USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 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 63 THR OG1 : rot 180:sc= -0.266 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 46 LYS NZ :NH3+ 138:sc= 0.992 (180deg=0) USER MOD Set 2.2: A 69 GLN : amide:sc= 0.848 K(o=1.8,f=-2.1) USER MOD Set 3.1: A 37 SER OG : rot -154:sc= -0.855 USER MOD Set 3.2: A 40 GLN : amide:sc= 0.984 K(o=0.13,f=-6.7!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.626 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 170:sc= 0.019 USER MOD Single : A 33 GLN : amide:sc= -0.0958 K(o=-0.096,f=-1.5!) USER MOD Single : A 38 GLN : amide:sc= 0.139 K(o=0.14,f=-1.5) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0327 USER MOD Single : A 50 ASN : amide:sc=-0.00756 X(o=-0.0076,f=-0.47) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -92:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 72 LYS NZ :NH3+ -114:sc= 0.582 (180deg=-0.56) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0.18 (180deg=0.166) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 5.564 -2.619 6.407 1.00 0.00 N ATOM 153 CA TYR A 23 4.281 -3.084 5.946 1.00 0.00 C ATOM 154 C TYR A 23 3.714 -3.978 7.037 1.00 0.00 C ATOM 155 O TYR A 23 3.602 -5.167 6.770 1.00 0.00 O ATOM 156 CB TYR A 23 4.323 -3.678 4.535 1.00 0.00 C ATOM 157 CG TYR A 23 2.990 -3.958 3.898 1.00 0.00 C ATOM 158 CD1 TYR A 23 2.395 -5.227 4.007 1.00 0.00 C ATOM 159 CD2 TYR A 23 2.381 -3.018 3.058 1.00 0.00 C ATOM 160 CE1 TYR A 23 1.184 -5.533 3.401 1.00 0.00 C ATOM 161 CE2 TYR A 23 1.243 -3.342 2.323 1.00 0.00 C ATOM 162 CZ TYR A 23 0.600 -4.570 2.542 1.00 0.00 C ATOM 163 OH TYR A 23 -0.441 -4.960 1.752 1.00 0.00 O ATOM 0 HA TYR A 23 3.589 -2.255 5.798 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.875 -2.994 3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.889 -4.609 4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.898 -5.991 4.582 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.800 -2.026 2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.699 -6.481 3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.857 -2.651 1.588 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.746 -4.200 1.214 1.00 0.00 H new ATOM 173 N TYR A 24 3.247 -3.319 8.097 1.00 0.00 N ATOM 174 CA TYR A 24 2.594 -3.906 9.257 1.00 0.00 C ATOM 175 C TYR A 24 1.078 -3.855 9.325 1.00 0.00 C ATOM 176 O TYR A 24 0.417 -3.534 8.340 1.00 0.00 O ATOM 177 CB TYR A 24 3.205 -3.375 10.554 1.00 0.00 C ATOM 178 CG TYR A 24 4.707 -3.322 10.604 1.00 0.00 C ATOM 179 CD1 TYR A 24 5.482 -4.438 10.272 1.00 0.00 C ATOM 180 CD2 TYR A 24 5.367 -2.141 10.969 1.00 0.00 C ATOM 181 CE1 TYR A 24 6.887 -4.344 10.289 1.00 0.00 C ATOM 182 CE2 TYR A 24 6.754 -1.996 10.877 1.00 0.00 C ATOM 183 CZ TYR A 24 7.538 -3.124 10.571 1.00 0.00 C ATOM 184 OH TYR A 24 8.881 -2.955 10.564 1.00 0.00 O ATOM 0 H TYR A 24 3.321 -2.304 8.169 1.00 0.00 H new ATOM 0 HA TYR A 24 2.797 -4.969 9.127 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.820 -2.370 10.728 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.856 -3.998 11.378 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.004 -5.369 10.003 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.781 -1.311 11.336 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.478 -5.224 10.082 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.217 -1.034 11.038 1.00 0.00 H new ATOM 0 HH TYR A 24 9.095 -2.025 10.788 1.00 0.00 H new ATOM 194 N LYS A 25 0.424 -4.256 10.422 1.00 0.00 N ATOM 195 CA LYS A 25 -1.002 -4.335 10.561 1.00 0.00 C ATOM 196 C LYS A 25 -1.842 -3.069 10.373 1.00 0.00 C ATOM 197 O LYS A 25 -3.004 -3.149 9.999 1.00 0.00 O ATOM 198 CB LYS A 25 -1.335 -4.874 11.954 1.00 0.00 C ATOM 199 CG LYS A 25 -0.737 -6.233 12.292 1.00 0.00 C ATOM 200 CD LYS A 25 -1.344 -6.892 13.533 1.00 0.00 C ATOM 201 CE LYS A 25 -0.540 -8.164 13.771 1.00 0.00 C ATOM 202 NZ LYS A 25 -0.665 -8.686 15.154 1.00 0.00 N ATOM 0 H LYS A 25 0.916 -4.544 11.268 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.278 -4.977 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.993 -4.152 12.695 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.419 -4.940 12.049 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.869 -6.898 11.439 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.336 -6.118 12.443 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.286 -6.227 14.395 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.398 -7.121 13.377 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.869 -8.930 13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.511 -7.967 13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.096 -9.551 15.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.325 -7.970 15.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.662 -8.904 15.354 1.00 0.00 H new ATOM 216 N ILE A 26 -1.252 -1.887 10.571 1.00 0.00 N ATOM 217 CA ILE A 26 -1.595 -0.703 9.800 1.00 0.00 C ATOM 218 C ILE A 26 -2.074 -0.846 8.362 1.00 0.00 C ATOM 219 O ILE A 26 -2.759 0.111 7.959 1.00 0.00 O ATOM 220 CB ILE A 26 -0.401 0.238 9.787 1.00 0.00 C ATOM 221 CG1 ILE A 26 0.948 -0.444 9.552 1.00 0.00 C ATOM 222 CG2 ILE A 26 -0.505 1.058 11.070 1.00 0.00 C ATOM 223 CD1 ILE A 26 2.047 0.573 9.241 1.00 0.00 C ATOM 0 H ILE A 26 -0.526 -1.731 11.270 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.477 -0.342 10.328 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.436 0.896 8.919 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.224 -1.020 10.435 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.860 -1.150 8.726 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.329 1.758 11.123 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.444 1.611 11.073 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.474 0.391 11.932 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.990 0.051 9.080 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.783 1.131 8.343 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.152 1.263 10.078 1.00 0.00 H new ATOM 235 N ILE A 27 -1.592 -1.781 7.558 1.00 0.00 N ATOM 236 CA ILE A 27 -2.006 -2.047 6.194 1.00 0.00 C ATOM 237 C ILE A 27 -2.155 -3.521 5.857 1.00 0.00 C ATOM 238 O ILE A 27 -3.161 -3.887 5.239 1.00 0.00 O ATOM 239 CB ILE A 27 -1.175 -1.254 5.201 1.00 0.00 C ATOM 240 CG1 ILE A 27 -1.575 -1.597 3.777 1.00 0.00 C ATOM 241 CG2 ILE A 27 0.342 -1.438 5.342 1.00 0.00 C ATOM 242 CD1 ILE A 27 -2.929 -0.974 3.456 1.00 0.00 C ATOM 0 H ILE A 27 -0.853 -2.414 7.864 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.028 -1.679 6.104 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.389 -0.210 5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.822 -1.231 3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.624 -2.679 3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.853 -0.834 4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.656 -1.123 6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.596 -2.488 5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.211 -1.223 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.680 -1.362 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.865 0.109 3.561 1.00 0.00 H new ATOM 254 N LYS A 28 -1.261 -4.439 6.253 1.00 0.00 N ATOM 255 CA LYS A 28 -1.269 -5.878 