 1.327 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.590 0.567 3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.125 -1.069 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.231 -1.854 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.526 -1.595 3.094 1.00 0.00 H new ATOM 518 N ILE A 36 -1.787 1.275 2.139 1.00 0.00 N ATOM 519 CA ILE A 36 -0.662 2.194 2.132 1.00 0.00 C ATOM 520 C ILE A 36 -1.136 3.571 1.662 1.00 0.00 C ATOM 521 O ILE A 36 -0.688 4.594 2.177 1.00 0.00 O ATOM 522 CB ILE A 36 0.490 1.624 1.302 1.00 0.00 C ATOM 523 CG1 ILE A 36 0.997 0.309 1.898 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.613 2.651 1.144 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.910 -0.423 0.913 1.00 0.00 C ATOM 0 H ILE A 36 -1.886 0.716 1.291 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.267 2.320 3.140 1.00 0.00 H new ATOM 0 HB ILE A 36 0.114 1.402 0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.539 0.510 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.151 -0.327 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.419 2.220 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.227 3.538 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.994 2.927 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.257 -1.354 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.357 -0.643 -0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.768 0.206 0.675 1.00 0.00 H new ATOM 537 N TRP A 37 -2.035 3.552 0.690 1.00 0.00 N ATOM 538 CA TRP A 37 -2.574 4.786 0.144 1.00 0.00 C ATOM 539 C TRP A 37 -3.198 5.578 1.295 1.00 0.00 C ATOM 540 O TRP A 37 -3.062 6.799 1.358 1.00 0.00 O ATOM 541 CB TRP A 37 -3.562 4.499 -0.988 1.00 0.00 C ATOM 542 CG TRP A 37 -2.911 3.943 -2.256 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.687 3.414 -2.391 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.502 3.882 -3.571 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.448 3.018 -3.691 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.587 3.312 -4.431 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.769 4.296 -4.019 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.840 3.102 -5.792 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -5.008 4.080 -5.381 1.00 0.00 C ATOM 550 CH2 TRP A 37 -4.096 3.507 -6.261 1.00 0.00 C ATOM 0 H TRP A 37 -2.404 2.701 0.266 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.784 5.387 -0.305 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.308 3.788 -0.633 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.091 5.419 -1.237 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.977 3.311 -1.584 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.593 2.589 -4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.500 4.745 -3.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.106 2.652 -6.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.968 4.379 -5.776 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.355 3.375 -7.301 1.00 0.00 H new ATOM 561 N HIS A 38 -3.869 4.851 2.177 1.00 0.00 N ATOM 562 CA HIS A 38 -4.514 5.471 3.322 1.00 0.00 C ATOM 563 C HIS A 38 -3.462 5.818 4.378 1.00 0.00 C ATOM 564 O HIS A 38 -3.437 6.936 4.890 1.00 0.00 O ATOM 565 CB HIS A 38 -5.629 4.576 3.867 1.00 0.00 C ATOM 566 CG HIS A 38 -6.152 5.002 5.219 1.00 0.00 C ATOM 567 ND1 HIS A 38 -7.477 5.332 5.439 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.514 5.146 6.416 1.00 0.00 C ATOM 569 CE1 HIS A 38 -7.620 5.660 6.715 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.402 5.545 7.318 1.00 0.00 N ATOM 0 H HIS A 38 -3.980 3.839 2.122 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.991 6.402 3.016 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.455 4.567 3.155 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.258 3.553 3.938 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.465 4.966 6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.539 5.965 7.193 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.206 5.735 8.301 1.00 0.00 H new ATOM 578 N TYR A 39 -2.620 4.838 4.672 1.00 0.00 N ATOM 579 CA TYR A 39 -1.569 5.026 5.657 1.00 0.00 C ATOM 580 C TYR A 39 -0.745 6.278 5.349 1.00 0.00 C ATOM 581 O TYR A 39 -0.612 7.161 6.194 1.00 0.00 O ATOM 582 CB TYR A 39 -0.665 3.796 5.550 1.00 0.00 C ATOM 583 CG TYR A 39 0.526 3.812 6.510 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.314 3.898 7.871 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.812 3.742 6.015 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.435 3.914 8.775 1.00 0.00 C ATOM 587 CE2 TYR A 39 2.933 3.758 6.919 1.00 0.00 C ATOM 588 CZ TYR A 39 2.689 3.843 8.254 1.00 0.00 C ATOM 589 OH TYR A 39 3.748 3.858 9.107 1.00 0.00 O ATOM 0 H TYR A 39 -2.644 3.912 4.245 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.995 5.147 6.653 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.260 2.903 5.741 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.294 3.719 4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.693 3.953 8.258 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.978 3.675 4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.283 3.981 9.842 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.945 3.704 6.545 1.00 0.00 H new ATOM 0 HH TYR A 39 4.581 3.800 8.595 1.00 0.00 H new ATOM 599 N VAL A 40 -0.213 6.313 4.136 1.00 0.00 N ATOM 600 CA VAL A 40 0.594 7.442 3.705 1.00 0.00 C ATOM 601 C VAL A 40 -0.053 8.740 4.189 1.00 0.00 C ATOM 602 O VAL A 40 0.568 9.515 4.916 1.00 0.00 O ATOM 603 CB VAL A 40 0.786 7.399 2.188 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.260 8.753 1.657 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.756 6.284 1.789 1.00 0.00 C ATOM 0 H VAL A 40 -0.325 5.578 3.438 1.00 0.00 H new ATOM 0 HA VAL A 40 1.589 7.391 4.147 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.181 7.181 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.389 8.695 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.519 9.516 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.211 9.014 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.875 6.275 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.724 6.459 