USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.47 USER MOD Single : A 27 TYR OH : rot 60:sc= -5.85! USER MOD Single : A 28 SER OG : rot 45:sc= 0.131 USER MOD Single : A 29 THR OG1 : rot 110:sc= 0.39! USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 0.00233 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 33 THR OG1 : rot -37:sc= 0.003 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -114:sc= -1.15! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -133:sc= -0.0557 (180deg=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.104) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00726 X(o=-0.0073,f=0) USER MOD Single : A 58 THR OG1 : rot 50:sc= 0.144 USER MOD Single : A 59 THR OG1 : rot -156:sc= 0.493 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= -0.0819 (180deg=-0.329) USER MOD Single : A 66 CYS SG : rot 60:sc= -9.5! USER MOD Single : A 68 ASN : amide:sc= -9.98! C(o=-10!,f=-4.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 80:sc= -3.35! USER MOD Single : A 75 TYR OH : rot 111:sc= 1.17 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N PHE A 13 4.549 -10.119 7.863 1.00 0.00 N ATOM 103 CA PHE A 13 4.386 -9.745 6.468 1.00 0.00 C ATOM 104 C PHE A 13 5.357 -10.521 5.575 1.00 0.00 C ATOM 105 O PHE A 13 4.946 -11.132 4.590 1.00 0.00 O ATOM 106 CB PHE A 13 4.701 -8.252 6.366 1.00 0.00 C ATOM 107 CG PHE A 13 5.340 -7.840 5.039 1.00 0.00 C ATOM 108 CD1 PHE A 13 4.554 -7.505 3.980 1.00 0.00 C ATOM 109 CD2 PHE A 13 6.694 -7.808 4.917 1.00 0.00 C ATOM 110 CE1 PHE A 13 5.148 -7.123 2.748 1.00 0.00 C ATOM 111 CE2 PHE A 13 7.288 -7.426 3.685 1.00 0.00 C ATOM 112 CZ PHE A 13 6.502 -7.091 2.626 1.00 0.00 C ATOM 0 HA PHE A 13 3.372 -9.971 6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.780 -7.687 6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.370 -7.976 7.181 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.479 -7.530 4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.318 -8.073 5.758 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.524 -6.858 1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.363 -7.401 3.589 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.953 -6.800 1.689 1.00 0.00 H new ATOM 122 N ARG A 14 6.626 -10.471 5.952 1.00 0.00 N ATOM 123 CA ARG A 14 7.658 -11.162 5.198 1.00 0.00 C ATOM 124 C ARG A 14 7.375 -12.665 5.165 1.00 0.00 C ATOM 125 O ARG A 14 7.763 -13.352 4.221 1.00 0.00 O ATOM 126 CB ARG A 14 9.040 -10.924 5.810 1.00 0.00 C ATOM 127 CG ARG A 14 9.995 -12.070 5.472 1.00 0.00 C ATOM 128 CD ARG A 14 11.434 -11.716 5.854 1.00 0.00 C ATOM 129 NE ARG A 14 12.104 -12.895 6.447 1.00 0.00 N ATOM 130 CZ ARG A 14 11.973 -13.272 7.737 1.00 0.00 C ATOM 131 NH1 ARG A 14 11.195 -12.563 8.582 1.00 0.00 N ATOM 132 NH2 ARG A 14 12.618 -14.343 8.160 1.00 0.00 N ATOM 0 H ARG A 14 6.963 -9.963 6.770 1.00 0.00 H new ATOM 0 HA ARG A 14 7.649 -10.765 4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.449 -9.984 5.439 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.951 -10.828 6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.687 -12.973 6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.942 -12.290 4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.981 -11.381 4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.438 -10.889 6.565 1.00 0.00 H new ATOM 0 HE ARG A 14 12.703 -13.458 5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.701 -11.736 8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.101 -12.854 9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.205 -14.873 7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.530 -14.641 9.131 1.00 0.00 H new ATOM 146 N LYS A 15 6.702 -13.132 6.206 1.00 0.00 N ATOM 147 CA LYS A 15 6.362 -14.541 6.308 1.00 0.00 C ATOM 148 C LYS A 15 5.611 -14.972 5.047 1.00 0.00 C ATOM 149 O LYS A 15 6.056 -15.868 4.331 1.00 0.00 O ATOM 150 CB LYS A 15 5.597 -14.816 7.604 1.00 0.00 C ATOM 151 CG LYS A 15 4.582 -15.944 7.412 1.00 0.00 C ATOM 152 CD LYS A 15 3.182 -15.384 7.153 1.00 0.00 C ATOM 153 CE LYS A 15 2.254 -15.655 8.339 1.00 0.00 C ATOM 154 NZ LYS A 15 1.703 -17.027 8.263 1.00 0.00 N ATOM 0 H LYS A 15 6.383 -12.559 6.987 1.00 0.00 H new ATOM 0 HA LYS A 15 7.266 -15.148 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.298 -15.083 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.083 -13.910 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.886 -16.573 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.566 -16.578 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.244 -14.311 6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.767 -15.835 6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.801 -15.528 9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.440 -14.930 8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.075 -17.195 9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.164 -17.136 7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.482 -17.715 8.280 1.00 0.00 H new ATOM 168 N LYS A 16 4.485 -14.314 4.813 1.00 0.00 N ATOM 169 CA LYS A 16 3.668 -14.618 3.651 1.00 0.00 C ATOM 170 C LYS A 16 4.207 -13.855 2.440 1.00 0.00 C ATOM 171 O LYS A 16 4.126 -14.337 1.311 1.00 0.00 O ATOM 172 CB LYS A 16 2.192 -14.341 3.946 1.00 0.00 C ATOM 173 CG LYS A 16 1.286 -15.206 3.069 1.00 0.00 C ATOM 174 CD LYS A 16 1.476 -16.692 3.382 1.00 0.00 C ATOM 175 CE LYS A 16 2.282 -17.385 2.281 1.00 0.00 C ATOM 176 NZ LYS A 16 1.475 -18.445 1.637 1.00 0.00 N ATOM 0 H LYS A 16 4.119 -13.571 5.409 1.00 0.00 H new ATOM 0 HA LYS A 16 3.727 -15.680 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.984 -14.540 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.974 -13.287 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.245 -14.927 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.507 -15.021 2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.988 -16.804 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.503 -17.173 3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.594 -16.654 1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.189 -17.817 2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.037 -18.905 0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.199 -19.151 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.622 -18.025 1.217 1.00 0.00 H new ATOM 190 N PHE A 17 4.745 -12.676 2.715 1.00 0.00 N ATOM 191 CA PHE A 17 5.297 -11.841 1.662 1.00 0.00 C ATOM 192 C PHE A 17 6.764 -12.188 1.400 1.00 0.00 C ATOM 193 O PHE A 17 7.544 -11.331 0.985 1.00 0.00 O ATOM 194 CB PHE A 17 5.207 -10.392 2.146 1.00 0.00 C ATOM 195 CG PHE A 17 3.788 -9.819 2.134 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.825 -10.372 2.918 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.491 -8.757 1.339 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.508 -9.841 2.907 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.174 -8.225 1.327 1.00 0.00 C ATOM 200 CZ PHE A 17 1.210 -8.778 2.112 1.00 0.00 C ATOM 0 H PHE A 17 4.810 -12.279 3.652 1.00 0.00 H new ATOM 0 HA PHE A 17 4.743 -11.996 0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.603 -10.333 3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.845 -9.770 1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.062 -11.216 3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.256 -8.318 0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.743 -10.281 3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.938 -7.382 0.695 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.209 -8.373 2.104 1.00 0.00 H new ATOM 210 N LYS A 18 7.096 -13.445 1.652 1.00 0.00 N ATOM 211 CA LYS A 18 8.455 -13.916 1.449 1.00 0.00 C ATOM 212 C LYS A 18 9.060 -13.205 0.237 1.00 0.00 C ATOM 213 O LYS A 18 10.161 -13.540 -0.198 1.00 0.00 O ATOM 214 CB LYS A 18 8.484 -15.442 1.343 1.00 0.00 C ATOM 215 CG LYS A 18 9.709 -16.018 2.056 1.00 0.00 C ATOM 216 CD LYS A 18 9.427 -17.429 2.576 1.00 0.00 C ATOM 217 CE LYS A 18 9.845 -17.567 4.041 1.00 0.00 C ATOM 218 NZ LYS A 18 9.775 -18.982 4.470 1.00 0.00 N ATOM 0 H LYS A 18 6.447 -14.153 1.995 1.00 0.00 H new ATOM 0 HA LYS A 18 9.076 -13.668 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.576 -15.858 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.497 -15.737 0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.556 -16.042 1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.989 -15.370 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.365 -17.652 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.965 -18.158 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.860 -17.191 4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.195 -16.958 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.062 -19.057 5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.801 -19.329 4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.413 -19.555 3.882 1.00 0.00 H new ATOM 232 N TYR A 19 8.315 -12.236 -0.274 1.00 0.00 N ATOM 233 CA TYR A 19 8.764 -11.474 -1.426 1.00 0.00 C ATOM 234 C TYR A 19 10.019 -10.664 -1.093 1.00 0.00 C ATOM 235 O