6.146 1.00 0.00 C ATOM 256 C LYS A 28 -2.583 -6.619 6.412 1.00 0.00 C ATOM 257 O LYS A 28 -3.094 -7.403 5.613 1.00 0.00 O ATOM 258 CB LYS A 28 -0.020 -6.482 6.783 1.00 0.00 C ATOM 259 CG LYS A 28 0.149 -7.909 6.292 1.00 0.00 C ATOM 260 CD LYS A 28 1.467 -8.408 6.901 1.00 0.00 C ATOM 261 CE LYS A 28 1.938 -9.790 6.459 1.00 0.00 C ATOM 262 NZ LYS A 28 3.203 -10.136 7.127 1.00 0.00 N ATOM 0 H LYS A 28 -0.406 -4.130 6.716 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.214 -6.068 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.858 -5.889 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.107 -6.466 7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.688 -8.532 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.183 -7.946 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.249 -7.688 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.362 -8.414 7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.178 -10.534 6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.073 -9.807 5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.513 -11.079 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.930 -9.434 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.062 -10.139 8.157 1.00 0.00 H new ATOM 276 N THR A 29 -3.083 -6.394 7.632 1.00 0.00 N ATOM 277 CA THR A 29 -4.339 -6.970 8.095 1.00 0.00 C ATOM 278 C THR A 29 -5.488 -6.107 7.612 1.00 0.00 C ATOM 279 O THR A 29 -6.567 -6.641 7.376 1.00 0.00 O ATOM 280 CB THR A 29 -4.341 -7.205 9.598 1.00 0.00 C ATOM 281 OG1 THR A 29 -4.095 -5.891 10.042 1.00 0.00 O ATOM 282 CG2 THR A 29 -3.222 -8.020 10.243 1.00 0.00 C ATOM 0 H THR A 29 -2.622 -5.804 8.325 1.00 0.00 H new ATOM 0 HA THR A 29 -4.465 -7.963 7.664 1.00 0.00 H new ATOM 0 HB THR A 29 -5.247 -7.757 9.848 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.225 -5.844 11.012 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.390 -8.082 11.318 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.212 -9.024 9.819 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.264 -7.537 10.053 1.00 0.00 H new ATOM 290 N ALA A 30 -5.235 -4.809 7.453 1.00 0.00 N ATOM 291 CA ALA A 30 -6.247 -3.764 7.388 1.00 0.00 C ATOM 292 C ALA A 30 -7.116 -3.938 6.147 1.00 0.00 C ATOM 293 O ALA A 30 -8.330 -3.989 6.310 1.00 0.00 O ATOM 294 CB ALA A 30 -5.589 -2.377 7.422 1.00 0.00 C ATOM 0 H ALA A 30 -4.286 -4.447 7.363 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.894 -3.848 8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.359 -1.607 7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.023 -2.265 8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.917 -2.272 6.571 1.00 0.00 H new ATOM 300 N ARG A 31 -6.457 -4.072 4.997 1.00 0.00 N ATOM 301 CA ARG A 31 -7.121 -4.363 3.729 1.00 0.00 C ATOM 302 C ARG A 31 -8.145 -5.491 3.840 1.00 0.00 C ATOM 303 O ARG A 31 -9.195 -5.419 3.187 1.00 0.00 O ATOM 304 CB ARG A 31 -5.977 -4.704 2.789 1.00 0.00 C ATOM 305 CG ARG A 31 -5.152 -5.924 3.155 1.00 0.00 C ATOM 306 CD ARG A 31 -3.845 -6.143 2.395 1.00 0.00 C ATOM 307 NE ARG A 31 -3.063 -7.285 2.890 1.00 0.00 N ATOM 308 CZ ARG A 31 -2.158 -7.969 2.195 1.00 0.00 C ATOM 309 NH1 ARG A 31 -1.970 -7.960 0.868 1.00 0.00 N ATOM 310 NH2 ARG A 31 -1.404 -8.812 2.912 1.00 0.00 N ATOM 0 H ARG A 31 -5.444 -3.981 4.919 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.714 -3.520 3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.387 -4.854 1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.310 -3.843 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.918 -5.866 4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.776 -6.807 3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.069 -6.297 1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.238 -5.240 2.464 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.229 -7.579 3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.561 -7.379 0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.236 -8.534 0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.547 -8.893 3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.687 -9.373 2.451 1.00 0.00 H new ATOM 324 N GLU A 32 -7.884 -6.525 4.610 1.00 0.00 N ATOM 325 CA GLU A 32 -8.697 -7.692 4.895 1.00 0.00 C ATOM 326 C GLU A 32 -9.872 -7.402 5.831 1.00 0.00 C ATOM 327 O GLU A 32 -10.910 -8.055 5.745 1.00 0.00 O ATOM 328 CB GLU A 32 -7.945 -8.920 5.374 1.00 0.00 C ATOM 329 CG GLU A 32 -6.645 -9.227 4.650 1.00 0.00 C ATOM 330 CD GLU A 32 -6.122 -10.631 4.892 1.00 0.00 C ATOM 331 OE1 GLU A 32 -6.763 -11.589 4.427 1.00 0.00 O ATOM 332 OE2 GLU A 32 -5.064 -10.763 5.554 1.00 0.00 O ATOM 0 H GLU A 32 -6.996 -6.575 5.109 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.086 -7.942 3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.727 -8.798 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.603 -9.784 5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.795 -9.085 3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.888 -8.509 4.964 1.00 0.00 H new ATOM 339 N GLN A 33 -9.638 -6.601 6.860 1.00 0.00 N ATOM 340 CA GLN A 33 -10.617 -6.196 7.848 1.00 0.00 C ATOM 341 C GLN A 33 -11.732 -5.263 7.356 1.00 0.00 C ATOM 342 O GLN A 33 -12.895 -5.307 7.771 1.00 0.00 O ATOM 343 CB GLN A 33 -9.863 -5.799 9.111 1.00 0.00 C ATOM 344 CG GLN A 33 -8.995 -6.915 9.702 1.00 0.00 C ATOM 345 CD GLN A 33 -7.828 -6.389 10.526 1.00 0.00 C ATOM 346 OE1 GLN A 33 -7.554 -5.192 10.600 1.00 0.00 O ATOM 347 NE2 GLN A 33 -7.340 -7.205 11.456 1.00 0.00 N ATOM 0 H GLN A 33 -8.717 -6.199 7.033 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.256 -7.043 8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.229 -4.941 8.888 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.582 -5.476 9.864 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.615 -7.556 10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.610 -7.536 8.893 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.550 -8.202 11.421 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.755 -6.833 12.205 1.00 0.00 H new ATOM 356 N LEU A 34 -11.440 -4.693 6.187 1.00 0.00 N ATOM 357 CA LEU A 34 -12.311 -3.842 5.414 1.00 0.00 C ATOM 358 C LEU A 34 -13.055 -4.614 4.329 1.00 0.00 C ATOM 359 O LEU A 34 -14.100 -4.166 3.872 1.00 0.00 O ATOM 360 CB LEU A 34 -11.514 -2.679 4.785 1.00 0.00 C ATOM 361 CG LEU A 34 -12.388 -1.542 4.275 1.00 0.00 C ATOM 362 CD1 LEU A 34 -13.334 -1.164 5.405 1.00 0.00 C ATOM 363 CD2 LEU A 34 -11.532 -0.387 3.756 1.00 0.00 C ATOM 0 H LEU A 34 -10.534 -4.828 5.738 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.056 -3.438 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.817 -2.286 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.917 -3.065 3.959 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.986 -1.842 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.981 -0.349 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.944 -2.027 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.756 -0.845 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.179 0.413 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.902 -0.010 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.903 -0.739 2.938 1.00 0.00 H new ATOM 375 N GLY A 35 -12.578 -5.826 4.071 1.00 0.00 N ATOM 376 CA GLY A 35 -13.097 -6.900 3.235 1.00 