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.361 5.323 2.118 1.00 0.00 H new ATOM 615 N LYS A 41 -1.293 8.939 3.767 1.00 0.00 N ATOM 616 CA LYS A 41 -2.032 10.131 4.149 1.00 0.00 C ATOM 617 C LYS A 41 -2.145 10.189 5.674 1.00 0.00 C ATOM 618 O LYS A 41 -2.128 11.271 6.260 1.00 0.00 O ATOM 619 CB LYS A 41 -3.382 10.178 3.430 1.00 0.00 C ATOM 620 CG LYS A 41 -3.204 10.534 1.953 1.00 0.00 C ATOM 621 CD LYS A 41 -4.361 9.987 1.114 1.00 0.00 C ATOM 622 CE LYS A 41 -3.865 9.485 -0.243 1.00 0.00 C ATOM 623 NZ LYS A 41 -4.798 9.891 -1.318 1.00 0.00 N ATOM 0 H LYS A 41 -1.805 8.295 3.164 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.498 11.028 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.879 9.212 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.028 10.913 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.148 11.617 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.261 10.127 1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.851 9.174 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.108 10.767 0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.872 9.886 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.773 8.399 -0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.447 9.542 -2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.739 9.488 -1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.865 10.928 -1.346 1.00 0.00 H new ATOM 637 N ALA A 42 -2.257 9.013 6.272 1.00 0.00 N ATOM 638 CA ALA A 42 -2.373 8.917 7.718 1.00 0.00 C ATOM 639 C ALA A 42 -1.254 9.731 8.370 1.00 0.00 C ATOM 640 O ALA A 42 -1.520 10.683 9.102 1.00 0.00 O ATOM 641 CB ALA A 42 -2.342 7.445 8.135 1.00 0.00 C ATOM 0 H ALA A 42 -2.270 8.118 5.783 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.322 9.332 8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.429 7.372 9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.173 6.917 7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.402 6.996 7.815 1.00 0.00 H new ATOM 647 N ARG A 43 -0.025 9.328 8.079 1.00 0.00 N ATOM 648 CA ARG A 43 1.135 10.009 8.628 1.00 0.00 C ATOM 649 C ARG A 43 1.530 11.188 7.737 1.00 0.00 C ATOM 650 O ARG A 43 2.709 11.518 7.624 1.00 0.00 O ATOM 651 CB ARG A 43 2.324 9.055 8.756 1.00 0.00 C ATOM 652 CG ARG A 43 2.187 8.172 9.998 1.00 0.00 C ATOM 653 CD ARG A 43 1.039 7.173 9.837 1.00 0.00 C ATOM 654 NE ARG A 43 0.903 6.356 11.064 1.00 0.00 N ATOM 655 CZ ARG A 43 0.199 6.730 12.141 1.00 0.00 C ATOM 656 NH1 ARG A 43 -0.437 7.910 12.149 1.00 0.00 N ATOM 657 NH2 ARG A 43 0.131 5.925 13.209 1.00 0.00 N ATOM 0 H ARG A 43 0.192 8.539 7.470 1.00 0.00 H new ATOM 0 HA ARG A 43 0.867 10.373 9.620 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.390 8.429 7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.250 9.628 8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.120 7.635 10.171 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.011 8.796 10.874 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.108 7.705 9.639 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.226 6.527 8.979 1.00 0.00 H new ATOM 0 HE ARG A 43 1.375 5.452 11.091 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.385 8.523 11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.973 8.195 12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.615 5.027 13.203 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.405 6.210 14.029 1.00 0.00 H new ATOM 671 N LYS A 44 0.520 11.791 7.127 1.00 0.00 N ATOM 672 CA LYS A 44 0.747 12.927 6.249 1.00 0.00 C ATOM 673 C LYS A 44 2.012 12.684 5.424 1.00 0.00 C ATOM 674 O LYS A 44 2.859 13.568 5.305 1.00 0.00 O ATOM 675 CB LYS A 44 0.777 14.228 7.053 1.00 0.00 C ATOM 676 CG LYS A 44 -0.620 14.843 7.154 1.00 0.00 C ATOM 677 CD LYS A 44 -0.834 15.899 6.068 1.00 0.00 C ATOM 678 CE LYS A 44 -2.077 15.584 5.233 1.00 0.00 C ATOM 679 NZ LYS A 44 -2.019 16.285 3.931 1.00 0.00 N ATOM 0 H LYS A 44 -0.457 11.515 7.223 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.077 13.034 5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.165 14.033 8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.457 14.937 6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.373 14.061 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.752 15.295 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.940 16.882 6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.042 15.942 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.150 14.509 5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.973 15.886 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.870 16.060 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.971 17.311 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.174 15.977 3.408 1.00 0.00 H new ATOM 693 N LEU A 45 2.101 11.480 4.877 1.00 0.00 N ATOM 694 CA LEU A 45 3.249 11.110 4.067 1.00 0.00 C ATOM 695 C LEU A 45 3.041 11.609 2.635 1.00 0.00 C ATOM 696 O LEU A 45 3.994 12.006 1.967 1.00 0.00 O ATOM 697 CB LEU A 45 3.509 9.605 4.162 1.00 0.00 C ATOM 698 CG LEU A 45 4.207 9.124 5.436 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.166 7.598 5.540 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.635 9.666 5.517 1.00 0.00 C ATOM 0 H LEU A 45 1.397 10.749 4.979 1.00 0.00 H new ATOM 0 HA LEU A 45 4.152 11.591 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.555 9.085 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.113 9.306 3.305 1.00 0.00 H new ATOM 0 HG LEU A 45 3.664 9.520 6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.669 7.282 6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.129 7.263 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.671 7.161 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.108 9.309 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.205 9.320 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.611 10.756 5.522 1.00 0.00 H new ATOM 712 N GLN A 46 1.787 11.572 2.207 1.00 0.00 N ATOM 713 CA GLN A 46 1.441 12.015 0.867 1.00 0.00 C ATOM 714 C GLN A 46 2.242 13.266 0.499 1.00 0.00 C ATOM 715 O GLN A 46 2.485 14.124 1.346 1.00 0.00 O ATOM 716 CB GLN A 46 -0.062 12.271 0.745 1.00 0.00 C ATOM 717 CG GLN A 46 -0.460 12.516 -0.712 1.00 0.00 C ATOM 718 CD GLN A 46 -1.768 