TYR A 19 10.005 -9.837 -0.184 1.00 0.00 O ATOM 236 CB TYR A 19 7.625 -10.511 -1.766 1.00 0.00 C ATOM 237 CG TYR A 19 8.095 -9.138 -2.250 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.911 -9.039 -3.359 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.703 -7.998 -1.579 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.353 -7.747 -3.815 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.145 -6.705 -2.035 1.00 0.00 C ATOM 242 CZ TYR A 19 8.948 -6.644 -3.131 1.00 0.00 C ATOM 243 OH TYR A 19 9.365 -5.423 -3.562 1.00 0.00 O ATOM 0 H TYR A 19 7.402 -11.961 0.089 1.00 0.00 H new ATOM 0 HA TYR A 19 9.009 -12.140 -2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.999 -10.962 -2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.999 -10.379 -0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.218 -9.931 -3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.064 -8.075 -0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.992 -7.656 -4.681 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.846 -5.805 -1.519 1.00 0.00 H new ATOM 0 HH TYR A 19 8.997 -4.727 -2.978 1.00 0.00 H new ATOM 253 N ASP A 20 11.075 -10.931 -1.848 1.00 0.00 N ATOM 254 CA ASP A 20 12.335 -10.238 -1.645 1.00 0.00 C ATOM 255 C ASP A 20 12.466 -9.115 -2.675 1.00 0.00 C ATOM 256 O ASP A 20 12.863 -9.356 -3.814 1.00 0.00 O ATOM 257 CB ASP A 20 13.521 -11.187 -1.826 1.00 0.00 C ATOM 258 CG ASP A 20 13.894 -12.000 -0.585 1.00 0.00 C ATOM 259 OD1 ASP A 20 14.052 -11.368 0.481 1.00 0.00 O ATOM 260 OD2 ASP A 20 14.011 -13.236 -0.731 1.00 0.00 O ATOM 0 H ASP A 20 11.083 -11.618 -2.602 1.00 0.00 H new ATOM 0 HA ASP A 20 12.342 -9.842 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.294 -11.877 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.389 -10.605 -2.135 1.00 0.00 H new ATOM 265 N GLY A 21 12.125 -7.911 -2.239 1.00 0.00 N ATOM 266 CA GLY A 21 12.200 -6.750 -3.109 1.00 0.00 C ATOM 267 C GLY A 21 12.525 -5.486 -2.310 1.00 0.00 C ATOM 268 O GLY A 21 12.868 -5.563 -1.132 1.00 0.00 O ATOM 0 H GLY A 21 11.796 -7.715 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.964 -6.910 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.252 -6.621 -3.631 1.00 0.00 H new ATOM 272 N GLU A 22 12.404 -4.351 -2.984 1.00 0.00 N ATOM 273 CA GLU A 22 12.681 -3.073 -2.352 1.00 0.00 C ATOM 274 C GLU A 22 11.373 -2.362 -1.998 1.00 0.00 C ATOM 275 O GLU A 22 10.811 -1.641 -2.821 1.00 0.00 O ATOM 276 CB GLU A 22 13.556 -2.195 -3.249 1.00 0.00 C ATOM 277 CG GLU A 22 14.488 -1.316 -2.414 1.00 0.00 C ATOM 278 CD GLU A 22 15.741 -0.937 -3.207 1.00 0.00 C ATOM 279 OE1 GLU A 22 16.565 -1.849 -3.435 1.00 0.00 O ATOM 280 OE2 GLU A 22 15.847 0.255 -3.566 1.00 0.00 O ATOM 0 H GLU A 22 12.118 -4.291 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 22 13.233 -3.258 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.145 -2.824 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.924 -1.567 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.962 -0.413 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.775 -1.845 -1.505 1.00 0.00 H new ATOM 287 N ILE A 23 10.925 -2.591 -0.772 1.00 0.00 N ATOM 288 CA ILE A 23 9.694 -1.981 -0.299 1.00 0.00 C ATOM 289 C ILE A 23 9.891 -0.468 -0.181 1.00 0.00 C ATOM 290 O ILE A 23 10.598 0.001 0.710 1.00 0.00 O ATOM 291 CB ILE A 23 9.233 -2.644 1.001 1.00 0.00 C ATOM 292 CG1 ILE A 23 7.911 -3.388 0.797 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.147 -1.624 2.137 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.717 -4.464 1.867 1.00 0.00 C ATOM 0 H ILE A 23 11.393 -3.191 -0.092 1.00 0.00 H new ATOM 0 HA ILE A 23 8.889 -2.143 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 23 9.979 -3.384 1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.082 -2.681 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.896 -3.846 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.817 -2.122 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.128 -1.179 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.434 -0.843 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.770 -4.978 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.534 -5.183 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.708 -3.999 2.853 1.00 0.00 H new ATOM 306 N ARG A 24 9.254 0.252 -1.092 1.00 0.00 N ATOM 307 CA ARG A 24 9.351 1.702 -1.101 1.00 0.00 C ATOM 308 C ARG A 24 8.114 2.312 -1.763 1.00 0.00 C ATOM 309 O ARG A 24 7.867 2.093 -2.948 1.00 0.00 O ATOM 310 CB ARG A 24 10.602 2.166 -1.850 1.00 0.00 C ATOM 311 CG ARG A 24 10.711 1.480 -3.213 1.00 0.00 C ATOM 312 CD ARG A 24 10.157 2.375 -4.323 1.00 0.00 C ATOM 313 NE ARG A 24 11.158 2.521 -5.403 1.00 0.00 N ATOM 314 CZ ARG A 24 12.343 3.150 -5.257 1.00 0.00 C ATOM 315 NH1 ARG A 24 12.686 3.699 -4.072 1.00 0.00 N ATOM 316 NH2 ARG A 24 13.162 3.222 -6.290 1.00 0.00 N ATOM 0 H ARG A 24 8.669 -0.141 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 24 9.416 2.036 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.570 3.247 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.489 1.945 -1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.754 1.240 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.164 0.537 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.238 1.946 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.901 3.354 -3.918 1.00 0.00 H new ATOM 0 HE ARG A 24 10.938 2.121 -6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.048 3.640 -3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.584 4.173 -3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.895 2.806 -7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.061 3.694 -6.196 1.00 0.00 H new ATOM 330 N VAL A 25 7.368 3.066 -0.968 1.00 0.00 N ATOM 331 CA VAL A 25 6.163 3.709 -1.461 1.00 0.00 C ATOM 332 C VAL A 25 6.540 4.744 -2.523 1.00 0.00 C ATOM 333 O VAL A 25 6.941 5.859 -2.193 1.00 0.00 O ATOM 334 CB VAL A 25 5.375 4.309 -0.295 1.00 0.00 C ATOM 335 CG1 VAL A 25 6.232 5.303 0.492 1.00 0.00 C ATOM 336 CG2 VAL A 25 4.084 4.968 -0.787 1.00 0.00 C ATOM 0 H VAL A 25 7.576 3.245 0.014 1.00 0.00 H new ATOM 0 HA VAL A 25 5.508 2.979 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 25 5.101 3.496 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.648 5.715 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.109 4.792 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.550 6.111 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.543 5.386 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.327 5.764 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.461 4.223 -1.283 1.00 0.00 H new ATOM 346 N LEU A 26 6.399 4.338 -3.776 1.00 0.00 N ATOM 347 CA LEU A 26 6.720 5.216 -4.888 1.00 0.00 C ATOM 348 C LEU A 26 5.468 5.995 -5.296 1.00 0.00 C ATOM 349 O LEU A 26 5.516 7.214 -5.456 1.00 0.00 O ATOM 350 CB LEU A 26 7.349 4.421 -6.034 1.00 0.00 C ATOM 351 CG LEU A 26 8.346 5.183 -6.911 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.379 4.609 -8.329 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.046 6.683 -6.906 1.00 0.00 C ATOM 0 H LEU A 26 6.067 3.412 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 26 7.469 5.949 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.856 3.553 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.549 4.045 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 26 9.342 5.053 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.095 5.168 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.677 3.561 -8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.388 4.688 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.769 7.201 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.041 6.854 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.115 7.064 -5.887 1.00 0.00 H new ATOM 365 N TYR A 27 4.377 5.260 -5.450 1.00 0.00 N ATOM 366 CA TYR A 27 3.114 5.867 -5.836 1.00 0.00 C ATOM 367 C TYR A 27 1.996 5.467 -4.870 1.00 0.00 C ATOM 368 O TYR A 27 1.260 4.516 -5.127 1.00 0.00 O ATOM 369 CB TYR A 27 2.790 5.319 -7.227 1.00 0.00 C ATOM 370 CG TYR A 27 2.473 3.823 -7.248 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.498 2.900 -7.214 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.161 3.396 -7.301 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.200 1.491 -7.234 1.00 0.00 C ATOM 374 CE2 TYR A 27 0.863 1.987 -7.321 1.00 0.00 C ATOM 375 CZ TYR A 27 1.897 1.104 -7.287 1.00 0.00 C ATOM 376 OH TYR A 27 1.615 -0.226 -7.305 1.00 0.00 O ATOM 0 H TYR A 27 4.341 4.250 -5.315 1.00 0.00 H new ATOM 0 HA TYR A 27 3.191 6.954 -5.823 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.939 5.866 -7.633 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.636 5.510 -7.888 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.524 3.234 -7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.359 4.118 -7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.993 0.758 -7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.159 1.639 -7.362 1.00 0.00 H new ATOM 0 HH TYR A 27 1.968 -0.646 -6.493 1.00 0.00 H new ATOM 386 