0.00 C ATOM 377 C GLY A 35 -13.033 -6.704 1.726 1.00 0.00 C ATOM 378 O GLY A 35 -13.412 -7.581 0.938 1.00 0.00 O ATOM 0 H GLY A 35 -11.700 -6.115 4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.552 -7.812 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -14.138 -7.068 3.509 1.00 0.00 H new ATOM 382 N ILE A 36 -12.509 -5.540 1.345 1.00 0.00 N ATOM 383 CA ILE A 36 -12.265 -5.113 -0.027 1.00 0.00 C ATOM 384 C ILE A 36 -11.156 -5.884 -0.720 1.00 0.00 C ATOM 385 O ILE A 36 -10.327 -6.554 -0.100 1.00 0.00 O ATOM 386 CB ILE A 36 -12.089 -3.605 -0.092 1.00 0.00 C ATOM 387 CG1 ILE A 36 -10.851 -3.124 0.661 1.00 0.00 C ATOM 388 CG2 ILE A 36 -13.323 -2.811 0.329 1.00 0.00 C ATOM 389 CD1 ILE A 36 -10.350 -1.725 0.299 1.00 0.00 C ATOM 0 H ILE A 36 -12.229 -4.833 2.024 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.154 -5.364 -0.606 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.941 -3.400 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.068 -3.146 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.044 -3.835 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.112 -1.744 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.158 -3.063 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.581 -3.058 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.468 -1.489 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.092 -1.693 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.132 -0.994 0.504 1.00 0.00 H new ATOM 401 N SER A 37 -11.180 -5.930 -2.057 1.00 0.00 N ATOM 402 CA SER A 37 -10.247 -6.689 -2.856 1.00 0.00 C ATOM 403 C SER A 37 -8.984 -5.967 -3.297 1.00 0.00 C ATOM 404 O SER A 37 -8.792 -4.814 -2.926 1.00 0.00 O ATOM 405 CB SER A 37 -10.858 -7.220 -4.153 1.00 0.00 C ATOM 406 OG SER A 37 -11.205 -6.129 -4.989 1.00 0.00 O ATOM 0 H SER A 37 -11.869 -5.425 -2.614 1.00 0.00 H new ATOM 0 HA SER A 37 -9.988 -7.478 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.148 -7.872 -4.662 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.741 -7.820 -3.933 1.00 0.00 H new ATOM 0 HG SER A 37 -11.932 -6.395 -5.589 1.00 0.00 H new ATOM 412 N GLN A 38 -8.029 -6.685 -3.892 1.00 0.00 N ATOM 413 CA GLN A 38 -6.778 -6.142 -4.391 1.00 0.00 C ATOM 414 C GLN A 38 -7.121 -5.085 -5.430 1.00 0.00 C ATOM 415 O GLN A 38 -6.506 -4.019 -5.441 1.00 0.00 O ATOM 416 CB GLN A 38 -5.848 -7.196 -4.982 1.00 0.00 C ATOM 417 CG GLN A 38 -4.558 -6.742 -5.646 1.00 0.00 C ATOM 418 CD GLN A 38 -3.598 -6.129 -4.634 1.00 0.00 C ATOM 419 OE1 GLN A 38 -2.622 -6.683 -4.149 1.00 0.00 O ATOM 420 NE2 GLN A 38 -3.852 -4.848 -4.324 1.00 0.00 N ATOM 0 H GLN A 38 -8.114 -7.690 -4.041 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.228 -5.715 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.582 -7.888 -4.183 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.417 -7.763 -5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.080 -7.591 -6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.784 -6.012 -6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.664 -4.378 -4.724 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.233 -4.345 -3.688 1.00 0.00 H new ATOM 429 N GLN A 39 -8.081 -5.296 -6.340 1.00 0.00 N ATOM 430 CA GLN A 39 -8.425 -4.401 -7.425 1.00 0.00 C ATOM 431 C GLN A 39 -8.974 -3.096 -6.845 1.00 0.00 C ATOM 432 O GLN A 39 -8.643 -2.003 -7.275 1.00 0.00 O ATOM 433 CB GLN A 39 -9.394 -5.036 -8.432 1.00 0.00 C ATOM 434 CG GLN A 39 -10.723 -5.473 -7.827 1.00 0.00 C ATOM 435 CD GLN A 39 -11.861 -5.903 -8.754 1.00 0.00 C ATOM 436 OE1 GLN A 39 -12.177 -7.082 -8.800 1.00 0.00 O ATOM 437 NE2 GLN A 39 -12.340 -5.012 -9.615 1.00 0.00 N ATOM 0 H GLN A 39 -8.658 -6.137 -6.329 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.520 -4.186 -7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.589 -4.322 -9.232 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.912 -5.901 -8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.518 -6.304 -7.152 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.092 -4.649 -7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.056 -4.035 -9.549 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.992 -5.305 -10.342 1.00 0.00 H new ATOM 446 N GLN A 40 -9.807 -3.161 -5.798 1.00 0.00 N ATOM 447 CA GLN A 40 -10.293 -1.997 -5.089 1.00 0.00 C ATOM 448 C GLN A 40 -9.205 -1.209 -4.368 1.00 0.00 C ATOM 449 O GLN A 40 -9.367 0.004 -4.195 1.00 0.00 O ATOM 450 CB GLN A 40 -11.337 -2.382 -4.050 1.00 0.00 C ATOM 451 CG GLN A 40 -12.636 -2.887 -4.678 1.00 0.00 C ATOM 452 CD GLN A 40 -13.543 -3.500 -3.620 1.00 0.00 C ATOM 453 OE1 GLN A 40 -13.356 -4.549 -2.992 1.00 0.00 O ATOM 454 NE2 GLN A 40 -14.671 -2.826 -3.380 1.00 0.00 N ATOM 0 H GLN A 40 -10.160 -4.042 -5.424 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.719 -1.364 -5.868 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.928 -3.155 -3.399 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.554 -1.518 -3.421 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.151 -2.063 -5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.411 -3.628 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.861 -1.956 -3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.342 -3.181 -2.699 1.00 0.00 H new ATOM 463 N LEU A 41 -8.230 -1.854 -3.750 1.00 0.00 N ATOM 464 CA LEU A 41 -7.195 -1.270 -2.908 1.00 0.00 C ATOM 465 C LEU A 41 -6.261 -0.325 -3.638 1.00 0.00 C ATOM 466 O LEU A 41 -5.794 0.652 -3.067 1.00 0.00 O ATOM 467 CB LEU A 41 -6.432 -2.381 -2.209 1.00 0.00 C ATOM 468 CG LEU A 41 -5.596 -2.107 -0.959 1.00 0.00 C ATOM 469 CD1 LEU A 41 -6.538 -1.744 0.189 1.00 0.00 C ATOM 470 CD2 LEU A 41 -4.737 -3.315 -0.616 1.00 0.00 C ATOM 0 H LEU A 41 -8.133 -2.866 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.697 -0.643 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.160 -3.147 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.763 -2.821 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.918 -1.273 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.956 -1.546 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.110 -0.855 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.221 -2.573 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.149 -3.102 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.378 -4.177 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.068 -3.533 -1.448 1.00 0.00 H new ATOM 482 N ALA A 42 -5.894 -0.654 -4.886 1.00 0.00 N ATOM 483 CA ALA A 42 -5.122 0.220 -5.765 1.00 0.00 C ATOM 484 C ALA A 42 -5.909 1.510 -5.955 1.00 0.00 C ATOM 485 O ALA A 42 -5.390 2.639 -5.998 1.00 0.00 O ATOM 486 CB ALA A 42 -4.864 -0.577 -7.026 1.00 0.00 C ATOM 0 H ALA A 42 -6.132 -1.549 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.153 0.528 -5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.287 0.027 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.304 -1.479 -6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.814 -0.854 -7.482 1.00 0.00 H new ATOM 492 N GLN A 43 -7.190 1.409 -6.297 1.00 0.00 N ATOM 493 CA GLN A 43 -8.037 2.536 -6.597 1.00 0.00 C ATOM 494 C GLN A 43 -8.190 3.379 -5.339 1.00 0.00 C ATOM 495 O GLN A 43 -8.591 4.545 -5.356 1.00 0.00 O ATOM 496 CB GLN A 43 -9.410 1.989 -6.963 1.00 0.00 C ATOM 497 CG GLN A 43 -9.516 1.550 -8.419 1.00 0.00 C ATOM 498 CD GLN A 