13.307 -0.797 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.469 13.503 0.182 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.055 13.747 -2.019 1.00 0.00 N ATOM 0 H GLN A 46 0.999 11.242 2.764 1.00 0.00 H new ATOM 0 HA GLN A 46 1.699 11.222 0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.613 11.416 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.338 13.134 1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.333 13.062 -1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.573 11.562 -1.227 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.423 13.547 -2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.907 14.285 -2.181 1.00 0.00 H new ATOM 729 N ASN A 47 2.629 13.331 -0.767 1.00 0.00 N ATOM 730 CA ASN A 47 3.397 14.463 -1.257 1.00 0.00 C ATOM 731 C ASN A 47 2.453 15.459 -1.934 1.00 0.00 C ATOM 732 O ASN A 47 1.600 15.069 -2.731 1.00 0.00 O ATOM 733 CB ASN A 47 4.435 14.018 -2.290 1.00 0.00 C ATOM 734 CG ASN A 47 5.709 14.857 -2.182 1.00 0.00 C ATOM 735 OD1 ASN A 47 5.955 15.764 -2.961 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.505 14.506 -1.176 1.00 0.00 N ATOM 0 H ASN A 47 2.425 12.618 -1.468 1.00 0.00 H new ATOM 0 HA ASN A 47 3.906 14.919 -0.408 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.675 12.965 -2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.018 14.110 -3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.380 15.006 -1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.240 13.737 -0.560 1.00 0.00 H new ATOM 743 N PRO A 48 2.642 16.759 -1.584 1.00 0.00 N ATOM 744 CA PRO A 48 1.817 17.814 -2.149 1.00 0.00 C ATOM 745 C PRO A 48 2.220 18.109 -3.595 1.00 0.00 C ATOM 746 O PRO A 48 1.366 18.185 -4.478 1.00 0.00 O ATOM 747 CB PRO A 48 2.012 19.004 -1.224 1.00 0.00 C ATOM 748 CG PRO A 48 3.288 18.723 -0.447 1.00 0.00 C ATOM 749 CD PRO A 48 3.642 17.258 -0.644 1.00 0.00 C ATOM 0 HA PRO A 48 0.764 17.539 -2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.097 19.930 -1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.162 19.119 -0.551 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.098 19.362 -0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.146 18.942 0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.651 17.144 -1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.607 16.712 0.299 1.00 0.00 H new ATOM 757 N ASN A 49 3.520 18.268 -3.794 1.00 0.00 N ATOM 758 CA ASN A 49 4.046 18.553 -5.118 1.00 0.00 C ATOM 759 C ASN A 49 3.469 17.549 -6.118 1.00 0.00 C ATOM 760 O ASN A 49 2.985 17.935 -7.181 1.00 0.00 O ATOM 761 CB ASN A 49 5.570 18.424 -5.144 1.00 0.00 C ATOM 762 CG ASN A 49 6.233 19.610 -4.440 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.869 19.476 -3.408 1.00 0.00 O ATOM 764 ND2 ASN A 49 6.050 20.775 -5.055 1.00 0.00 N ATOM 0 H ASN A 49 4.225 18.205 -3.060 1.00 0.00 H new ATOM 0 HA ASN A 49 3.766 19.573 -5.380 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.868 17.495 -4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.916 18.369 -6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.454 21.627 -4.665 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.506 20.817 -5.917 1.00 0.00 H new ATOM 771 N ASP A 50 3.540 16.280 -5.742 1.00 0.00 N ATOM 772 CA ASP A 50 3.031 15.218 -6.593 1.00 0.00 C ATOM 773 C ASP A 50 2.027 14.376 -5.804 1.00 0.00 C ATOM 774 O ASP A 50 2.370 13.796 -4.775 1.00 0.00 O ATOM 775 CB ASP A 50 4.160 14.296 -7.057 1.00 0.00 C ATOM 776 CG ASP A 50 5.086 14.891 -8.119 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.842 15.819 -7.758 1.00 0.00 O ATOM 778 OD2 ASP A 50 5.018 14.405 -9.269 1.00 0.00 O ATOM 0 H ASP A 50 3.942 15.964 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 50 2.561 15.678 -7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.759 14.015 -6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.721 13.379 -7.451 1.00 0.00 H new ATOM 783 N PRO A 51 0.773 14.334 -6.330 1.00 0.00 N ATOM 784 CA PRO A 51 -0.284 13.573 -5.686 1.00 0.00 C ATOM 785 C PRO A 51 -0.098 12.072 -5.920 1.00 0.00 C ATOM 786 O PRO A 51 -0.700 11.253 -5.227 1.00 0.00 O ATOM 787 CB PRO A 51 -1.575 14.111 -6.280 1.00 0.00 C ATOM 788 CG PRO A 51 -1.178 14.822 -7.564 1.00 0.00 C ATOM 789 CD PRO A 51 0.330 15.009 -7.547 1.00 0.00 C ATOM 0 HA PRO A 51 -0.283 13.686 -4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.278 13.303 -6.482 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.067 14.797 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.480 14.237 -8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.681 15.786 -7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.793 14.574 -8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.598 16.065 -7.534 1.00 0.00 H new ATOM 797 N SER A 52 0.737 11.757 -6.899 1.00 0.00 N ATOM 798 CA SER A 52 1.009 10.369 -7.233 1.00 0.00 C ATOM 799 C SER A 52 2.064 9.799 -6.283 1.00 0.00 C ATOM 800 O SER A 52 1.988 8.636 -5.890 1.00 0.00 O ATOM 801 CB SER A 52 1.473 10.233 -8.684 1.00 0.00 C ATOM 802 OG SER A 52 0.564 9.461 -9.465 1.00 0.00 O ATOM 0 H SER A 52 1.234 12.439 -7.472 1.00 0.00 H new ATOM 0 HA SER A 52 0.084 9.803 -7.121 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.579 11.224 -9.125 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.458 9.767 -8.708 1.00 0.00 H new ATOM 0 HG SER A 52 0.895 9.399 -10.385 1.00 0.00 H new ATOM 808 N PHE A 53 3.025 10.645 -5.941 1.00 0.00 N ATOM 809 CA PHE A 53 4.094 10.240 -5.044 1.00 0.00 C ATOM 810 C PHE A 53 3.744 10.567 -3.591 1.00 0.00 C ATOM 811 O PHE A 53 2.738 11.222 -3.323 1.00 0.00 O ATOM 812 CB PHE A 53 5.340 11.032 -5.447 1.00 0.00 C ATOM 813 CG PHE A 53 6.302 10.260 -6.352 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.075 9.269 -5.833 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.385 10.566 -7.674 1.00 0.00 C ATOM 816 CE1 PHE A 53 7.968 8.552 -6.673 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.278 9.849 -8.514 1.00 0.00 C ATOM 818 CZ PHE A 53 8.051 8.857 -7.996 1.00 0.00 C ATOM 0 H PHE A 53 3.086 11.609 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 53 4.254 9.164 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.029 11.943 -5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.871 