N SER A 28 1.905 6.214 -3.779 1.00 0.00 N ATOM 387 CA SER A 28 0.890 5.949 -2.774 1.00 0.00 C ATOM 388 C SER A 28 -0.485 6.372 -3.295 1.00 0.00 C ATOM 389 O SER A 28 -0.754 7.562 -3.453 1.00 0.00 O ATOM 390 CB SER A 28 1.208 6.676 -1.465 1.00 0.00 C ATOM 391 OG SER A 28 1.553 8.041 -1.683 1.00 0.00 O ATOM 0 H SER A 28 2.517 7.002 -3.569 1.00 0.00 H new ATOM 0 HA SER A 28 0.881 4.878 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.345 6.622 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.031 6.170 -0.960 1.00 0.00 H new ATOM 0 HG SER A 28 0.925 8.439 -2.321 1.00 0.00 H new ATOM 397 N THR A 29 -1.319 5.374 -3.548 1.00 0.00 N ATOM 398 CA THR A 29 -2.659 5.627 -4.049 1.00 0.00 C ATOM 399 C THR A 29 -3.618 5.903 -2.889 1.00 0.00 C ATOM 400 O THR A 29 -3.326 5.564 -1.743 1.00 0.00 O ATOM 401 CB THR A 29 -3.076 4.434 -4.910 1.00 0.00 C ATOM 402 OG1 THR A 29 -4.122 4.946 -5.731 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.750 3.329 -4.094 1.00 0.00 C ATOM 0 H THR A 29 -1.092 4.388 -3.415 1.00 0.00 H new ATOM 0 HA THR A 29 -2.685 6.521 -4.672 1.00 0.00 H new ATOM 0 HB THR A 29 -2.200 4.028 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.807 5.017 -6.656 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.026 2.506 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.060 2.967 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.645 3.725 -3.614 1.00 0.00 H new ATOM 411 N LYS A 30 -4.743 6.516 -3.226 1.00 0.00 N ATOM 412 CA LYS A 30 -5.747 6.841 -2.227 1.00 0.00 C ATOM 413 C LYS A 30 -6.875 5.809 -2.288 1.00 0.00 C ATOM 414 O LYS A 30 -7.320 5.435 -3.372 1.00 0.00 O ATOM 415 CB LYS A 30 -6.225 8.284 -2.397 1.00 0.00 C ATOM 416 CG LYS A 30 -6.765 8.843 -1.079 1.00 0.00 C ATOM 417 CD LYS A 30 -8.168 9.425 -1.264 1.00 0.00 C ATOM 418 CE LYS A 30 -8.479 10.460 -0.182 1.00 0.00 C ATOM 419 NZ LYS A 30 -9.823 10.224 0.390 1.00 0.00 N ATOM 0 H LYS A 30 -4.982 6.796 -4.177 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.319 6.787 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.401 8.905 -2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.003 8.326 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.791 8.053 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.093 9.616 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.247 9.887 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.906 8.623 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.728 10.408 0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.428 11.463 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.131 11.069 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.497 10.027 -0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.787 9.410 1.037 1.00 0.00 H new ATOM 433 N VAL A 31 -7.303 5.378 -1.111 1.00 0.00 N ATOM 434 CA VAL A 31 -8.371 4.396 -1.017 1.00 0.00 C ATOM 435 C VAL A 31 -9.704 5.065 -1.356 1.00 0.00 C ATOM 436 O VAL A 31 -10.124 6.001 -0.677 1.00 0.00 O ATOM 437 CB VAL A 31 -8.363 3.746 0.368 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.965 2.340 0.317 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.949 3.716 0.952 1.00 0.00 C ATOM 0 H VAL A 31 -6.930 5.690 -0.214 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.217 3.594 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.984 4.353 1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.947 1.900 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.995 2.398 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.382 1.719 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.972 3.249 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.296 3.143 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.571 4.734 1.042 1.00 0.00 H new ATOM 449 N THR A 32 -10.334 4.558 -2.406 1.00 0.00 N ATOM 450 CA THR A 32 -11.611 5.094 -2.843 1.00 0.00 C ATOM 451 C THR A 32 -12.740 4.586 -1.943 1.00 0.00 C ATOM 452 O THR A 32 -12.499 3.814 -1.016 1.00 0.00 O ATOM 453 CB THR A 32 -11.798 4.729 -4.317 1.00 0.00 C ATOM 454 OG1 THR A 32 -13.000 5.396 -4.691 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.118 3.246 -4.516 1.00 0.00 C ATOM 0 H THR A 32 -9.983 3.781 -2.967 1.00 0.00 H new ATOM 0 HA THR A 32 -11.634 6.180 -2.757 1.00 0.00 H new ATOM 0 HB THR A 32 -10.895 4.984 -4.871 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.195 5.214 -5.634 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.241 3.040 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.301 2.641 -4.121 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.040 2.999 -3.989 1.00 0.00 H new ATOM 463 N THR A 33 -13.946 5.040 -2.248 1.00 0.00 N ATOM 464 CA THR A 33 -15.112 4.641 -1.478 1.00 0.00 C ATOM 465 C THR A 33 -15.591 3.255 -1.915 1.00 0.00 C ATOM 466 O THR A 33 -16.431 2.647 -1.253 1.00 0.00 O ATOM 467 CB THR A 33 -16.177 5.728 -1.634 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.959 5.621 -0.448 1.00 0.00 O ATOM 469 CG2 THR A 33 -17.165 5.423 -2.762 1.00 0.00 C ATOM 0 H THR A 33 -14.141 5.680 -3.018 1.00 0.00 H new ATOM 0 HA THR A 33 -14.873 4.549 -0.418 1.00 0.00 H new ATOM 0 HB THR A 33 -15.693 6.685 -1.826 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.048 4.677 -0.199 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.899 6.226 -2.830 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.626 5.344 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.674 4.482 -2.555 1.00 0.00 H new ATOM 477 N SER A 34 -15.036 2.796 -3.028 1.00 0.00 N ATOM 478 CA SER A 34 -15.396 1.493 -3.561 1.00 0.00 C ATOM 479 C SER A 34 -14.340 0.458 -3.170 1.00 0.00 C ATOM 480 O SER A 34 -14.317 -0.646 -3.712 1.00 0.00 O ATOM 481 CB SER A 34 -15.551 1.544 -5.082 1.00 0.00 C ATOM 482 OG SER A 34 -16.489 0.582 -5.556 1.00 0.00 O ATOM 0 H SER A 34 -14.340 3.303 -3.575 1.00 0.00 H new ATOM 0 HA SER A 34 -16.356 1.202 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.873 2.542 -5.380 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.583 1.368 -5.551 1.00 0.00 H new ATOM 0 HG SER A 34 -16.560 0.648 -6.531 1.00 0.00 H new ATOM 488 N ILE A 35 -13.491 0.851 -2.231 1.00 0.00 N ATOM 489 CA ILE A 35 -12.435 -0.030 -1.761 1.00 0.00 C ATOM 490 C ILE A 35 -13.051 -1.163 -0.938 1.00 0.00 C ATOM 491 O ILE A 35 -14.243 -1.139 -0.635 1.00 0.00 O ATOM 492 CB ILE A 35 -11.369 0.767 -1.008 1.00 0.00 C ATOM 493 CG1 ILE A 35 -9.974 0.482 -1.569 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.447 0.503 0.497 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.174 -0.412 -0.619 1.00 0.00 C ATOM 0 H ILE A 35 -13.513 1.767 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.920 -0.491 -2.604 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.566 1.828 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.061 -0.001 -2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.442 1.420 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.678 1.082 1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.429 0.797 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.290 -0.558 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.187 -0.600 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.068 0.085 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.697 -1.359 -0.484 1.00 0.00 H new ATOM 507 N THR A 36 -12.211 -2.130 -0.599 1.00 0.00 N ATOM 508 CA THR A 36 -12.657 -3.270 0.183 1.00 0.00 C ATOM 509 C THR A 36 -12.975 -2.841 1.617 1.00 0.00 C ATOM 510 O THR A 36 -12.093 -2.385 2.342 1.00 0.00 O ATOM 511 CB THR A 36 -11.580 -4.353 0.097 1.00 0.00 C ATOM 512 OG1 THR A 36 -11.961 -5.301 1.091 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.210 -3.855 0.563 1.00 0.00 C ATOM 0 H THR A 36 -11.223 -2.147 -0.852 1.00 0.00 H new ATOM 0 HA THR A 36 -13.585 -3.683 -0.213 1.00 0.00 H new ATOM 0 HB THR A 36 -11.506 -4.711 -0.930 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.290 -5.314 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.482 -4.662 0.482 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.895 -3.019 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.275 -3.529 1.601 1.00 0.00 H new ATOM 521 N SER A 37 -14.238 -3.004 1.983 1.00 0.00 N ATOM 522 CA SER A 37 -14.684 -2.639 3.317 1.00 0.00 C ATOM 523 C SER A 37 -15.229 -3.872 4.041 1.00 0.00 C ATOM 524 O SER A 37 -15.181 -3.947 5.268 1.00 0.00 O ATOM 525 CB SER A 37 -15.748 -1.542 3.262 1.00 0.00 C ATOM 526 OG SER A 37 -16.993 -1.978 3.800 1.00 0.00 O ATOM 0 H SER A 37 -14.967 -3.384 1.379 1.00 0.00 H new ATOM 0 HA SER A 37 -13.829 -2.249 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.399 -0.671 3.816 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.890 -1.227 2.228 1.00 0.00 H new ATOM 0 HG SER A 37 -17.645 -1.248 3.748 1.00 0.00 H new ATOM 532 N LYS A 38 -15.736 -4.807 3.251 1.00 0.00 N ATOM 533 CA LYS A 38 -16.290 -6.032 3.802 1.00 0.00 C ATOM 534 C LYS A 38 -15.293 -7.174 3.598 1.00 0.00 C ATOM 535 O LYS A 38 -14.996 -7.918 4.532 1.00 0.00 O ATOM 536 CB LYS A 38 -17.672 -6.310 3.208 1.00 0.00 C ATOM 537 CG LYS A 38 -17.561 -7.126 1.919 1.00 0.00 C ATOM 538 CD LYS A 38 -18.946 -7.457 1.359 1.00 0.00 C ATOM 539 CE LYS A 38 -19.155 -6.804 -0.009 1.00 0.00 C ATOM 540 NZ LYS A 38 -19.119 -7.823 -1.081 1.00 0.00 N ATOM 0 H LYS A 38 -15.775 -4.741 2.234 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.445 -5.930 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.281 -6.850 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.180 -5.368 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.989 -6.567 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.014 -8.048 2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.058 -8.538 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.714 -7.112 2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.112 -6.282 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.381 -6.056 -0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.506 -7.493 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.745 -8.715 -0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.081 -7.978 -1.445 1.00 0.00 H new ATOM 554 N LYS A 39 -14.803 -7.278 2.372 1.00 0.00 N ATOM 555 CA LYS A 39 -13.845 -8.317 2.034 1.00 0.00 C ATOM 556 C LYS A 39 -12.524 -8.041 2.753 1.00 0.00 C ATOM 557 O LYS A 39 -11.947 -6.964 2.608 1.00 0.00 O ATOM 558 CB LYS A 39 -13.704 -8.443 0.515 1.00 0.00 C ATOM 559 CG LYS A 39 -13.878 -9.895 0.067 1.00 0.00 C ATOM 560 CD LYS A 39 -15.359 -10.246 -0.096 1.00 0.00 C ATOM 561 CE LYS A 39 -15.875 -9.821 -1.472 1.00 0.00 C ATOM 562 NZ LYS A 39 -15.799 -10.950 -2.425 1.00 0.00 N ATOM 0 H LYS A 39 -15.051 -6.660 1.600 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.199 -9.288 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.448 -7.816 0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.725 -8.078 0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.357 -10.053 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.421 -10.562 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.498 -11.319 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.941 -9.753 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.906 -9.476 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.287 -8.983 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.153 -10.645 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.811 -11.261 -2.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.380 -11.739 -2.076 1.00 0.00 H new ATOM 576 N TRP A 40 -12.082 -9.031 3.513 1.00 0.00 N ATOM 577 CA TRP A 40 -10.839 -8.908 4.256 1.00 0.00 C ATOM 578 C TRP A 40 -10.150 -10.274 4.255 1.00 0.00 C ATOM 579 O TRP A 40 -10.782 -11.292 4.532 1.00 0.00 O ATOM 580 CB TRP A 40 -11.093 -8.368 5.665 1.00 0.00 C ATOM 581 CG TRP A 40 -11.602 -6.925 5.695 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.590 -6.415 6.443 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.104 -5.821 4.911 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.765 -5.068 6.198 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.832 -4.695 5.237 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.071 -5.775 3.957 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.607 -3.441 4.657 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.859 -4.514 3.386 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.584 -3.372 3.704 1.00 0.00 C ATOM 0 H TRP A 40 -12.562 -9.923 3.631 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.177 -8.184 3.782 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.820 -9.009 6.164 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.168 -8.428 6.239 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.175 -6.986 7.148 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.452 -4.458 6.641 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.488 -6.643 3.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.191 -2.574 4.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.077 -4.423 2.647 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.359 -2.434 3.218 1.00 0.00 H new ATOM 600 N GLY A 41 -8.863 -10.252 3.939 1.00 0.00 N ATOM 601 CA GLY A 41 -8.082 -11.476 3.899 1.00 0.00 C ATOM 602 C GLY A 41 -6.926 -11.423 4.900 1.00 0.00 C ATOM 603 O GLY A 41 -6.510 -10.343 5.316 1.00 0.00 O ATOM 0 H GLY A 41 -8.342 -9.406 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.723 -12.328 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.690 -11.629 2.893 1.00 0.00 H new ATOM 607 N THR A 42 -6.442 -12.603 5.259 1.00 0.00 N ATOM 608 CA THR A 42 -5.343 -12.704 6.204 1.00 0.00 C ATOM 609 C THR A 42 -4.137 -11.903 5.708 1.00 0.00 C ATOM 610 O THR A 42 -3.413 -11.307 6.505 1.00 0.00 O ATOM 611 CB THR A 42 -5.039 -14.188 6.419 1.00 0.00 C ATOM 612 OG1 THR A 42 -3.801 -14.191 7.124 1.00 0.00 O ATOM 613 CG2 THR A 42 -4.724 -14.917 5.110 1.00 0.00 C ATOM 0 H THR A 42 -6.791 -13.497 4.913 1.00 0.00 H new ATOM 0 HA THR A 42 -5.609 -12.269 7.167 1.00 0.00 H new ATOM 0 HB THR A 42 -5.890 -14.665 6.905 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.530 -15.115 7.306 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.516 -15.966 5.319 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.579 -14.844 4.438 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.853 -14.461 4.640 1.00 0.00 H new ATOM 621 N ARG A 43 -3.959 -11.914 4.395 1.00 0.00 N ATOM 622 CA ARG A 43 -2.854 -11.195 3.784 1.00 0.00 C ATOM 623 C ARG A 43 -3.325 -9.832 3.272 1.00 0.00 C ATOM 624 O ARG A 43 -2.575 -9.123 2.604 1.00 0.00 O ATOM 625 CB ARG A 43 -2.256 -11.990 2.622 1.00 0.00 C ATOM 626 CG ARG A 43 -0.923 -12.625 3.020 1.00 0.00 C ATOM 627 CD ARG A 43 -0.105 -13.004 1.784 1.00 0.00 C ATOM 628 NE ARG A 43 -0.596 -14.282 1.223 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.339 -14.706 -0.032 1.00 0.00 C ATOM 630 NH1 ARG A 43 0.408 -13.956 -0.870 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.829 -15.866 -0.429 1.00 0.00 N ATOM 0 H ARG A 43 -4.561 -12.409 3.738 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.088 -11.055 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.954 -12.767 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.108 -11.333 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.355 -11.929 3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.106 -13.513 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.178 -12.216 1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.948 -13.095 2.049 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.164 -14.880 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.783 -13.061 -0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.597 -14.284 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.392 -16.427 0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.644 -16.201 -1.375 1.00 0.00 H new ATOM 645 N ASP A 44 -4.566 -9.508 3.605 1.00 0.00 N ATOM 646 CA ASP A 44 -5.146 -8.243 3.187 1.00 0.00 C ATOM 647 C ASP A 44 -5.158 -7.276 4.373 1.00 0.00 C ATOM 648 O ASP A 44 -5.003 -7.692 5.520 1.00 0.00 O ATOM 649 CB ASP A 44 -6.589 -8.428 2.715 1.00 0.00 C ATOM 650 CG ASP A 44 -6.900 -7.837 1.338 1.00 0.00 C ATOM 651 OD1 ASP A 44 -7.105 -6.605 1.282 1.00 0.00 O ATOM 652 OD2 ASP A 44 -6.925 -8.630 0.372 1.00 0.00 O ATOM 0 H ASP A 44 -5.186 -10.099 4.159 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.545 -7.852 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.815 -9.494 2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.256 -7.974 3.448 1.00 0.00 H new ATOM 657 N LEU A 45 -5.342 -6.003 4.055 1.00 0.00 N ATOM 658 CA LEU A 45 -5.376 -4.973 5.080 1.00 0.00 C ATOM 659 C LEU A 45 -6.831 -4.657 5.432 1.00 0.00 C ATOM 660 O LEU A 45 -7.722 -4.810 4.598 1.00 0.00 O ATOM 661 CB LEU A 45 -4.570 -3.750 4.637 1.00 0.00 C ATOM 662 CG LEU A 45 -3.693 -3.100 5.709 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.617 -4.071 6.200 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.092 -1.787 5.204 1.00 0.00 C ATOM 0 H LEU A 45 -5.469 -5.661 3.102 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.897 -5.328 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.933 -4.043 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.264 -2.999 4.260 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.323 -2.858 6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.008 -3.584 6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.092 -4.955 6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.984 -4.366 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.473 -1.346 5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.480 -1.982 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.894 -1.096 4.943 1.00 0.00 H new ATOM 676 N GLN A 46 -7.026 -4.222 6.668 1.00 0.00 N ATOM 677 CA GLN A 46 -8.358 -3.883 7.141 1.00 0.00 C ATOM 678 C GLN A 46 -8.665 -2.412 6.852 1.00 0.00 C ATOM 679 O GLN A 46 -9.404 -1.771 7.598 1.00 0.00 O ATOM 680 CB GLN A 46 -8.506 -4.192 8.631 1.00 0.00 C ATOM 681 CG GLN A 46 -9.822 -3.636 9.179 1.00 0.00 C ATOM 682 CD GLN A 46 -10.359 -4.513 10.312 1.00 0.00 C ATOM 683 OE1 GLN A 46 -10.341 -4.148 11.476 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.836 -5.687 