43 -10.918 1.214 -8.923 1.00 0.00 C ATOM 499 OE1 GLN A 43 -11.535 0.221 -8.572 1.00 0.00 O ATOM 500 NE2 GLN A 43 -11.500 2.134 -9.704 1.00 0.00 N ATOM 0 H GLN A 43 -7.671 0.513 -6.372 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.615 3.134 -7.405 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.639 1.141 -6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.162 2.753 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.108 2.343 -9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.883 0.674 -8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.978 2.961 -9.993 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.465 2.007 -10.009 1.00 0.00 H new ATOM 509 N LYS A 44 -7.826 2.867 -4.160 1.00 0.00 N ATOM 510 CA LYS A 44 -7.973 3.572 -2.910 1.00 0.00 C ATOM 511 C LYS A 44 -6.732 4.192 -2.273 1.00 0.00 C ATOM 512 O LYS A 44 -6.846 5.178 -1.539 1.00 0.00 O ATOM 513 CB LYS A 44 -8.626 2.542 -2.003 1.00 0.00 C ATOM 514 CG LYS A 44 -9.197 3.159 -0.729 1.00 0.00 C ATOM 515 CD LYS A 44 -10.034 2.223 0.139 1.00 0.00 C ATOM 516 CE LYS A 44 -10.530 2.777 1.465 1.00 0.00 C ATOM 517 NZ LYS A 44 -11.478 3.892 1.292 1.00 0.00 N ATOM 0 H LYS A 44 -7.417 1.938 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.552 4.479 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.425 2.038 -2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.892 1.781 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.370 3.540 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.812 4.016 -1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.900 1.905 -0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.443 1.330 0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.012 1.979 2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.678 3.117 2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.786 4.234 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.013 4.666 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.305 3.564 0.753 1.00 0.00 H new ATOM 531 N LEU A 45 -5.530 3.787 -2.687 1.00 0.00 N ATOM 532 CA LEU A 45 -4.331 4.100 -1.930 1.00 0.00 C ATOM 533 C LEU A 45 -3.176 4.584 -2.788 1.00 0.00 C ATOM 534 O LEU A 45 -2.059 4.749 -2.300 1.00 0.00 O ATOM 535 CB LEU A 45 -3.916 2.913 -1.079 1.00 0.00 C ATOM 536 CG LEU A 45 -4.814 2.268 -0.027 1.00 0.00 C ATOM 537 CD1 LEU A 45 -4.167 1.068 0.649 1.00 0.00 C ATOM 538 CD2 LEU A 45 -5.171 3.237 1.094 1.00 0.00 C ATOM 0 H LEU A 45 -5.368 3.246 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.588 4.937 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.642 2.120 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.005 3.212 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.699 1.962 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.853 0.652 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.936 0.310 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.248 1.381 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.811 2.735 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.259 3.575 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.698 4.096 0.678 1.00 0.00 H new ATOM 550 N LYS A 46 -3.502 4.950 -4.028 1.00 0.00 N ATOM 551 CA LYS A 46 -2.782 5.013 -5.290 1.00 0.00 C ATOM 552 C LYS A 46 -1.924 3.827 -5.677 1.00 0.00 C ATOM 553 O LYS A 46 -1.756 3.589 -6.876 1.00 0.00 O ATOM 554 CB LYS A 46 -1.956 6.292 -5.412 1.00 0.00 C ATOM 555 CG LYS A 46 -2.791 7.582 -5.401 1.00 0.00 C ATOM 556 CD LYS A 46 -2.104 8.906 -5.736 1.00 0.00 C ATOM 557 CE LYS A 46 -3.121 9.914 -6.238 1.00 0.00 C ATOM 558 NZ LYS A 46 -2.691 11.293 -6.455 1.00 0.00 N ATOM 0 H LYS A 46 -4.458 5.266 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.605 4.999 -6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.240 6.329 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.380 6.253 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.613 7.449 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.233 7.681 -4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.601 9.296 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.337 8.744 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.520 9.540 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.947 9.933 -5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.102 11.650 -7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.010 11.885 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.653 11.327 -6.517 1.00 0.00 H new ATOM 572 N VAL A 47 -1.370 3.011 -4.763 1.00 0.00 N ATOM 573 CA VAL A 47 -0.292 2.074 -4.984 1.00 0.00 C ATOM 574 C VAL A 47 -0.692 0.677 -5.478 1.00 0.00 C ATOM 575 O VAL A 47 -1.766 0.200 -5.128 1.00 0.00 O ATOM 576 CB VAL A 47 0.439 1.804 -3.684 1.00 0.00 C ATOM 577 CG1 VAL A 47 1.169 3.079 -3.271 1.00 0.00 C ATOM 578 CG2 VAL A 47 -0.425 1.305 -2.520 1.00 0.00 C ATOM 0 H VAL A 47 -1.694 3.000 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 47 0.296 2.568 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 47 1.120 0.978 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.702 2.906 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.880 3.359 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.447 3.883 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.203 1.146 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.189 2.048 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.904 0.366 -2.799 1.00 0.00 H new ATOM 588 N SER A 48 0.078 -0.008 -6.324 1.00 0.00 N ATOM 589 CA SER A 48 -0.324 -1.208 -7.029 1.00 0.00 C ATOM 590 C SER A 48 -0.297 -2.579 -6.382 1.00 0.00 C ATOM 591 O SER A 48 0.466 -2.748 -5.435 1.00 0.00 O ATOM 592 CB SER A 48 0.389 -1.227 -8.387 1.00 0.00 C ATOM 593 OG SER A 48 1.718 -1.700 -8.348 1.00 0.00 O ATOM 0 H SER A 48 1.034 0.275 -6.540 1.00 0.00 H new ATOM 0 HA SER A 48 -1.406 -1.082 -7.069 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.184 -1.849 -9.074 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.389 -0.217 -8.796 1.00 0.00 H new ATOM 0 HG SER A 48 2.098 -1.682 -9.251 1.00 0.00 H new ATOM 599 N GLU A 49 -0.974 -3.655 -6.813 1.00 0.00 N ATOM 600 CA GLU A 49 -0.729 -5.012 -6.386 1.00 0.00 C ATOM 601 C GLU A 49 0.714 -5.500 -6.429 1.00 0.00 C ATOM 602 O GLU A 49 1.020 -6.472 -5.745 1.00 0.00 O ATOM 603 CB GLU A 49 -1.552 -6.036 -7.157 1.00 0.00 C ATOM 604 CG GLU A 49 -1.136 -6.498 -8.542 1.00 0.00 C ATOM 605 CD GLU A 49 -1.211 -5.401 -9.599 1.00 0.00 C ATOM 606 OE1 GLU A 49 -0.645 -4.297 -9.426 1.00 0.00 O ATOM 607 OE2 GLU A 49 -1.887 -5.603 -10.613 1.00 0.00 O ATOM 0 H GLU A 49 -1.731 -3.585 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.028 -4.946 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.619 -6.926 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.560 -5.632 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.116 -6.879 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.774 -7.328 -8.846 1.00 0.00 H new ATOM 614 N ASN A 50 1.638 -4.861 -7.140 1.00 0.00 N ATOM 615 CA ASN A 50 3.056 -5.163 -7.182 1.00 0.00 C ATOM 616 C ASN A 50 3.818 -4.467 -6.076 1.00 0.00 C ATOM 617 O ASN A 50 4.823 -4.936 -5.544 1.00 0.00 O ATOM 618 CB ASN A 50 3.621 -4.908 -8.571 1.00 0.00 C ATOM 619 CG ASN A 50 5.069 -5.347 -8.787 1.00 0.00 C ATOM 620 OD1 ASN A 50 6.014 -4.791 -8.238 1.00 0.00 O ATOM 621 ND2 ASN