11.337 -4.546 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.010 9.027 -4.782 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.772 11.354 -8.085 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.581 7.764 -6.261 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.343 10.092 -9.564 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.730 8.312 -8.635 1.00 0.00 H new ATOM 828 N PHE A 54 4.595 10.097 -2.690 1.00 0.00 N ATOM 829 CA PHE A 54 4.388 10.331 -1.271 1.00 0.00 C ATOM 830 C PHE A 54 5.696 10.172 -0.493 1.00 0.00 C ATOM 831 O PHE A 54 6.585 9.431 -0.911 1.00 0.00 O ATOM 832 CB PHE A 54 3.388 9.280 -0.786 1.00 0.00 C ATOM 833 CG PHE A 54 3.791 7.841 -1.111 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.804 7.247 -0.425 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.136 7.155 -2.086 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.178 5.910 -0.727 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.510 5.819 -2.387 1.00 0.00 C ATOM 838 CZ PHE A 54 4.523 5.225 -1.702 1.00 0.00 C ATOM 0 H PHE A 54 5.429 9.555 -2.916 1.00 0.00 H new ATOM 0 HA PHE A 54 4.022 11.345 -1.110 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.268 9.378 0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.416 9.484 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.324 7.792 0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.332 7.627 -2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.982 5.438 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.989 5.274 -3.161 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.808 4.209 -1.932 1.00 0.00 H new ATOM 848 N ASN A 55 5.773 10.880 0.624 1.00 0.00 N ATOM 849 CA ASN A 55 6.957 10.826 1.465 1.00 0.00 C ATOM 850 C ASN A 55 7.054 9.444 2.114 1.00 0.00 C ATOM 851 O ASN A 55 6.038 8.791 2.347 1.00 0.00 O ATOM 852 CB ASN A 55 6.887 11.869 2.582 1.00 0.00 C ATOM 853 CG ASN A 55 7.122 13.278 2.032 1.00 0.00 C ATOM 854 OD1 ASN A 55 8.233 13.779 1.993 1.00 0.00 O ATOM 855 ND2 ASN A 55 6.016 13.885 1.611 1.00 0.00 N ATOM 0 H ASN A 55 5.034 11.494 0.967 1.00 0.00 H new ATOM 0 HA ASN A 55 7.825 11.027 0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.912 11.822 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.634 11.643 3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.067 14.828 1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.117 13.407 1.673 1.00 0.00 H new ATOM 862 N CYS A 56 8.285 9.039 2.388 1.00 0.00 N ATOM 863 CA CYS A 56 8.528 7.747 3.006 1.00 0.00 C ATOM 864 C CYS A 56 8.566 7.939 4.523 1.00 0.00 C ATOM 865 O CYS A 56 8.332 9.040 5.019 1.00 0.00 O ATOM 866 CB CYS A 56 9.812 7.101 2.480 1.00 0.00 C ATOM 867 SG CYS A 56 11.272 7.994 3.128 1.00 0.00 S ATOM 0 H CYS A 56 9.125 9.583 2.193 1.00 0.00 H new ATOM 0 HA CYS A 56 7.722 7.061 2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.852 6.054 2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.818 7.119 1.390 1.00 0.00 H new ATOM 0 HG CYS A 56 11.385 9.139 2.522 1.00 0.00 H new ATOM 873 N ASP A 57 8.863 6.851 5.218 1.00 0.00 N ATOM 874 CA ASP A 57 8.934 6.886 6.669 1.00 0.00 C ATOM 875 C ASP A 57 10.033 5.933 7.144 1.00 0.00 C ATOM 876 O ASP A 57 10.797 5.409 6.336 1.00 0.00 O ATOM 877 CB ASP A 57 7.614 6.436 7.296 1.00 0.00 C ATOM 878 CG ASP A 57 6.728 7.568 7.822 1.00 0.00 C ATOM 879 OD1 ASP A 57 7.307 8.592 8.243 1.00 0.00 O ATOM 880 OD2 ASP A 57 5.492 7.384 7.789 1.00 0.00 O ATOM 0 H ASP A 57 9.057 5.940 4.803 1.00 0.00 H new ATOM 0 HA ASP A 57 9.145 7.912 6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.051 5.869 6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.833 5.755 8.118 1.00 0.00 H new ATOM 885 N ALA A 58 10.076 5.737 8.454 1.00 0.00 N ATOM 886 CA ALA A 58 11.068 4.856 9.047 1.00 0.00 C ATOM 887 C ALA A 58 10.614 3.404 8.888 1.00 0.00 C ATOM 888 O ALA A 58 11.379 2.478 9.153 1.00 0.00 O ATOM 889 CB ALA A 58 11.284 5.243 10.511 1.00 0.00 C ATOM 0 H ALA A 58 9.440 6.173 9.121 1.00 0.00 H new ATOM 0 HA ALA A 58 12.026 4.959 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.028 4.582 10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.634 6.274 10.567 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.344 5.149 11.055 1.00 0.00 H new ATOM 895 N ALA A 59 9.370 3.250 8.457 1.00 0.00 N ATOM 896 CA ALA A 59 8.805 1.926 8.260 1.00 0.00 C ATOM 897 C ALA A 59 8.604 1.680 6.763 1.00 0.00 C ATOM 898 O ALA A 59 8.775 0.559 6.286 1.00 0.00 O ATOM 899 CB ALA A 59 7.501 1.804 9.051 1.00 0.00 C ATOM 0 H ALA A 59 8.738 4.020 8.239 1.00 0.00 H new ATOM 0 HA ALA A 59 9.485 1.159 8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.077 0.811 8.903 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.703 1.958 10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.793 2.556 8.703 1.00 0.00 H new ATOM 905 N LEU A 60 8.244 2.746 6.064 1.00 0.00 N ATOM 906 CA LEU A 60 8.018 2.660 4.631 1.00 0.00 C ATOM 907 C LEU A 60 9.357 2.451 3.919 1.00 0.00 C ATOM 908 O LEU A 60 9.407 1.849 2.848 1.00 0.00 O ATOM 909 CB LEU A 60 7.243 3.882 4.136 1.00 0.00 C ATOM 910 CG LEU A 60 5.717 3.767 4.168 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.059 5.101 3.811 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.234 2.629 3.266 1.00 0.00 C ATOM 0 H LEU A 60 8.103 3.674 6.463 1.00 0.00 H new ATOM 0 HA LEU A 60 7.393 1.798 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.535 4.742 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.550 4.092 3.111 1.00 0.00 H new ATOM 0 HG LEU A 60 5.414 3.521 5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.975 4.992 3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.367 5.862 4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.366 5.401 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.146 2.569 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.549 2.820 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.663 1.687 3.608 1.00 0.00 H new ATOM 924 N GLN A 61 10.408 2.961 4.544 1.00 0.00 N ATOM 925 CA GLN A 61 11.743 2.838 3.984 1.00 0.00 C ATOM 926 C GLN A 61 12.196 1.377 4.006 1.00 0.00 C ATOM 927 O GLN A 61 12.431 0.780 2.956 1.00 0.00 O ATOM 928 CB GLN A 61 12.736 3.730 4.732 1.00 0.00 C