9.908 1.00 0.00 N ATOM 0 H GLN A 46 -6.284 -4.096 7.357 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.081 -4.497 6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.469 -5.270 8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.669 -3.761 9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.668 -2.620 9.543 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.559 -3.580 8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.821 -5.930 8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.217 -6.344 10.589 1.00 0.00 H new ATOM 693 N VAL A 47 -8.081 -1.920 5.769 1.00 0.00 N ATOM 694 CA VAL A 47 -8.283 -0.537 5.374 1.00 0.00 C ATOM 695 C VAL A 47 -9.758 -0.320 5.026 1.00 0.00 C ATOM 696 O VAL A 47 -10.481 -1.276 4.751 1.00 0.00 O ATOM 697 CB VAL A 47 -7.339 -0.178 4.224 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.886 -0.484 4.592 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.743 -0.900 2.938 1.00 0.00 C ATOM 0 H VAL A 47 -7.468 -2.455 5.153 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.041 0.134 6.198 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.420 0.894 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.236 -0.220 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.603 0.096 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.782 -1.547 4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.056 -0.628 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.705 -1.977 3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.757 -0.610 2.661 1.00 0.00 H new ATOM 709 N LYS A 48 -10.159 0.942 5.051 1.00 0.00 N ATOM 710 CA LYS A 48 -11.534 1.296 4.742 1.00 0.00 C ATOM 711 C LYS A 48 -11.567 2.118 3.452 1.00 0.00 C ATOM 712 O LYS A 48 -10.574 2.745 3.086 1.00 0.00 O ATOM 713 CB LYS A 48 -12.188 1.998 5.935 1.00 0.00 C ATOM 714 CG LYS A 48 -12.950 0.999 6.808 1.00 0.00 C ATOM 715 CD LYS A 48 -11.986 0.060 7.537 1.00 0.00 C ATOM 716 CE LYS A 48 -12.160 0.165 9.053 1.00 0.00 C ATOM 717 NZ LYS A 48 -13.496 -0.328 9.457 1.00 0.00 N ATOM 0 H LYS A 48 -9.556 1.732 5.280 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.127 0.399 4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.424 2.498 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.870 2.769 5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.559 1.536 7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.632 0.416 6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.162 -0.967 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.959 0.306 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.385 -0.414 9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.038 1.201 9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.490 -0.554 10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.208 0.407 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.730 -1.183 8.913 1.00 0.00 H new ATOM 731 N PRO A 49 -12.750 2.087 2.781 1.00 0.00 N ATOM 732 CA PRO A 49 -12.925 2.822 1.540 1.00 0.00 C ATOM 733 C PRO A 49 -13.075 4.321 1.806 1.00 0.00 C ATOM 734 O PRO A 49 -13.891 4.730 2.631 1.00 0.00 O ATOM 735 CB PRO A 49 -14.154 2.208 0.890 1.00 0.00 C ATOM 736 CG PRO A 49 -14.890 1.474 1.999 1.00 0.00 C ATOM 737 CD PRO A 49 -13.947 1.355 3.185 1.00 0.00 C ATOM 0 HA PRO A 49 -12.061 2.745 0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.785 2.977 0.445 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.872 1.524 0.089 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.793 2.016 2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.204 0.487 1.660 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.388 1.782 4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.718 0.312 3.406 1.00 0.00 H new ATOM 745 N GLY A 50 -12.276 5.099 1.092 1.00 0.00 N ATOM 746 CA GLY A 50 -12.310 6.544 1.241 1.00 0.00 C ATOM 747 C GLY A 50 -11.157 7.032 2.121 1.00 0.00 C ATOM 748 O GLY A 50 -11.143 8.186 2.548 1.00 0.00 O ATOM 0 H GLY A 50 -11.601 4.756 0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.249 7.016 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.261 6.846 1.681 1.00 0.00 H new ATOM 752 N GLU A 51 -10.219 6.129 2.366 1.00 0.00 N ATOM 753 CA GLU A 51 -9.065 6.453 3.187 1.00 0.00 C ATOM 754 C GLU A 51 -7.805 6.535 2.324 1.00 0.00 C ATOM 755 O GLU A 51 -7.835 6.195 1.142 1.00 0.00 O ATOM 756 CB GLU A 51 -8.892 5.434 4.315 1.00 0.00 C ATOM 757 CG GLU A 51 -7.967 5.977 5.407 1.00 0.00 C ATOM 758 CD GLU A 51 -8.230 7.463 5.660 1.00 0.00 C ATOM 759 OE1 GLU A 51 -9.389 7.784 6.001 1.00 0.00 O ATOM 760 OE2 GLU A 51 -7.267 8.244 5.506 1.00 0.00 O ATOM 0 H GLU A 51 -10.235 5.173 2.010 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.231 7.428 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.864 5.192 4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.482 4.507 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.118 5.415 6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.927 5.833 5.113 1.00 0.00 H new ATOM 767 N SER A 52 -6.727 6.988 2.947 1.00 0.00 N ATOM 768 CA SER A 52 -5.459 7.119 2.250 1.00 0.00 C ATOM 769 C SER A 52 -4.460 6.089 2.783 1.00 0.00 C ATOM 770 O SER A 52 -4.288 5.956 3.994 1.00 0.00 O ATOM 771 CB SER A 52 -4.893 8.533 2.397 1.00 0.00 C ATOM 772 OG SER A 52 -3.708 8.716 1.627 1.00 0.00 O ATOM 0 H SER A 52 -6.706 7.269 3.927 1.00 0.00 H new ATOM 0 HA SER A 52 -5.631 6.934 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.644 9.259 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.677 8.730 3.447 1.00 0.00 H new ATOM 0 HG SER A 52 -3.379 9.631 1.746 1.00 0.00 H new ATOM 778 N LEU A 53 -3.829 5.388 1.853 1.00 0.00 N ATOM 779 CA LEU A 53 -2.852 4.375 2.215 1.00 0.00 C ATOM 780 C LEU A 53 -1.671 4.441 1.244 1.00 0.00 C ATOM 781 O LEU A 53 -1.821 4.890 0.108 1.00 0.00 O ATOM 782 CB LEU A 53 -3.512 2.996 2.286 1.00 0.00 C ATOM 783 CG LEU A 53 -3.145 2.018 1.169 1.00 0.00 C ATOM 784 CD1 LEU A 53 -4.094 0.818 1.156 1.00 0.00 C ATOM 785 CD2 LEU A 53 -3.099 2.726 -0.187 1.00 0.00 C ATOM 0 H LEU A 53 -3.975 5.501 0.850 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.457 4.567 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.252 2.540 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.593 3.132 2.282 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.144 1.635 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.810 0.139 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.033 0.296 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.115 1.164 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.836 2.008 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.076 3.156 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.352 3.519 -0.158 1.00 0.00 H new ATOM 797 N GLU A 54 -0.524 3.988 1.726 1.00 0.00 N ATOM 798 CA GLU A 54 0.682 3.991 0.915 1.00 0.00 C ATOM 799 C GLU A 54 0.706 2.768 -0.005 1.00 0.00 C ATOM 800 O GLU A 54 0.416 1.655 0.430 1.00 0.00 O ATOM 801 CB GLU A 54 1.934 4.041 1.794 1.00 0.00 C ATOM 802 CG GLU A 54 2.545 5.443 1.798 1.00 0.00 C ATOM 803 CD GLU A 54 2.346 6.123 3.155 1.00 0.00 C ATOM 804 OE1 GLU A 54 2.435 5.400 4.170 1.00 0.00 O ATOM 805 OE2 GLU A 54 2.110 7.351 3.145 1.00 0.00 O ATOM 0 H GLU A 54 -0.404 3.616 2.668 1.00 0.00 H new ATOM 0 HA GLU A 54 0.677 4.888 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.679 3.748 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.668 3.322 1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.609 5.381 1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.087 6.046 1.014 1.00 0.00 H new ATOM 812 N VAL A 55 1.054 3.018 -1.258 1.00 0.00 N ATOM 813 CA VAL A 55 1.119 1.951 -2.243 1.00 0.00 C ATOM 814 C VAL A 55 2.584 1.600 -2.511 1.00 0.00 C ATOM 815 O VAL A 55 3.395 2.479 -2.797 1.00 0.00 O ATOM 816 CB VAL A 55 0.361 2.359 -3.508 1.00 0.00 C ATOM 817 CG1 VAL A 55 0.930 1.653 -4.740 1.00 0.00 C ATOM 818 CG2 VAL A 55 -1.137 2.086 -3.362 1.00 0.00 C ATOM 0 H VAL A 55 1.294 3.943 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 55 0.632 1.052 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 55 0.493 3.432 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.373 1.961 -5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.980 1.921 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.843 0.574 -4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.652 2.385 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.298 1.022 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.530 2.656 -2.520 1.00 0.00 H new ATOM 828 N ILE A 56 2.879 0.312 -2.409 1.00 0.00 N ATOM 829 CA ILE A 56 4.232 -0.167 -2.637 1.00 0.00 C ATOM 830 C ILE A 56 4.381 -0.583 -4.101 1.00 0.00 C ATOM 831 O ILE A 56 3.903 0.109 -4.999 1.00 0.00 O ATOM 832 CB ILE A 56 4.582 -1.276 -1.643 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.189 -0.881 -0.219 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.060 -1.657 -1.746 1.00 0.00 C ATOM 835 CD1 ILE A 56 4.840 -1.811 0.808 1.00 0.00 C ATOM 0 H ILE A 56 2.204 -0.415 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 56 4.954 0.630 