A 50 5.211 -6.286 -9.728 1.00 0.00 N ATOM 0 H ASN A 50 1.397 -4.070 -7.737 1.00 0.00 H new ATOM 0 HA ASN A 50 3.186 -6.227 -6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.992 -5.421 -9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.548 -3.841 -8.783 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.144 -6.574 -10.024 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.387 -6.714 -10.150 1.00 0.00 H new ATOM 628 N ILE A 51 3.373 -3.240 -5.753 1.00 0.00 N ATOM 629 CA ILE A 51 3.765 -2.498 -4.579 1.00 0.00 C ATOM 630 C ILE A 51 3.506 -3.324 -3.326 1.00 0.00 C ATOM 631 O ILE A 51 4.119 -3.192 -2.278 1.00 0.00 O ATOM 632 CB ILE A 51 3.191 -1.092 -4.459 1.00 0.00 C ATOM 633 CG1 ILE A 51 3.582 -0.243 -5.671 1.00 0.00 C ATOM 634 CG2 ILE A 51 3.440 -0.341 -3.160 1.00 0.00 C ATOM 635 CD1 ILE A 51 5.100 -0.067 -5.768 1.00 0.00 C ATOM 0 H ILE A 51 2.706 -2.734 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 51 4.835 -2.323 -4.694 1.00 0.00 H new ATOM 0 HB ILE A 51 2.115 -1.262 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.211 -0.714 -6.581 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.105 0.735 -5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.976 0.644 -3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.010 -0.900 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.513 -0.228 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.341 0.541 -6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.467 0.427 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.574 -1.044 -5.865 1.00 0.00 H new ATOM 647 N VAL A 52 2.406 -4.081 -3.346 1.00 0.00 N ATOM 648 CA VAL A 52 2.166 -4.889 -2.162 1.00 0.00 C ATOM 649 C VAL A 52 3.315 -5.850 -1.917 1.00 0.00 C ATOM 650 O VAL A 52 3.955 -5.652 -0.883 1.00 0.00 O ATOM 651 CB VAL A 52 0.818 -5.609 -2.292 1.00 0.00 C ATOM 652 CG1 VAL A 52 0.629 -6.395 -0.993 1.00 0.00 C ATOM 653 CG2 VAL A 52 -0.283 -4.569 -2.216 1.00 0.00 C ATOM 0 H VAL A 52 1.724 -4.149 -4.101 1.00 0.00 H new ATOM 0 HA VAL A 52 2.115 -4.241 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 52 0.791 -6.204 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.319 -6.931 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.445 -7.108 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.626 -5.706 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.253 -5.058 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.227 -4.049 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.162 -3.851 -3.027 1.00 0.00 H new ATOM 663 N LYS A 53 3.535 -6.813 -2.816 1.00 0.00 N ATOM 664 CA LYS A 53 4.599 -7.802 -2.754 1.00 0.00 C ATOM 665 C LYS A 53 5.945 -7.237 -2.372 1.00 0.00 C ATOM 666 O LYS A 53 6.523 -7.744 -1.404 1.00 0.00 O ATOM 667 CB LYS A 53 4.684 -8.517 -4.102 1.00 0.00 C ATOM 668 CG LYS A 53 3.475 -9.445 -4.181 1.00 0.00 C ATOM 669 CD LYS A 53 3.290 -9.829 -5.636 1.00 0.00 C ATOM 670 CE LYS A 53 2.409 -11.086 -5.619 1.00 0.00 C ATOM 671 NZ LYS A 53 2.136 -11.533 -6.991 1.00 0.00 N ATOM 0 H LYS A 53 2.946 -6.924 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 53 4.343 -8.499 -1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.676 -7.799 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.612 -9.083 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.632 -10.332 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.584 -8.947 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.815 -9.024 -6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.249 -10.028 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.907 -11.880 -5.062 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.472 -10.875 -5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.539 -12.384 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.643 -10.779 -7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.033 -11.753 -7.469 1.00 0.00 H new ATOM 685 N ARG A 54 6.303 -6.094 -2.952 1.00 0.00 N ATOM 686 CA ARG A 54 7.543 -5.424 -2.598 1.00 0.00 C ATOM 687 C ARG A 54 7.703 -5.144 -1.112 1.00 0.00 C ATOM 688 O ARG A 54 8.790 -5.358 -0.580 1.00 0.00 O ATOM 689 CB ARG A 54 7.570 -4.218 -3.543 1.00 0.00 C ATOM 690 CG ARG A 54 8.045 -4.360 -4.983 1.00 0.00 C ATOM 691 CD ARG A 54 7.996 -2.960 -5.581 1.00 0.00 C ATOM 692 NE ARG A 54 8.267 -3.043 -7.010 1.00 0.00 N ATOM 693 CZ ARG A 54 8.565 -2.001 -7.788 1.00 0.00 C ATOM 694 NH1 ARG A 54 8.889 -0.795 -7.302 1.00 0.00 N ATOM 695 NH2 ARG A 54 8.638 -2.231 -9.107 1.00 0.00 N ATOM 0 H ARG A 54 5.752 -5.617 -3.666 1.00 0.00 H new ATOM 0 HA ARG A 54 8.429 -6.043 -2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.557 -3.818 -3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.196 -3.459 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.056 -4.766 -5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.405 -5.045 -5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.017 -2.512 -5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.731 -2.318 -5.095 1.00 0.00 H new ATOM 0 HE ARG A 54 8.226 -3.964 -7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.916 -0.642 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.109 -0.030 -7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.469 -3.169 -9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.863 -1.468 -9.746 1.00 0.00 H new ATOM 709 N PHE A 55 6.688 -4.540 -0.493 1.00 0.00 N ATOM 710 CA PHE A 55 6.730 -4.044 0.877 1.00 0.00 C ATOM 711 C PHE A 55 6.245 -5.139 1.822 1.00 0.00 C ATOM 712 O PHE A 55 6.906 -5.399 2.836 1.00 0.00 O ATOM 713 CB PHE A 55 5.724 -2.886 0.908 1.00 0.00 C ATOM 714 CG PHE A 55 6.169 -1.570 0.336 1.00 0.00 C ATOM 715 CD1 PHE A 55 7.108 -1.465 -0.699 1.00 0.00 C ATOM 716 CD2 PHE A 55 5.484 -0.406 0.721 1.00 0.00 C ATOM 717 CE1 PHE A 55 7.437 -0.214 -1.249 1.00 0.00 C ATOM 718 CE2 PHE A 55 5.678 0.811 0.051 1.00 0.00 C ATOM 719 CZ PHE A 55 6.681 0.919 -0.914 1.00 0.00 C ATOM 0 H PHE A 55 5.789 -4.379 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 55 7.733 -3.741 1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.830 -3.202 0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.431 -2.721 1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.585 -2.356 -1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.793 -0.449 1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.271 -0.125 -1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.054 1.662 0.281 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.873 1.865 -1.398 1.00 0.00 H new ATOM 729 N GLU A 56 5.215 -5.923 1.522 1.00 0.00 N ATOM 730 CA GLU A 56 4.853 -7.141 2.186 1.00 0.00 C ATOM 731 C GLU A 56 6.073 -8.011 2.465 1.00 0.00 C ATOM 732 O GLU A 56 6.175 -8.719 3.475 1.00 0.00 O ATOM 733 CB GLU A 56 3.782 -7.907 1.410 1.00 0.00 C ATOM 734 CG GLU A 56 3.104 -8.872 2.379 1.00 0.00 C ATOM 735 CD GLU A 56 1.994 -9.632 1.663 1.00 0.00 C ATOM 736 OE1 GLU A 56 2.106 -10.056 0.492 1.00 0.00 O ATOM 737 OE2 GLU A 56 0.958 -9.818 2.337 1.00 0.00 O ATOM 0 H GLU A 56 4.579 -5.698 0.757 1.00 0.00 H new ATOM 0 HA GLU A 56 4.422 -6.869 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.053 -7.218 0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.229 -8.452 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.836 -9.573 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.693 -8.322 3.225 1.00 0.00 H new ATOM 744 N SER A 57 7.081 -8.077 1.597 1.00 0.00 N ATOM 745 CA SER A 57 8.187 -9.007 1.721 1.00 0.00 C ATOM 746 C SER A 57 9.367 -8.475 2.515 1.00 0.00 C ATOM 747 O SER A 57 10.375 -9.162 2.722 1.00 0.00 O ATOM 748 CB SER A 57 8.608 -9.428 0.325 1.00 0.00 C ATOM 749 OG SER A 57 9.000 -8.374 -0.529 1.00 0.00 O ATOM 0 H SER A 57 7.147 -7.474 0.777 1.00 0.00 H new ATOM 0 HA SER A 57 7.837 -9.862 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.435 -10.132 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.780 -9.963 -0.141 1.00 0.00 H new ATOM 0 HG SER A 57 8.223 -8.057 -1.036 1.00 0.00 H new ATOM 755 N GLY A 58 9.292 -7.218 2.962 1.00 0.00 N ATOM 756 CA GLY A 58 10.307 -6.455 3.662 1.00 0.00 C ATOM 757 C GLY A 58 11.530 -5.935 2.910 1.00 0.00 C ATOM 758 O GLY A 58 12.480 -5.370 3.450 1.00 0.00 O ATOM 0 H GLY A 58 8.443 -6.669 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.812 -5.593 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.671 -7.075 4.481 1.00 0.00 H new ATOM 762 N LYS A 59 11.426 -6.011 1.574 1.00 0.00 N ATOM 763 CA LYS A 59 12.496 -5.822 0.609 1.00 0.00 C ATOM 764 C LYS A 59 12.675 -4.361 0.219 1.00 0.00 C ATOM 765 O LYS A 59 13.803 -3.980 -0.102 1.00 0.00 O ATOM 766 CB LYS A 59 12.330 -6.827 -0.523 1.00 0.00 C ATOM 767 CG LYS A 59 13.538 -6.698 -1.440 1.00 0.00 C ATOM 768 CD LYS A 59 13.790 -7.870 -2.392 1.00 0.00 C ATOM 769 CE LYS A 59 14.986 -7.636 -3.307 1.00 0.00 C ATOM 770 NZ LYS A 59 15.131 -8.667 -4.349 1.00 0.00 N ATOM 0 H LYS A 59 10.536 -6.219 1.122 1.00 0.00 H new ATOM 0 HA LYS A 59 13.464 -6.048 1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.257 -7.840 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.410 -6.633 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.422 -5.792 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.425 -6.562 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.955 -8.777 -1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.900 -8.038 -2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.886 -6.660 -3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.895 -7.606 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.961 -8.452 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.256 -9.598 -3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.279 -8.681 -4.945 1.00 0.00 H new ATOM 784 N LEU A 60 11.590 -3.587 0.284 1.00 0.00 N ATOM 785 CA LEU A 60 11.417 -2.226 -0.197 1.00 0.00 C ATOM 786 C LEU A 60 10.375 -1.469 0.615 1.00 0.00 C ATOM 787 O LEU A 60 9.394 -2.063 1.039 1.00 0.00 O ATOM 788 CB LEU A 60 10.982 -2.372 -1.645 1.00 0.00 C ATOM 789 CG LEU A 60 11.322 -1.035 -2.319 1.00 0.00 C ATOM 790 CD1 LEU A 60 12.770 -0.740 -2.658 1.00 0.00 C ATOM 791 CD2 LEU A 60 10.522 -0.899 -3.620 1.00 0.00 C ATOM 0 H LEU A 60 10.734 -3.935 0.716 1.00 0.00 H new ATOM 0 HA LEU A 60 12.336 -1.648 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.503 -3.198 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.915 -2.585 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 60 11.062 -0.315 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.841 0.241 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.366 -0.750 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.145 -1.499 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.764 0.050 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.777 -1.719 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.456 -0.932 -3.397 1.00 0.00 H new ATOM 803 N LYS A 61 10.649 -0.240 1.076 1.00 0.00 N ATOM 804 CA LYS A 61 9.705 0.727 1.593 1.00 0.00 C ATOM 805 C LYS A 61 9.725 1.956 0.701 1.00 0.00 C ATOM 806 O LYS A 61 10.587 1.950 -0.165 1.00 0.00 O ATOM 807 CB LYS A 61 10.077 0.947 3.061 1.00 0.00 C ATOM 808 CG LYS A 61 11.410 1.666 3.278 1.00 0.00 C ATOM 809 CD LYS A 61 11.936 1.680 4.708 1.00 0.00 C ATOM 810 CE LYS A 61 12.338 0.357 5.352 1.00 0.00 C ATOM 811 NZ LYS A 61 12.218 0.444 6.813 1.00 0.00 N ATOM 0 H LYS A 61 11.605 0.116 1.093 1.00 0.00 H new ATOM 0 HA LYS A 61 8.665 0.401 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.286 1.523 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.115 -0.020 3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.160 1.198 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.303 2.697 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.804 2.338 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.171 2.135 5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.704 -0.446 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.363 0.108 5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.495 -0.464 7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.841 1.197 7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.233 0.660 7.068 1.00 0.00 H new ATOM 825 N PRO A 62 8.957 3.026 0.935 1.00 0.00 N ATOM 826 CA PRO A 62 8.847 4.191 0.078 1.00 0.00 C ATOM 827 C PRO A 62 10.152 4.776 -0.435 1.00 0.00 C ATOM 828 O PRO A 62 11.116 4.777 0.331 1.00 0.00 O ATOM 829 CB PRO A 62 7.998 5.228 0.804 1.00 0.00 C ATOM 830 CG PRO A 62 7.151 4.330 1.706 1.00 0.00 C ATOM 831 CD PRO A 62 8.124 3.218 2.100 1.00 0.00 C ATOM 0 HA PRO A 62 8.370 3.860 -0.844 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.604 5.931 1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.389 5.816 0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.780 4.869 2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.281 3.937 1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.718 3.502 2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.593 2.303 2.362 1.00 0.00 H new ATOM 839 N THR A 63 10.174 5.406 -1.606 1.00 0.00 N ATOM 840 CA THR A 63 11.321 5.913 -2.338 1.00 0.00 C ATOM 841 C THR A 63 11.206 7.358 -2.755 1.00 0.00 C ATOM 842 O THR A 63 10.180 8.009 -2.610 1.00 0.00 O ATOM 843 CB THR A 63 11.356 5.013 -3.576 1.00 0.00 C ATOM 844 OG1 THR A 63 10.266 5.372 -4.394 1.00 0.00 O ATOM 845 CG2 THR A 63 11.338 3.522 -3.246 1.00 0.00 C ATOM 0 H THR A 63 9.306 5.589 -2.110 1.00 0.00 H new ATOM 0 HA THR A 63 12.218 5.891 -1.720 1.00 0.00 H new ATOM 0 HB THR A 63 12.301 5.169 -4.096 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.262 4.812 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.365 2.944 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.208 3.273 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.429 3.282 -2.694 1.00 0.00 H new ATOM 853 N ILE A 64 12.214 7.810 -3.521 1.00 0.00 N ATOM 854 CA ILE A 64 12.270 9.134 -4.106 1.00 0.00 C ATOM 855 C ILE A 64 11.064 9.294 -5.036 1.00 0.00 C ATOM 856 O ILE A 64 10.301 10.235 -4.885 1.00 0.00 O ATOM 857 CB ILE A 64 13.543 9.602 -4.818 1.00 0.00 C ATOM 858 CG1 ILE A 64 13.513 10.959 -5.513 1.00 0.00 C ATOM 859 CG2 ILE A 64 14.122 8.640 -5.842 1.00 0.00 C ATOM 860 CD1 ILE A 64 13.086 12.102 -4.589 1.00 0.00 C ATOM 0 H ILE A 64 13.028 7.238 -3.748 1.00 0.00 H new ATOM 0 HA ILE A 64 12.264 9.790 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 64 14.171 9.667 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.503 11.176 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.829 10.911 -6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.020 9.074 -6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 64 14.376 7.699 -5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 64 13.386 8.456 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.086 13.039 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.084 11.906 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 64 13.784 12.176 -3.755 1.00 0.00 H new ATOM 872 N SER A 65 10.788 8.430 -6.023 1.00 0.00 N ATOM 873 CA SER A 65 9.684 8.707 -6.930 1.00 0.00 C ATOM 874 C SER A 65 8.331 8.588 -6.234 1.00 0.00 C ATOM 875 O SER A 65 7.342 9.186 -6.658 1.00 0.00 O ATOM 876 CB SER A 65 9.752 7.635 -8.012 1.00 0.00 C ATOM 877 OG SER A 65 9.592 6.322 -7.527 1.00 0.00 O ATOM 0 H SER A 65 11.298 7.565 -6.204 1.00 0.00 H new ATOM 0 HA SER A 65 9.771 9.723 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.980 7.834 -8.755 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.712 7.709 -8.522 1.00 0.00 H new ATOM 0 HG SER A 65 9.645 5.689 -8.273 1.00 0.00 H new ATOM 883 N GLN A 66 8.201 7.952 -5.063 1.00 0.00 N ATOM 884 CA GLN A 66 6.911 7.734 -4.431 1.00 0.00 C ATOM 885 C GLN A 66 6.648 8.767 -3.356 1.00 0.00 C ATOM 886 O GLN A 66 5.501 9.212 -3.387 1.00 0.00 O ATOM 887 CB GLN A 66 6.920 6.322 -3.877 1.00 0.00 C ATOM 888 CG GLN A 66 7.024 5.193 -4.890 1.00 0.00 C ATOM 889 CD GLN A 66 6.641 3.831 -4.308 1.00 0.00 C ATOM 890 OE1 GLN A 66 7.339 3.098 -3.609 1.00 0.00 O ATOM 891 NE2 GLN A 66 5.394 3.476 -4.596 1.00 0.00 N ATOM 0 H GLN A 66 8.990 7.578 -4.535 1.00 0.00 H new ATOM 0 HA GLN A 66 6.101 7.845 -5.152 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.755 6.234 -3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.008 6.177 -3.298 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.378 5.414 -5.740 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.045 5.146 -5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.812 4.081 -5.175 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.018 2.598 -4.238 1.00 0.00 H new ATOM 900 N ALA A 67 7.578 9.066 -2.449 1.00 0.00 N ATOM 901 CA ALA A 67 7.257 9.501 -1.092 1.00 0.00 C ATOM 902 C ALA A 67 6.377 10.733 -0.982 1.00 0.00 C ATOM 903 O ALA A 67 5.439 10.669 -0.185 1.00 0.00 O ATOM 904 CB ALA A 67 8.549 9.702 -0.321 1.00 0.00 C ATOM 0 H ALA A 67 8.579 9.013 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 67 6.651 8.704 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.320 10.027 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.101 8.763 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.154 10.461 -0.817 1.00 0.00 H new ATOM 910 N ARG A 68 6.725 11.882 -1.571 1.00 0.00 N ATOM 911 CA ARG A 68 6.083 13.145 -1.289 1.00 0.00 C ATOM 912 C ARG A 68 4.569 13.112 -1.411 1.00 0.00 C ATOM 913 O ARG A 68 3.882 13.462 -0.458 1.00 0.00 O ATOM 914 CB ARG A 68 6.770 14.291 -2.040 1.00 0.00 C ATOM 915 CG ARG A 68 8.105 14.591 -1.371 1.00 0.00 C ATOM 916 CD ARG A 68 9.044 15.332 -2.305 1.00 0.00 C ATOM 917 NE ARG A 68 8.688 16.712 -2.630 1.00 0.00 N ATOM 918 CZ ARG A 68 9.478 17.613 -3.236 1.00 0.00 C ATOM 919 NH1 ARG A 68 10.594 17.339 -3.910 1.00 0.00 N ATOM 920 NH2 ARG A 68 9.118 18.903 -3.223 1.00 0.00 N ATOM 0 H ARG A 68 7.471 11.949 -2.264 1.00 0.00 H new ATOM 0 HA ARG A 68 6.227 13.351 -0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.925 14.018 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.137 15.179 -2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.937 15.188 -0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.570 13.658 -1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.038 15.333 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.113 14.769 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 68 7.750 17.020 -2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.913 16.374 -3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.130 18.094 -4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.256 19.187 -2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.706 19.601 -3.678 1.00 0.00 H new ATOM 934 N GLN A 69 3.973 12.688 -2.529 1.00 0.00 N ATOM 935 CA GLN A 69 2.554 12.392 -2.605 1.00 0.00 C ATOM 936 C GLN A 69 2.080 11.284 -1.678 1.00 0.00 C ATOM 937 O GLN A 69 0.960 11.383 -1.172 1.00 0.00 O ATOM 938 CB GLN A 69 2.354 12.124 -4.090 1.00 0.00 C ATOM 939 CG GLN A 69 0.946 11.625 -4.406 1.00 0.00 C ATOM 940 CD GLN A 69 0.847 11.217 -5.870 1.00 0.00 C ATOM 941 OE1 GLN A 69 0.128 11.811 -6.666 1.00 0.00 O ATOM 942 NE2 GLN A 69 1.406 10.094 -6.305 1.00 0.00 N ATOM 0 H GLN A 69 4.471 12.542 -3.407 1.00 0.00 H new ATOM 0 HA GLN A 69 1.931 13.209 -2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.547 13.038 -4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.082 11.385 -4.425 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.702 10.776 -3.767 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.218 12.407 -4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.015 9.555 -5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.227 9.770 -7.255 1.00 0.00 H new ATOM 951 N LEU A 70 2.807 10.174 -1.481 1.00 0.00 N ATOM 952 CA LEU A 70 2.497 8.949 -0.774 1.00 0.00 C ATOM 953 C LEU A 70 2.092 9.305 0.640 1.00 0.00 C ATOM 954 O LEU A 70 1.001 8.973 1.105 1.00 0.00 O ATOM 955 CB LEU A 70 3.618 7.916 -0.842 1.00 0.00 C ATOM 956 CG LEU A 70 3.174 6.542 -0.328 1.00 0.00 C ATOM 957 CD1 LEU A 70 3.454 5.435 -1.339 1.00 0.00 C ATOM 958 CD2 LEU A 70 4.000 6.246 0.914 1.00 0.00 C ATOM 0 H LEU A 70 3.748 10.122 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 70 1.661 8.453 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.961 7.823 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.467 8.265 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 70 2.101 6.567 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.123 4.479 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.915 5.642 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.524 5.392 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.717 5.273 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.058 6.237 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.818 7.016 1.664 1.00 0.00 H new ATOM 970 N GLU A 71 2.972 10.024 1.339 1.00 0.00 N ATOM 971 CA GLU A 71 2.785 10.563 2.680 1.00 0.00 C ATOM 972 C GLU A 71 1.441 11.289 2.801 1.00 0.00 C ATOM 973 O GLU A 71 0.615 11.094 3.678 1.00 0.00 O ATOM 974 CB GLU A 71 3.914 11.500 3.058 1.00 0.00 C ATOM 975 CG GLU A 71 5.238 10.720 3.183 1.00 0.00 C ATOM 976 CD GLU A 71 6.208 11.598 3.952 1.00 0.00 C ATOM 977 OE1 GLU A 71 6.710 12.570 3.355 1.00 0.00 O ATOM 978 OE2 GLU A 71 6.372 11.412 5.177 1.00 0.00 O ATOM 0 H GLU A 71 3.889 10.258 0.957 1.00 0.00 H new ATOM 0 HA GLU A 71 2.789 9.720 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.014 12.282 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.685 11.994 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.080 9.775 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.636 10.479 2.198 1.00 0.00 H new ATOM 985 N LYS A 72 1.166 12.160 1.838 1.00 0.00 N ATOM 986 CA LYS A 72 0.118 13.163 1.927 1.00 0.00 C ATOM 987 C LYS A 72 -1.279 12.578 1.788 1.00 0.00 C ATOM 988 O LYS A 72 -2.201 13.012 2.480 1.00 0.00 O ATOM 989 CB LYS A 72 0.378 14.284 0.928 1.00 0.00 C ATOM 990 CG LYS A 72 1.445 15.258 1.417 1.00 0.00 C ATOM 991 CD LYS A 72 1.717 16.366 0.400 1.00 0.00 C ATOM 992 CE LYS A 72 2.996 17.118 0.707 