ATOM 929 CG GLN A 61 13.016 5.015 3.949 1.00 0.00 C ATOM 930 CD GLN A 61 14.498 5.121 3.583 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.328 4.336 4.012 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.782 6.132 2.767 1.00 0.00 N ATOM 0 H GLN A 61 10.362 3.460 5.432 1.00 0.00 H new ATOM 0 HA GLN A 61 11.712 3.173 2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.338 3.979 5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.668 3.188 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.411 5.032 3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.722 5.879 4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.039 6.752 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.743 6.287 2.463 1.00 0.00 H new ATOM 941 N LYS A 62 12.304 0.842 5.213 1.00 0.00 N ATOM 942 CA LYS A 62 12.724 -0.539 5.385 1.00 0.00 C ATOM 943 C LYS A 62 12.072 -1.404 4.305 1.00 0.00 C ATOM 944 O LYS A 62 12.638 -2.412 3.886 1.00 0.00 O ATOM 945 CB LYS A 62 12.436 -1.013 6.811 1.00 0.00 C ATOM 946 CG LYS A 62 13.661 -0.829 7.708 1.00 0.00 C ATOM 947 CD LYS A 62 13.885 -2.059 8.590 1.00 0.00 C ATOM 948 CE LYS A 62 15.297 -2.618 8.405 1.00 0.00 C ATOM 949 NZ LYS A 62 16.146 -2.276 9.568 1.00 0.00 N ATOM 0 H LYS A 62 12.108 1.340 6.082 1.00 0.00 H new ATOM 0 HA LYS A 62 13.803 -0.628 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.594 -0.455 7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.146 -2.063 6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.543 -0.653 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.528 0.053 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.729 -1.794 9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.151 -2.826 8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.253 -3.700 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.738 -2.214 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.101 -2.663 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.202 -1.242 9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.732 -2.683 10.431 1.00 0.00 H new ATOM 963 N VAL A 63 10.889 -0.979 3.886 1.00 0.00 N ATOM 964 CA VAL A 63 10.153 -1.703 2.863 1.00 0.00 C ATOM 965 C VAL A 63 10.727 -1.357 1.487 1.00 0.00 C ATOM 966 O VAL A 63 11.323 -2.208 0.828 1.00 0.00 O ATOM 967 CB VAL A 63 8.658 -1.399 2.980 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.876 -2.049 1.837 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.114 -1.842 4.339 1.00 0.00 C ATOM 0 H VAL A 63 10.422 -0.143 4.236 1.00 0.00 H new ATOM 0 HA VAL A 63 10.264 -2.778 3.001 1.00 0.00 H new ATOM 0 HB VAL A 63 8.528 -0.320 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.816 -1.818 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.237 -1.664 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.016 -3.129 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.050 -1.615 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.263 -2.915 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.641 -1.312 5.132 1.00 0.00 H new ATOM 979 N PHE A 64 10.528 -0.107 1.095 1.00 0.00 N ATOM 980 CA PHE A 64 11.019 0.361 -0.190 1.00 0.00 C ATOM 981 C PHE A 64 12.489 0.773 -0.099 1.00 0.00 C ATOM 982 O PHE A 64 13.353 0.143 -0.707 1.00 0.00 O ATOM 983 CB PHE A 64 10.181 1.584 -0.570 1.00 0.00 C ATOM 984 CG PHE A 64 8.676 1.315 -0.625 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.166 0.503 -1.590 1.00 0.00 C ATOM 986 CD2 PHE A 64 7.849 1.886 0.290 1.00 0.00 C ATOM 987 CE1 PHE A 64 6.769 0.253 -1.641 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.452 1.636 0.239 1.00 0.00 C ATOM 989 CZ PHE A 64 5.941 0.825 -0.726 1.00 0.00 C ATOM 0 H PHE A 64 10.034 0.596 1.645 1.00 0.00 H new ATOM 0 HA PHE A 64 10.938 -0.434 -0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.371 2.380 0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.510 1.949 -1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.823 0.049 -2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.254 2.530 1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.364 -0.392 -2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.795 2.090 0.966 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.879 0.635 -0.766 1.00 0.00 H new ATOM 999 N GLY A 65 12.729 1.828 0.667 1.00 0.00 N ATOM 1000 CA GLY A 65 14.080 2.332 0.846 1.00 0.00 C ATOM 1001 C GLY A 65 14.296 3.617 0.045 1.00 0.00 C ATOM 1002 O GLY A 65 15.413 4.127 -0.028 1.00 0.00 O ATOM 0 H GLY A 65 12.010 2.347 1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.264 2.523 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.799 1.576 0.529 1.00 0.00 H new ATOM 1006 N GLU A 66 13.209 4.105 -0.535 1.00 0.00 N ATOM 1007 CA GLU A 66 13.266 5.322 -1.327 1.00 0.00 C ATOM 1008 C GLU A 66 12.570 6.468 -0.591 1.00 0.00 C ATOM 1009 O GLU A 66 11.473 6.295 -0.062 1.00 0.00 O ATOM 1010 CB GLU A 66 12.650 5.105 -2.710 1.00 0.00 C ATOM 1011 CG GLU A 66 13.358 3.971 -3.454 1.00 0.00 C ATOM 1012 CD GLU A 66 12.965 2.609 -2.879 1.00 0.00 C ATOM 1013 OE1 GLU A 66 11.914 2.091 -3.314 1.00 0.00 O ATOM 1014 OE2 GLU A 66 13.725 2.116 -2.018 1.00 0.00 O ATOM 0 H GLU A 66 12.284 3.680 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 66 14.313 5.591 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.590 4.871 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.719 6.025 -3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.102 4.010 -4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.438 4.102 -3.382 1.00 0.00 H new ATOM 1021 N GLU A 67 13.236 7.613 -0.579 1.00 0.00 N ATOM 1022 CA GLU A 67 12.695 8.788 0.084 1.00 0.00 C ATOM 1023 C GLU A 67 11.191 8.897 -0.174 1.00 0.00 C ATOM 1024 O GLU A 67 10.419 9.176 0.742 1.00 0.00 O ATOM 1025 CB GLU A 67 13.422 10.056 -0.367 1.00 0.00 C ATOM 1026 CG GLU A 67 13.346 10.221 -1.887 1.00 0.00 C ATOM 1027 CD GLU A 67 14.056 11.500 -2.335 1.00 0.00 C ATOM 1028 OE1 GLU A 67 13.972 12.491 -1.578 1.00 0.00 O ATOM 1029 OE2 GLU A 67 14.666 11.457 -3.426 1.00 0.00 O ATOM 0 H GLU A 67 14.146 7.753 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 67 12.853 8.681 1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.980 10.925 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.465 