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 56 4.002 -2.162 -1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.492 0.148 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.105 -0.919 -0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.283 -2.447 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.275 -2.011 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.677 -0.785 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.544 -1.508 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.516 -2.836 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.925 -1.752 0.716 1.00 0.00 H new ATOM 847 N GLN A 57 5.045 -1.713 -4.298 1.00 0.00 N ATOM 848 CA GLN A 57 5.263 -2.229 -5.638 1.00 0.00 C ATOM 849 C GLN A 57 4.168 -3.232 -6.005 1.00 0.00 C ATOM 850 O GLN A 57 3.546 -3.827 -5.126 1.00 0.00 O ATOM 851 CB GLN A 57 6.651 -2.863 -5.763 1.00 0.00 C ATOM 852 CG GLN A 57 7.055 -3.013 -7.231 1.00 0.00 C ATOM 853 CD GLN A 57 8.568 -3.192 -7.367 1.00 0.00 C ATOM 854 OE1 GLN A 57 9.068 -4.265 -7.661 1.00 0.00 O ATOM 855 NE2 GLN A 57 9.267 -2.084 -7.138 1.00 0.00 N ATOM 0 H GLN A 57 5.439 -2.285 -3.551 1.00 0.00 H new ATOM 0 HA GLN A 57 5.216 -1.396 -6.339 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.384 -2.248 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.653 -3.840 -5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.543 -3.871 -7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.737 -2.134 -7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.785 -1.218 -6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.285 -2.100 -7.204 1.00 0.00 H new ATOM 864 N THR A 58 3.965 -3.389 -7.305 1.00 0.00 N ATOM 865 CA THR A 58 2.955 -4.310 -7.799 1.00 0.00 C ATOM 866 C THR A 58 3.353 -5.754 -7.489 1.00 0.00 C ATOM 867 O THR A 58 4.409 -6.217 -7.918 1.00 0.00 O ATOM 868 CB THR A 58 2.760 -4.041 -9.292 1.00 0.00 C ATOM 869 OG1 THR A 58 4.066 -3.717 -9.760 1.00 0.00 O ATOM 870 CG2 THR A 58 1.944 -2.774 -9.557 1.00 0.00 C ATOM 0 H THR A 58 4.483 -2.894 -8.031 1.00 0.00 H new ATOM 0 HA THR A 58 1.999 -4.155 -7.298 1.00 0.00 H new ATOM 0 HB THR A 58 2.264 -4.895 -9.753 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.702 -4.396 -9.452 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.835 -2.630 -10.632 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.958 -2.874 -9.103 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.457 -1.914 -9.125 1.00 0.00 H new ATOM 878 N THR A 59 2.486 -6.427 -6.746 1.00 0.00 N ATOM 879 CA THR A 59 2.734 -7.809 -6.373 1.00 0.00 C ATOM 880 C THR A 59 2.997 -8.658 -7.619 1.00 0.00 C ATOM 881 O THR A 59 4.136 -9.038 -7.887 1.00 0.00 O ATOM 882 CB THR A 59 1.543 -8.297 -5.546 1.00 0.00 C ATOM 883 OG1 THR A 59 1.856 -7.893 -4.215 1.00 0.00 O ATOM 884 CG2 THR A 59 1.472 -9.823 -5.465 1.00 0.00 C ATOM 0 H THR A 59 1.611 -6.040 -6.392 1.00 0.00 H new ATOM 0 HA THR A 59 3.631 -7.899 -5.761 1.00 0.00 H new ATOM 0 HB THR A 59 0.619 -7.913 -5.979 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.374 -8.462 -3.579 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.609 -10.116 -4.867 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.375 -10.237 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.381 -10.205 -5.001 1.00 0.00 H new ATOM 892 N ASP A 60 1.924 -8.931 -8.347 1.00 0.00 N ATOM 893 CA ASP A 60 2.024 -9.728 -9.557 1.00 0.00 C ATOM 894 C ASP A 60 1.906 -8.812 -10.777 1.00 0.00 C ATOM 895 O ASP A 60 2.906 -8.277 -11.255 1.00 0.00 O ATOM 896 CB ASP A 60 0.898 -10.761 -9.631 1.00 0.00 C ATOM 897 CG ASP A 60 0.689 -11.392 -11.009 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.664 -11.384 -11.791 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.441 -11.869 -11.250 1.00 0.00 O ATOM 0 H ASP A 60 0.981 -8.614 -8.122 1.00 0.00 H new ATOM 0 HA ASP A 60 2.985 -10.242 -9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.105 -11.554 -8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.032 -10.285 -9.321 1.00 0.00 H new ATOM 904 N ASP A 61 0.677 -8.660 -11.246 1.00 0.00 N ATOM 905 CA ASP A 61 0.415 -7.818 -12.401 1.00 0.00 C ATOM 906 C ASP A 61 -0.504 -6.666 -11.990 1.00 0.00 C ATOM 907 O ASP A 61 -0.156 -5.499 -12.158 1.00 0.00 O ATOM 908 CB ASP A 61 -0.282 -8.606 -13.511 1.00 0.00 C ATOM 909 CG ASP A 61 0.337 -8.450 -14.902 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.477 -8.933 -15.073 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.345 -7.852 -15.762 1.00 0.00 O ATOM 0 H ASP A 61 -0.149 -9.106 -10.847 1.00 0.00 H new ATOM 0 HA ASP A 61 1.371 -7.445 -12.769 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.277 -9.663 -13.244 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.325 -8.294 -13.557 1.00 0.00 H new ATOM 916 N THR A 62 -1.661 -7.036 -11.459 1.00 0.00 N ATOM 917 CA THR A 62 -2.633 -6.048 -11.022 1.00 0.00 C ATOM 918 C THR A 62 -2.876 -6.168 -9.516 1.00 0.00 C ATOM 919 O THR A 62 -3.957 -6.570 -9.088 1.00 0.00 O ATOM 920 CB THR A 62 -3.901 -6.232 -11.859 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.440 -6.849 -13.057 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.491 -4.900 -12.328 1.00 0.00 C ATOM 0 H THR A 62 -1.947 -8.006 -11.322 1.00 0.00 H new ATOM 0 HA THR A 62 -2.265 -5.034 -11.180 1.00 0.00 H new ATOM 0 HB THR A 62 -4.646 -6.773 -11.276 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.199 -7.006 -13.657 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.389 -5.087 -12.917 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.746 -4.290 -11.462 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.759 -4.373 -12.940 1.00 0.00 H new ATOM 930 N LYS A 63 -1.852 -5.813 -8.754 1.00 0.00 N ATOM 931 CA LYS A 63 -1.940 -5.876 -7.305 1.00 0.00 C ATOM 932 C LYS A 63 -0.956 -4.876 -6.695 1.00 0.00 C ATOM 933 O LYS A 63 0.214 -4.842 -7.073 1.00 0.00 O ATOM 934 CB LYS A 63 -1.740 -7.312 -6.818 1.00 0.00 C ATOM 935 CG LYS A 63 -1.787 -7.385 -5.291 1.00 0.00 C ATOM 936 CD LYS A 63 -2.155 -8.793 -4.820 1.00 0.00 C ATOM 937 CE LYS A 63 -2.305 -8.841 -3.298 1.00 0.00 C ATOM 938 NZ LYS A 63 -3.258 -9.902 -2.904 1.00 0.00 N ATOM 0 H LYS A 63 -0.957 -5.481 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.936 -5.587 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.513 -7.954 -7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.782 -7.690 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.818 -7.102 -4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.516 -6.669 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.087 -9.106 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.386 -9.498 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.335 -9.026 -2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.654 -7.876 -2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.059 -10.202 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.229 -9.535 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.156 -10.715 -3.544 1.00 0.00 H new ATOM 952 N VAL A 64 -1.466 -4.087 -5.761 1.00 0.00 N ATOM 953 CA VAL A 64 -0.647 -3.089 -5.095 1.00 0.00 C ATOM 954 C VAL A 64 -0.616 -3.381 -3.593 1.00 0.00 C ATOM 955 O VAL A 64 -1.663 -3.540 -2.967 1.00 0.00 O ATOM 956 CB VAL A 64 -1.162 -1.686 -5.421 1.00 0.00 C ATOM 957 CG1 VAL A 64 -0.737 -1.260 -6.828 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.681 -1.609 -5.259 1.00 0.00 C ATOM 0 H VAL A 64 -2.437 -4.119 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 64 0.380 -3.135 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.714 -0.990 -4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.116 -0.259 -7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.351 -1.257 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.143 -1.960 -7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.022 -0.601 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.155 -2.321 -5.934 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.950 -1.850 -4.230 1.00 0.00 H new ATOM 968 N LEU A 65 0.595 -3.441 -3.059 1.00 0.00 N ATOM 969 CA LEU A 65 0.775 -3.711 -1.642 1.00 0.00 C ATOM 970 C LEU A 65 0.738 -2.392 -0.868 1.00 0.00 C ATOM 971 O LEU A 65 1.445 -1.446 -1.211 1.00 0.00 O ATOM 972 CB LEU A 65 2.050 -4.525 -1.410 1.00 0.00 C ATOM 973 CG LEU A 65 2.940 -4.061 -0.255 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.279 -4.345 1.095 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.334 -4.685 -0.353 1.00 0.00 C ATOM 0 H LEU A 65 1.461 -3.307 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.042 -4.326 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.768 -5.562 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.640 -4.509 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 65 3.064 -2.981 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.932 -4.006 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.328 -3.816 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.105 -5.416 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.947 -4.339 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.250 -5.771 