1.00 0.00 C ATOM 993 NZ LYS A 72 4.161 16.232 0.553 1.00 0.00 N ATOM 0 H LYS A 72 1.677 12.187 0.956 1.00 0.00 H new ATOM 0 HA LYS A 72 0.151 13.585 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.690 13.854 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.549 14.826 0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.126 15.702 2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.368 14.714 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.782 15.934 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.880 17.064 0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.091 17.974 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.960 17.509 1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.611 16.086 1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.852 15.316 0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.845 16.667 -0.099 1.00 0.00 H new ATOM 1007 N ILE A 73 -1.403 11.562 0.926 1.00 0.00 N ATOM 1008 CA ILE A 73 -2.671 10.910 0.660 1.00 0.00 C ATOM 1009 C ILE A 73 -3.215 10.150 1.866 1.00 0.00 C ATOM 1010 O ILE A 73 -4.422 9.926 1.979 1.00 0.00 O ATOM 1011 CB ILE A 73 -2.584 10.130 -0.655 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -1.505 9.054 -0.650 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -2.471 11.121 -1.801 1.00 0.00 C ATOM 1014 CD1 ILE A 73 -1.572 7.939 -1.688 1.00 0.00 C ATOM 0 H ILE A 73 -0.621 11.175 0.398 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.445 11.662 0.505 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.500 9.555 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.542 9.552 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.509 8.588 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.408 10.580 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.349 11.767 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.575 11.728 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.732 7.259 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.507 7.390 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.525 8.370 -2.688 1.00 0.00 H new ATOM 1026 N LEU A 74 -2.332 9.681 2.739 1.00 0.00 N ATOM 1027 CA LEU A 74 -2.519 9.031 4.026 1.00 0.00 C ATOM 1028 C LEU A 74 -1.239 8.345 4.489 1.00 0.00 C ATOM 1029 O LEU A 74 -1.097 8.136 5.689 1.00 0.00 O ATOM 1030 CB LEU A 74 -3.706 8.086 4.209 1.00 0.00 C ATOM 1031 CG LEU A 74 -3.546 6.741 3.483 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -4.853 5.977 3.697 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -3.338 6.857 1.984 1.00 0.00 C ATOM 0 H LEU A 74 -1.337 9.760 2.530 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.781 9.880 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.849 7.899 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.609 8.578 3.848 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.659 6.253 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.794 5.009 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.016 5.827 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.682 6.549 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.235 5.861 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.195 7.359 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.435 7.434 1.786 1.00 0.00 H new ATOM 1045 N GLY A 75 -0.307 8.035 3.582 1.00 0.00 N ATOM 1046 CA GLY A 75 0.857 7.215 3.858 1.00 0.00 C ATOM 1047 C GLY A 75 0.534 5.733 3.956 1.00 0.00 C ATOM 1048 O GLY A 75 1.236 4.929 4.586 1.00 0.00 O ATOM 0 H GLY A 75 -0.350 8.359 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.596 7.368 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.312 7.544 4.792 1.00 0.00 H new ATOM 1052 N ILE A 76 -0.508 5.376 3.209 1.00 0.00 N ATOM 1053 CA ILE A 76 -0.993 4.083 2.784 1.00 0.00 C ATOM 1054 C ILE A 76 -1.463 3.203 3.953 1.00 0.00 C ATOM 1055 O ILE A 76 -1.758 2.043 3.721 1.00 0.00 O ATOM 1056 CB ILE A 76 -0.122 3.352 1.754 1.00 0.00 C ATOM 1057 CG1 ILE A 76 1.083 2.609 2.313 1.00 0.00 C ATOM 1058 CG2 ILE A 76 0.190 4.199 0.529 1.00 0.00 C ATOM 1059 CD1 ILE A 76 1.642 1.582 1.341 1.00 0.00 C ATOM 0 H ILE A 76 -1.116 6.106 2.838 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.889 4.314 2.209 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.761 2.540 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.863 3.328 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.799 2.110 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.809 3.626 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.740 4.480 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.725 5.098 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.500 1.083 1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.874 0.845 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.954 2.081 0.424 1.00 0.00 H new ATOM 1071 N LYS A 77 -1.544 3.706 5.186 1.00 0.00 N ATOM 1072 CA LYS A 77 -2.053 3.121 6.416 1.00 0.00 C ATOM 1073 C LYS A 77 -3.555 2.923 6.381 1.00 0.00 C ATOM 1074 O LYS A 77 -4.090 3.737 5.638 1.00 0.00 O ATOM 1075 CB LYS A 77 -1.478 3.889 7.598 1.00 0.00 C ATOM 1076 CG LYS A 77 -2.040 5.310 7.686 1.00 0.00 C ATOM 1077 CD LYS A 77 -1.356 6.050 8.825 1.00 0.00 C ATOM 1078 CE LYS A 77 -2.012 7.396 9.108 1.00 0.00 C ATOM 1079 NZ LYS A 77 -1.146 8.554 8.822 1.00 0.00 N ATOM 0 H LYS A 77 -1.210 4.654 5.361 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.705 2.095 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.700 3.353 8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.393 3.933 7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.878 5.837 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.117 5.278 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.385 5.436 9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.305 6.204 8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.921 7.479 8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.313 7.430 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.604 9.423 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.233 8.432 9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.989 8.625 7.796 1.00 0.00 H new ATOM 1093 N LEU A 78 -4.234 1.981 7.051 1.00 0.00 N ATOM 1094 CA LEU A 78 -5.677 1.815 6.888 1.00 0.00 C ATOM 1095 C LEU A 78 -6.401 1.618 8.206 1.00 0.00 C ATOM 1096 O LEU A 78 -5.878 1.065 9.174 1.00 0.00 O ATOM 1097 CB LEU A 78 -6.154 0.822 5.845 1.00 0.00 C ATOM 1098 CG LEU A 78 -6.373 1.382 4.439 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -6.672 0.289 3.413 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -7.444 2.437 4.234 1.00 0.00 C ATOM 0 H LEU A 78 -3.806 1.328 7.707 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.958 2.780 6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.427 0.012 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.090 0.384 6.190 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.410 1.872 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.819 0.741 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.835 -0.408 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.575 -0.247 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.472 2.728 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.414 2.032 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.217 3.310 4.846 1.00 0.00 H new