10.012 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.801 9.358 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.303 10.250 -2.202 1.00 0.00 H new ATOM 1036 N LYS A 68 10.820 8.672 -1.426 1.00 0.00 N ATOM 1037 CA LYS A 68 9.422 8.741 -1.816 1.00 0.00 C ATOM 1038 C LYS A 68 9.145 7.694 -2.896 1.00 0.00 C ATOM 1039 O LYS A 68 10.070 7.208 -3.546 1.00 0.00 O ATOM 1040 CB LYS A 68 9.052 10.166 -2.232 1.00 0.00 C ATOM 1041 CG LYS A 68 9.808 10.582 -3.496 1.00 0.00 C ATOM 1042 CD LYS A 68 8.943 11.483 -4.380 1.00 0.00 C ATOM 1043 CE LYS A 68 9.326 11.335 -5.854 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.295 12.383 -6.246 1.00 0.00 N ATOM 0 H LYS A 68 11.463 8.442 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 68 8.778 8.503 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.978 10.230 -2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.284 10.857 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.723 11.107 -3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.105 9.695 -4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.892 11.228 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.061 12.522 -4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.758 10.349 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.434 11.405 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.544 12.268 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.870 13.321 -6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.153 12.298 -5.664 1.00 0.00 H new ATOM 1058 N LEU A 69 7.869 7.376 -3.054 1.00 0.00 N ATOM 1059 CA LEU A 69 7.459 6.395 -4.044 1.00 0.00 C ATOM 1060 C LEU A 69 6.111 6.808 -4.638 1.00 0.00 C ATOM 1061 O LEU A 69 5.423 7.666 -4.087 1.00 0.00 O ATOM 1062 CB LEU A 69 7.459 4.990 -3.438 1.00 0.00 C ATOM 1063 CG LEU A 69 8.097 3.892 -4.291 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.079 3.057 -3.467 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.027 3.024 -4.958 1.00 0.00 C ATOM 0 H LEU A 69 7.105 7.781 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 69 8.174 6.363 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.980 5.028 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.428 4.706 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 69 8.669 4.368 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.518 2.284 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.869 3.701 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.551 2.590 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.507 2.251 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.409 2.556 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.402 3.646 -5.599 1.00 0.00 H new ATOM 1077 N LYS A 70 5.773 6.178 -5.753 1.00 0.00 N ATOM 1078 CA LYS A 70 4.519 6.469 -6.427 1.00 0.00 C ATOM 1079 C LYS A 70 3.397 5.651 -5.784 1.00 0.00 C ATOM 1080 O LYS A 70 3.653 4.623 -5.160 1.00 0.00 O ATOM 1081 CB LYS A 70 4.657 6.246 -7.934 1.00 0.00 C ATOM 1082 CG LYS A 70 5.931 6.901 -8.472 1.00 0.00 C ATOM 1083 CD LYS A 70 6.133 6.573 -9.953 1.00 0.00 C ATOM 1084 CE LYS A 70 7.612 6.330 -10.263 1.00 0.00 C ATOM 1085 NZ LYS A 70 7.762 5.656 -11.572 1.00 0.00 N ATOM 0 H LYS A 70 6.346 5.467 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 70 4.256 7.520 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.676 5.177 -8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.788 6.658 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.872 7.981 -8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.792 6.556 -7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.552 5.689 -10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.759 7.394 -10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.149 7.279 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.059 5.719 -9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.760 5.680 -11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.448 4.668 -11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.183 6.146 -12.283 1.00 0.00 H new ATOM 1099 N PHE A 71 2.178 6.139 -5.959 1.00 0.00 N ATOM 1100 CA PHE A 71 1.016 5.466 -5.404 1.00 0.00 C ATOM 1101 C PHE A 71 0.637 4.245 -6.243 1.00 0.00 C ATOM 1102 O PHE A 71 -0.137 3.397 -5.799 1.00 0.00 O ATOM 1103 CB PHE A 71 -0.139 6.469 -5.434 1.00 0.00 C ATOM 1104 CG PHE A 71 -0.252 7.327 -4.172 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.424 6.734 -2.960 1.00 0.00 C ATOM 1106 CD2 PHE A 71 -0.180 8.682 -4.262 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.529 7.529 -1.789 1.00 0.00 C ATOM 1108 CE2 PHE A 71 -0.285 9.477 -3.090 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.457 8.884 -1.878 1.00 0.00 C ATOM 0 H PHE A 71 1.970 6.992 -6.477 1.00 0.00 H new ATOM 0 HA PHE A 71 1.232 5.125 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.015 7.124 -6.296 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.074 5.927 -5.577 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.481 5.658 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.043 9.153 -5.224 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.666 7.058 -0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.228 10.553 -3.161 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.536 9.489 -0.987 1.00 0.00 H new ATOM 1119 N THR A 72 1.199 4.192 -7.442 1.00 0.00 N ATOM 1120 CA THR A 72 0.929 3.089 -8.347 1.00 0.00 C ATOM 1121 C THR A 72 2.079 2.080 -8.316 1.00 0.00 C ATOM 1122 O THR A 72 1.855 0.875 -8.416 1.00 0.00 O ATOM 1123 CB THR A 72 0.669 3.671 -9.738 1.00 0.00 C ATOM 1124 OG1 THR A 72 1.606 4.739 -9.848 1.00 0.00 O ATOM 1125 CG2 THR A 72 -0.694 4.358 -9.840 1.00 0.00 C ATOM 0 H THR A 72 1.840 4.896 -7.807 1.00 0.00 H new ATOM 0 HA THR A 72 0.042 2.534 -8.040 1.00 0.00 H new ATOM 0 HB THR A 72 0.731 2.876 -10.481 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.508 5.172 -10.722 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.828 4.753 -10.847 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.482 3.636 -9.626 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.745 5.175 -9.120 1.00 0.00 H new ATOM 1133 N MET A 73 3.285 2.610 -8.176 1.00 0.00 N ATOM 1134 CA MET A 73 4.470 1.771 -8.130 1.00 0.00 