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.799 -4.390 -1.293 1.00 0.00 H new ATOM 987 N CYS A 66 -0.094 -2.371 0.163 1.00 0.00 N ATOM 988 CA CYS A 66 -0.233 -1.184 0.989 1.00 0.00 C ATOM 989 C CYS A 66 0.765 -1.283 2.145 1.00 0.00 C ATOM 990 O CYS A 66 1.191 -2.378 2.509 1.00 0.00 O ATOM 991 CB CYS A 66 -1.669 -1.007 1.488 1.00 0.00 C ATOM 992 SG CYS A 66 -1.668 -0.138 3.099 1.00 0.00 S ATOM 0 H CYS A 66 -0.679 -3.158 0.445 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.012 -0.297 0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.249 -0.440 0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.150 -1.980 1.590 1.00 0.00 H new ATOM 0 HG CYS A 66 -1.114 1.030 2.962 1.00 0.00 H new ATOM 998 N ARG A 67 1.108 -0.125 2.689 1.00 0.00 N ATOM 999 CA ARG A 67 2.048 -0.068 3.796 1.00 0.00 C ATOM 1000 C ARG A 67 1.567 0.931 4.849 1.00 0.00 C ATOM 1001 O ARG A 67 1.111 2.023 4.512 1.00 0.00 O ATOM 1002 CB ARG A 67 3.442 0.340 3.314 1.00 0.00 C ATOM 1003 CG ARG A 67 4.530 -0.411 4.085 1.00 0.00 C ATOM 1004 CD ARG A 67 5.919 0.122 3.731 1.00 0.00 C ATOM 1005 NE ARG A 67 6.725 0.291 4.961 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.852 1.031 5.032 1.00 0.00 C ATOM 1007 NH1 ARG A 67 8.317 1.678 3.943 1.00 0.00 N ATOM 1008 NH2 ARG A 67 8.493 1.112 6.184 1.00 0.00 N ATOM 0 H ARG A 67 0.752 0.781 2.384 1.00 0.00 H new ATOM 0 HA ARG A 67 2.105 -1.064 4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.537 0.133 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.575 1.414 3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.359 -0.307 5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.475 -1.475 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.419 -0.567 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.830 1.076 3.211 1.00 0.00 H new ATOM 0 HE ARG A 67 6.409 -0.181 5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.816 1.610 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.169 2.235 4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.135 0.620 7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.346 1.667 6.255 1.00 0.00 H new ATOM 1022 N ASN A 68 1.685 0.523 6.104 1.00 0.00 N ATOM 1023 CA ASN A 68 1.268 1.369 7.209 1.00 0.00 C ATOM 1024 C ASN A 68 2.454 1.596 8.148 1.00 0.00 C ATOM 1025 O ASN A 68 3.218 0.672 8.424 1.00 0.00 O ATOM 1026 CB ASN A 68 0.147 0.709 8.015 1.00 0.00 C ATOM 1027 CG ASN A 68 0.325 -0.810 8.061 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.108 -1.538 7.184 1.00 0.00 O ATOM 1029 ND2 ASN A 68 0.985 -1.245 9.131 1.00 0.00 N ATOM 0 H ASN A 68 2.064 -0.383 6.380 1.00 0.00 H new ATOM 0 HA ASN A 68 0.909 2.311 6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.140 1.109 9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.818 0.952 7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.155 -2.243 9.254 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.321 -0.580 9.828 1.00 0.00 H new ATOM 1036 N GLU A 69 2.572 2.831 8.612 1.00 0.00 N ATOM 1037 CA GLU A 69 3.653 3.192 9.514 1.00 0.00 C ATOM 1038 C GLU A 69 3.598 2.332 10.779 1.00 0.00 C ATOM 1039 O GLU A 69 4.516 2.365 11.597 1.00 0.00 O ATOM 1040 CB GLU A 69 3.604 4.681 9.861 1.00 0.00 C ATOM 1041 CG GLU A 69 4.981 5.189 10.293 1.00 0.00 C ATOM 1042 CD GLU A 69 5.140 5.115 11.813 1.00 0.00 C ATOM 1043 OE1 GLU A 69 4.384 5.836 12.499 1.00 0.00 O ATOM 1044 OE2 GLU A 69 6.015 4.339 12.255 1.00 0.00 O ATOM 0 H GLU A 69 1.937 3.595 8.380 1.00 0.00 H new ATOM 0 HA GLU A 69 4.600 3.002 9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.258 5.248 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.883 4.848 10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.759 4.595 9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.114 6.218 9.959 1.00 0.00 H new ATOM 1051 N GLU A 70 2.512 1.583 10.900 1.00 0.00 N ATOM 1052 CA GLU A 70 2.325 0.717 12.051 1.00 0.00 C ATOM 1053 C GLU A 70 3.413 -0.358 12.088 1.00 0.00 C ATOM 1054 O GLU A 70 3.512 -1.113 13.055 1.00 0.00 O ATOM 1055 CB GLU A 70 0.931 0.086 12.042 1.00 0.00 C ATOM 1056 CG GLU A 70 0.306 0.117 13.439 1.00 0.00 C ATOM 1057 CD GLU A 70 -0.046 1.548 13.851 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -0.747 2.211 13.056 1.00 0.00 O ATOM 1059 OE2 GLU A 70 0.394 1.946 14.951 1.00 0.00 O ATOM 0 H GLU A 70 1.753 1.558 10.220 1.00 0.00 H new ATOM 0 HA GLU A 70 2.408 1.322 12.954 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.290 0.621 11.341 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.996 -0.944 11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.592 -0.501 13.453 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.000 -0.313 14.161 1.00 0.00 H new ATOM 1066 N GLY A 71 4.201 -0.394 11.024 1.00 0.00 N ATOM 1067 CA GLY A 71 5.278 -1.364 10.923 1.00 0.00 C ATOM 1068 C GLY A 71 4.775 -2.683 10.332 1.00 0.00 C ATOM 1069 O GLY A 71 5.482 -3.688 10.356 1.00 0.00 O ATOM 0 H GLY A 71 4.115 0.233 10.224 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.076 -0.963 10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.705 -1.543 11.910 1.00 0.00 H new ATOM 1073 N LYS A 72 3.556 -2.635 9.814 1.00 0.00 N ATOM 1074 CA LYS A 72 2.950 -3.813 9.218 1.00 0.00 C ATOM 1075 C LYS A 72 2.531 -3.493 7.781 1.00 0.00 C ATOM 1076 O LYS A 72 2.319 -2.332 7.436 1.00 0.00 O ATOM 1077 CB LYS A 72 1.804 -4.327 10.092 1.00 0.00 C ATOM 1078 CG LYS A 72 0.806 -5.140 9.266 1.00 0.00 C ATOM 1079 CD LYS A 72 1.352 -6.537 8.965 1.00 0.00 C ATOM 1080 CE LYS A 72 0.607 -7.602 9.772 1.00 0.00 C ATOM 1081 NZ LYS A 72 0.380 -8.812 8.949 1.00 0.00 N ATOM 0 H LYS A 72 2.972 -1.799 9.795 1.00 0.00 H new ATOM 0 HA LYS A 72 3.672 -4.628 9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.204 -4.945 10.896 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.293 -3.485 10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.137 -5.223 9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.593 -4.620 8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.254 -6.748 7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.415 -6.574 9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.182 -7.862 10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.348 -7.204 10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.127 -9.525 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.188 -8.563 8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.295 -9.200 8.642 1.00 0.00 H new ATOM 1095 N TYR A 73 2.423 -4.545 6.982 1.00 0.00 N ATOM 1096 CA TYR A 73 2.033 -4.391 5.591 1.00 0.00 C ATOM 1097 C TYR A 73 0.762 -5.185 5.287 1.00 0.00 C ATOM 1098 O TYR A 73 0.329 -6.005 6.096 1.00 0.00 O ATOM 1099 CB TYR A 73 3.187 -4.962 4.764 1.00 0.00 C ATOM 1100 CG TYR A 73 4.470 -4.131 4.830 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.066 -3.877 6.049 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.033 -3.637 3.671 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.274 -3.096 6.111 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.240 -2.855 3.733 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.801 -2.623 4.950 1.00 0.00 C ATOM 1106 OH TYR A 73 7.942 -1.885 5.009 1.00 0.00 O ATOM 0 H TYR A 73 2.599 -5.507 7.272 1.00 0.00 H new ATOM 0 HA TYR A 73 1.832 -3.344 5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.403 -5.973 5.110 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.871 -5.041 3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.626 -4.264 6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.568 -3.837 2.717 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.751 -2.890 7.058 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.690 -2.461 2.833 1.00 0.00 H new ATOM 0 HH TYR A 73 8.714 -2.482 5.099 1.00 0.00 H new ATOM 1116 N GLY A 74 0.198 -4.915 4.119 1.00 0.00 N ATOM 1117 CA GLY A 74 -1.015 -5.594 3.698 1.00 0.00 C ATOM 1118 C GLY A 74 -1.158 -5.568 2.175 1.00 0.00 C ATOM 1119 O GLY A 74 -0.578 -4.713 1.508 1.00 0.00 O ATOM 0 H GLY A 74 0.559 -4.235 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.998 -6.626 4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.881 -5.116 4.156 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.934 -6.515 1.669 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.161 -6.612 0.237 1.00 0.00 C ATOM 1125 C TYR A 75 -3.555 -6.101 -0.134 1.00 0.00 C ATOM 1126 O TYR A 75 -4.487 -6.200 0.662 1.00 0.00 O ATOM 1127 CB TYR A 75 -2.068 -8.100 -0.106 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.647 -8.583 -0.401 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.187 -7.827 -1.201 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.199 -9.775 0.131 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.524 -8.282 -1.479 1.00 0.00 C ATOM 1132 CE2 TYR A 75 1.139 -10.230 -0.147 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.935 -9.461 -0.938 1.00 0.00 C ATOM 1134 OH TYR A 75 3.198 -9.891 -1.201 1.00 0.00 O ATOM 0 H TYR A 75 -2.414 -7.222 2.225 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.432 -6.011 -0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.473 -8.680 0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.697 -8.302 -0.973 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.164 -6.895 -1.618 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.852 -10.367 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.186 -7.700 -2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.502 -11.161 0.263 1.00 0.00 H new ATOM 0 HH TYR A 75 3.735 -9.849 -0.382 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.652 -5.566 -1.342 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.917 -5.040 -1.827 1.00 0.00 C ATOM 1146 C VAL A 76 -5.049 -5.339 -3.322 1.00 0.00 C ATOM 1147 O VAL A 76 -4.167 -4.995 -4.108 1.00 0.00 O ATOM 1148 CB VAL A 76 -5.021 -3.548 -1.505 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.483 -3.100 -1.448 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.295 -3.217 -0.199 1.00 0.00 C ATOM 0 H VAL A 76 -2.876 -5.485 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.752 -5.527 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.533 -2.997 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.529 -2.036 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.958 -3.283 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.006 -3.662 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.384 -2.150 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.741 -3.783 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.242 -3.482 -0.291 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.157 -5.977 -3.670 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.415 -6.326 -5.056 1.00 0.00 C ATOM 1162 C LEU A 77 -6.841 -5.072 -5.823 1.00 0.00 C ATOM 1163 O LEU A 77 -7.621 -4.267 -5.318 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.426 -7.471 -5.141 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.175 -8.508 -6.237 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.467 -9.237 -6.610 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.506 -7.868 -7.455 1.00 0.00 C ATOM 0 H LEU A 77 -6.886 -6.261 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.507 -6.697 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.445 -7.985 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.417 -7.044 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.485 -9.256 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.260 -9.968 -7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.864 -9.747 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.200 -8.516 -6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.339 -8.627 -8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.151 -7.086 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.551 -7.434 -7.159 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.310 -4.946 -7.030 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.625 -3.804 -7.871 1.00 0.00 C ATOM 1181 C ARG A 78 -8.138 -3.692 -8.069 1.00 0.00 C ATOM 1182 O ARG A 78 -8.641 -2.637 -8.450 1.00 0.00 O ATOM 1183 CB ARG A 78 -5.947 -3.923 -9.237 1.00 0.00 C ATOM 1184 CG ARG A 78 -6.723 -4.870 -10.155 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.448 -4.094 -11.256 1.00 0.00 C ATOM 1186 NE ARG A 78 -8.774 -4.701 -11.513 1.00 0.00 N ATOM 1187 CZ ARG A 78 -9.650 -4.243 -12.433 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -9.348 -3.168 -13.191 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -10.806 -4.863 -12.578 1.00 0.00 N ATOM 0 H ARG A 78 -5.663 -5.616 -7.446 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.253 -2.910 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.878 -2.938 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.928 -4.288 -9.110 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.038 -5.590 -10.603 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.446 -5.439 -9.570 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.567 -3.052 -10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.853 -4.100 -12.169 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.042 -5.516 -10.961 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.452 -2.695 -13.071 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.015 -2.829 -13.884 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.026 -5.674 -12.000 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.480 -4.531 -13.268 1.00 0.00 H new ATOM 1203 N SER A 79 -8.821 -4.795 -7.800 1.00 0.00 N ATOM 1204 CA SER A 79 -10.266 -4.834 -7.943 1.00 0.00 C ATOM 1205 C SER A 79 -10.893 -3.615 -7.263 1.00 0.00 C ATOM 1206 O SER A 79 -11.599 -2.837 -7.903 1.00 0.00 O ATOM 1207 CB SER A 79 -10.844 -6.124 -7.357 1.00 0.00 C ATOM 1208 OG SER A 79 -12.161 -6.384 -7.834 1.00 0.00 O ATOM 0 H SER A 79 -8.400 -5.669 -7.484 1.00 0.00 H new ATOM 0 HA SER A 79 -10.504 -4.812 -9.006 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.194 -6.961 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.860 -6.053 -6.269 1.00 0.00 H new ATOM 0 HG SER A 79 -12.494 -7.216 -7.438 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.612 -3.486 -5.975 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.138 -2.375 -5.201 1.00 0.00 C ATOM 1216 C TYR A 80 -10.011 -1.462 -4.715 1.00 0.00 C ATOM 1217 O TYR A 80 -9.556 -1.583 -3.579 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.833 -2.998 -3.988 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.035 -4.121 -3.322 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -10.082 -3.819 -2.371 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.268 -5.435 -3.673 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.330 -4.876 -1.744 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.517 -6.491 -3.047 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.585 -6.160 -2.113 1.00 0.00 C ATOM 1225 OH TYR A 80 -8.876 -7.158 -1.521 1.00 0.00 O ATOM 0 H TYR A 80 -10.026 -4.133 -5.448 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.814 -1.772 -5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -12.026 -2.217 -3.252 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.802 -3.389 -4.299 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.900 -2.790 -2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.014 -5.671 -4.418 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.581 -4.654 -0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.690 -7.523 -3.313 1.00 0.00 H new ATOM 0 HH TYR A 80 -9.165 -8.022 -1.881 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.593 -0.569 -5.600 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.528 0.364 -5.275 1.00 0.00 C ATOM 1237 C LEU A 81 -8.487 1.472 -6.329 1.00 0.00 C ATOM 1238 O LEU A 81 -9.209 1.415 -7.323 1.00 0.00 O ATOM 1239 CB LEU A 81 -7.199 -0.376 -5.110 1.00 0.00 C ATOM 1240 CG LEU A 81 -6.400 -0.047 -3.847 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.475 -1.204 -3.466 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.636 1.268 -4.009 1.00 0.00 C ATOM 0 H LEU A 81 -9.973 -0.472 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.722 0.843 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.399 -1.447 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.575 -0.159 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.102 0.088 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.919 -0.944 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.069 -2.099 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.777 -1.395 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.077 1.478 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.945 1.186 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.341 2.078 -4.197 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.635 2.455 -6.077 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.491 3.574 -6.992 1.00 0.00 C ATOM 1256 C ALA A 82 -6.268 3.345 -7.882 1.00 0.00 C ATOM 1257 O ALA A 82 -5.440 2.483 -7.595 1.00 0.00 O ATOM 1258 CB ALA A 82 -7.396 4.877 -6.194 1.00 0.00 C ATOM 0 H ALA A 82 -7.037 2.499 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.362 3.653 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.288 5.717 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.301 5.007 -5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.531 4.836 -5.532 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.194 4.133 -8.945 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.086 4.027 -9.879 1.00 0.00 C ATOM 1266 C ASP A 83 -3.772 4.271 -9.135 1.00 0.00 C ATOM 1267 O ASP A 83 -3.776 4.555 -7.938 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.201 5.072 -10.991 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.608 5.257 -11.562 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.461 5.780 -10.813 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -6.800 4.870 -12.735 1.00 0.00 O ATOM 0 H ASP A 83 -6.883 4.847 -9.180 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.109 3.029 -10.318 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.853 6.030 -10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.530 4.792 -11.803 1.00 0.00 H new