C ATOM 1135 C MET A 73 4.426 0.825 -6.929 1.00 0.00 C ATOM 1136 O MET A 73 4.995 -0.265 -6.971 1.00 0.00 O ATOM 1137 CB MET A 73 5.717 2.653 -8.039 1.00 0.00 C ATOM 1138 CG MET A 73 5.899 3.479 -9.314 1.00 0.00 C ATOM 1139 SD MET A 73 6.640 2.475 -10.591 1.00 0.00 S ATOM 1140 CE MET A 73 8.142 1.981 -9.764 1.00 0.00 C ATOM 0 H MET A 73 3.467 3.610 -8.093 1.00 0.00 H new ATOM 0 HA MET A 73 4.503 1.172 -9.040 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.634 3.318 -7.179 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.596 2.030 -7.877 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.935 3.859 -9.652 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.529 4.345 -9.109 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.940 1.865 -10.498 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.425 2.743 -9.038 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.980 1.033 -9.251 1.00 0.00 H new ATOM 1150 N VAL A 74 3.744 1.275 -5.886 1.00 0.00 N ATOM 1151 CA VAL A 74 3.617 0.482 -4.675 1.00 0.00 C ATOM 1152 C VAL A 74 3.291 -0.965 -5.050 1.00 0.00 C ATOM 1153 O VAL A 74 3.668 -1.895 -4.338 1.00 0.00 O ATOM 1154 CB VAL A 74 2.576 1.108 -3.745 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.248 0.173 -2.580 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.044 2.473 -3.238 1.00 0.00 C ATOM 0 H VAL A 74 3.273 2.179 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 74 4.558 0.471 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 74 1.662 1.260 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.506 0.642 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.851 -0.765 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.154 -0.026 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.286 2.896 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.978 2.356 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.202 3.141 -4.085 1.00 0.00 H new ATOM 1166 N SER A 75 2.594 -1.110 -6.167 1.00 0.00 N ATOM 1167 CA SER A 75 2.212 -2.428 -6.645 1.00 0.00 C ATOM 1168 C SER A 75 3.455 -3.204 -7.088 1.00 0.00 C ATOM 1169 O SER A 75 3.623 -4.369 -6.730 1.00 0.00 O ATOM 1170 CB SER A 75 1.211 -2.328 -7.798 1.00 0.00 C ATOM 1171 OG SER A 75 1.729 -1.575 -8.891 1.00 0.00 O ATOM 0 H SER A 75 2.284 -0.337 -6.755 1.00 0.00 H new ATOM 0 HA SER A 75 1.730 -2.962 -5.826 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.950 -3.330 -8.139 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.292 -1.863 -7.441 1.00 0.00 H new ATOM 0 HG SER A 75 1.304 -0.692 -8.911 1.00 0.00 H new ATOM 1177 N GLN A 76 4.293 -2.527 -7.859 1.00 0.00 N ATOM 1178 CA GLN A 76 5.514 -3.138 -8.354 1.00 0.00 C ATOM 1179 C GLN A 76 6.663 -2.898 -7.373 1.00 0.00 C ATOM 1180 O GLN A 76 7.823 -2.822 -7.776 1.00 0.00 O ATOM 1181 CB GLN A 76 5.865 -2.612 -9.747 1.00 0.00 C ATOM 1182 CG GLN A 76 6.339 -1.160 -9.682 1.00 0.00 C ATOM 1183 CD GLN A 76 6.351 -0.523 -11.074 1.00 0.00 C ATOM 1184 OE1 GLN A 76 5.357 -0.007 -11.557 1.00 0.00 O ATOM 1185 NE2 GLN A 76 7.529 -0.589 -11.688 1.00 0.00 N ATOM 0 H GLN A 76 4.150 -1.561 -8.153 1.00 0.00 H new ATOM 0 HA GLN A 76 5.351 -4.213 -8.437 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.644 -3.233 -10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.993 -2.685 -10.397 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.685 -0.589 -9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.339 -1.119 -9.251 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.321 -1.036 -11.226 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.641 -0.193 -12.621 1.00 0.00 H new ATOM 1194 N LYS A 77 6.301 -2.786 -6.103 1.00 0.00 N ATOM 1195 CA LYS A 77 7.287 -2.556 -5.061 1.00 0.00 C ATOM 1196 C LYS A 77 6.983 -3.464 -3.868 1.00 0.00 C ATOM 1197 O LYS A 77 7.857 -4.191 -3.397 1.00 0.00 O ATOM 1198 CB LYS A 77 7.352 -1.070 -4.702 1.00 0.00 C ATOM 1199 CG LYS A 77 7.820 -0.237 -5.897 1.00 0.00 C ATOM 1200 CD LYS A 77 9.282 0.184 -5.733 1.00 0.00 C ATOM 1201 CE LYS A 77 9.590 1.430 -6.566 1.00 0.00 C ATOM 1202 NZ LYS A 77 11.052 1.591 -6.735 1.00 0.00 N ATOM 0 H LYS A 77 5.338 -2.850 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 77 8.284 -2.818 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.369 -0.727 -4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.033 -0.924 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.705 -0.814 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.192 0.648 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.491 0.384 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.936 -0.633 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.112 1.350 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.175 2.312 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.244 2.441 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.501 1.689 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.439 0.756 -7.220 1.00 0.00 H new ATOM 1216 N ILE A 78 5.741 -3.393 -3.412 1.00 0.00 N ATOM 1217 CA ILE A 78 5.310 -4.199 -2.283 1.00 0.00 C ATOM 1218 C ILE A 78 5.309 -5.675 -2.686 1.00 0.00 C ATOM 1219 O ILE A 78 5.543 -6.550 -1.854 1.00 0.00 O ATOM 1220 CB ILE A 78 3.962 -3.705 -1.755 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.850 -3.948 -2.777 1.00 0.00 C ATOM 1222 CG2 ILE A 78 4.043 -2.237 -1.333 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.911 -5.063 -2.312 1.00 0.00 C ATOM 0 H ILE A 78 5.019 -2.789 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 78 6.009 -4.095 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 78 3.712 -4.282 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.283 -3.029 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.288 -4.214 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.071 -1.911 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.789 -2.125 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.327 -1.627 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.130 -5.215 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.477 -5.986 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.456 -4.783 -1.362 1.00 0.00 H new ATOM 1235 N SER A 79 5.044 -5.906 -3.964 1.00 0.00 N ATOM 1236 CA SER A 79 5.010 -7.261 -4.488 1.00 0.00 C ATOM 1237 C SER A 79 6.242 -8.036 -4.017 1.00 0.00 C ATOM 1238 O SER A 79 6.180 -9.249 -3.823 1.00 0.00 O ATOM 1239 CB SER A 79 4.936 -7.258 -6.016 1.00 0.00 C ATOM 1240 OG SER A 79 6.083 -6.652 -6.605 1.00 0.00 O ATOM 0 H SER A 79 4.851 -5.178 -4.652 1.00 0.00 H new ATOM 0 HA SER A 79 4.114 -7.752 -4.109 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.842 -8.282 -6.376 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.040 -6.725 -6.334 1.00 0.00 H new ATOM 0 HG SER A 79 5.998 -6.671 -7.581 1.00 0.00 H new ATOM 1246 N HIS A 80 7.333 -7.303 -3.847 1.00 0.00 N ATOM 1247 CA HIS A 80 8.578 -7.906 -3.402 1.00 0.00 C ATOM 1248 C HIS A 80 8.410 -8.439 -1.978 1.00 0.00 C ATOM 1249 O HIS A 80 8.902 -9.519 -1.653 1.00 0.00 O ATOM 1250 CB HIS A 80 9.738 -6.917 -3.532 1.00 0.00 C ATOM 1251 CG HIS A 80 10.649 -7.189 -4.705 1.00 0.00 C ATOM 1252 ND1 HIS A 80 10.176 -7.569 -5.949 1.00 0.00 N ATOM 1253 CD2 HIS A 80 12.007 -7.132 -4.810 1.00 0.00 C ATOM 1254 CE1 HIS A 80 11.212 -7.731 -6.758 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.346 -7.461 -6.051 1.00 0.00 N ATOM 0 H HIS A 80 7.380 -6.297 -4.009 1.00 0.00 H new ATOM 0 HA HIS A 80 8.825 -8.752 -4.043 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.334 -5.909 -3.625 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.327 -6.941 -2.615 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.691 -6.865 -4.018 1.00 0.00 H new ATOM 0 HE1 HIS A 80 11.166 -8.025 -7.796 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.298 -7.505 -6.415 1.00 0.00 H new ATOM 1263 N HIS A 81 7.713 -7.658 -1.166 1.00 0.00 N ATOM 1264 CA HIS A 81 7.474 -8.037 0.216 1.00 0.00 C ATOM 1265 C HIS A 81 6.413 -9.138 0.269 1.00 0.00 C ATOM 1266 O HIS A 81 6.472 -10.022 1.124 1.00 0.00 O ATOM 1267 CB HIS A 81 7.104 -6.816 1.059 1.00 0.00 C ATOM 1268 CG HIS A 81 8.220 -5.809 1.205 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.231 -5.941 2.141 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.473 -4.654 0.525 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.050 -4.907 2.020 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.578 -4.110 1.019 1.00 0.00 N ATOM 0 H HIS A 81 7.306 -6.764 -1.439 1.00 0.00 H new ATOM 0 HA HIS A 81 8.389 -8.440 0.650 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.242 -6.324 0.609 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.799 -7.151 2.050 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.875 -4.251 -0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.936 -4.727 2.610 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.004 -3.239 0.702 1.00 0.00 H new ATOM 1280 N LEU A 82 5.467 -9.050 -0.654 1.00 0.00 N ATOM 1281 CA LEU A 82 4.394 -10.027 -0.723 1.00 0.00 C ATOM 1282 C LEU A 82 4.995 -11.433 -0.797 1.00 0.00 C ATOM 1283 O LEU A 82 5.758 -11.738 -1.712 1.00 0.00 O ATOM 1284 CB LEU A 82 3.447 -9.702 -1.879 1.00 0.00 C ATOM 1285 CG LEU A 82 2.838 -8.298 -1.873 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.728 -8.178 -2.919 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.352 -7.918 -0.474 1.00 0.00 C ATOM 0 H LEU A 82 5.421 -8.316 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 82 3.784 -9.987 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.989 -9.838 -2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.635 -10.429 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 82 3.616 -7.586 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.312 -7.171 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.138 -8.377 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.942 -8.901 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.924 -6.916 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.594 -8.629 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.192 -7.938 0.221 1.00 0.00 H new ATOM 1299 N SER A 83 4.628 -12.250 0.179 1.00 0.00 N ATOM 1300 CA SER A 83 5.120 -13.616 0.236 1.00 0.00 C ATOM 1301 C SER A 83 3.946 -14.593 0.326 1.00 0.00 C ATOM 1302 O SER A 83 2.824 -14.193 0.631 1.00 0.00 O ATOM 1303 CB SER A 83 6.065 -13.811 1.424 1.00 0.00 C ATOM 1304 OG SER A 83 7.425 -13.575 1.069 1.00 0.00 O ATOM 0 H SER A 83 3.996 -11.992 0.937 1.00 0.00 H new ATOM 0 HA SER A 83 5.681 -13.816 -0.677 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.778 -13.135 2.230 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.961 -14.826 1.807 1.00 0.00 H new ATOM 0 HG SER A 83 7.996 -13.708 1.854 1.00 0.00 H new ATOM 1310 N PRO A 84 4.253 -15.888 0.047 1.00 0.00 N ATOM 1311 CA PRO A 84 3.237 -16.925 0.093 1.00 0.00 C ATOM 1312 C PRO A 84 2.884 -17.283 1.538 1.00 0.00 C ATOM 1313 O PRO A 84 3.746 -17.719 2.301 1.00 0.00 O ATOM 1314 CB PRO A 84 3.829 -18.091 -0.681 1.00 0.00 C ATOM 1315 CG PRO A 84 5.327 -17.839 -0.733 1.00 0.00 C ATOM 1316 CD PRO A 84 5.572 -16.397 -0.319 1.00 0.00 C ATOM 0 HA PRO A 84 2.293 -16.609 -0.351 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.609 -19.038 -0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.407 -18.148 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.852 -18.522 -0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.709 -18.018 -1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.266 -16.338 0.519 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.007 -15.819 -1.134 1.00 0.00 H new ATOM 1324 N PRO A 85 1.583 -17.082 1.879 1.00 0.00 N ATOM 1325 CA PRO A 85 1.107 -17.380 3.219 1.00 0.00 C ATOM 1326 C PRO A 85 0.964 -18.889 3.428 1.00 0.00 C ATOM 1327 O PRO A 85 1.099 -19.665 2.484 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.213 -16.636 3.342 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.654 -16.332 1.919 1.00 0.00 C ATOM 1330 CD PRO A 85 0.536 -16.568 1.002 1.00 0.00 C ATOM 0 HA PRO A 85 1.804 -17.059 3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.956 -17.242 3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.092 -15.719 3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.489 -16.972 1.633 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.000 -15.301 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.294 -17.281 0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.847 -15.646 0.512 1.00 0.00 H new