USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 755 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 30 CYS SG : rot 39:sc= 0.75 USER MOD Set 1.2: A 33 CYS SG : rot -43:sc= -3.43! USER MOD Set 1.3: A 64 HIS : no HE2:sc= -5.23! C(o=-8!,f=-10!) USER MOD Set 1.4: A 67 CYS SG : rot -156:sc= -0.113 USER MOD Set 2.1: A 47 LYS NZ :NH3+ -125:sc= -0.318 (180deg=-1.48!) USER MOD Set 2.2: A 58 MET CE :methyl -168:sc= -2.44! (180deg=-3.04!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -53:sc= 1.4 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.16) USER MOD Single : A 28 SER OG : rot 161:sc= 0.611 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00805) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0675 K(o=-0.068,f=-1.3) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0313) USER MOD Single : A 48 MET CE :methyl -143:sc= -0.15 (180deg=-1.47) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= -0.162 (180deg=-0.921) USER MOD Single : A 71 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.024) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -19:sc= 0.19 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.451 F(o=-1.4,f=-0.45) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= -0.477 (180deg=-0.592) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 16.722 14.630 -3.520 1.00 0.00 N ATOM 132 CA LYS A 13 15.657 14.732 -4.511 1.00 0.00 C ATOM 133 C LYS A 13 14.866 13.431 -4.595 1.00 0.00 C ATOM 134 O LYS A 13 14.579 12.935 -5.686 1.00 0.00 O ATOM 135 CB LYS A 13 16.240 15.077 -5.883 1.00 0.00 C ATOM 136 CG LYS A 13 16.957 16.415 -5.920 1.00 0.00 C ATOM 137 CD LYS A 13 15.976 17.570 -6.032 1.00 0.00 C ATOM 138 CE LYS A 13 15.660 18.167 -4.669 1.00 0.00 C ATOM 139 NZ LYS A 13 14.344 18.863 -4.660 1.00 0.00 N ATOM 0 HA LYS A 13 14.981 15.528 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 13 16.936 14.293 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.436 15.085 -6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.557 16.532 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.645 16.437 -6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.392 18.341 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.055 17.223 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.658 17.377 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.445 18.870 -4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.166 19.256 -3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.354 19.633 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.592 18.187 -4.901 1.00 0.00 H new ATOM 153 N THR A 14 14.513 12.881 -3.437 1.00 0.00 N ATOM 154 CA THR A 14 13.755 11.638 -3.380 1.00 0.00 C ATOM 155 C THR A 14 12.363 11.869 -2.804 1.00 0.00 C ATOM 156 O THR A 14 12.181 12.691 -1.905 1.00 0.00 O ATOM 157 CB THR A 14 14.480 10.576 -2.532 1.00 0.00 C ATOM 158 OG1 THR A 14 15.825 10.413 -2.996 1.00 0.00 O ATOM 159 CG2 THR A 14 13.751 9.242 -2.597 1.00 0.00 C ATOM 0 H THR A 14 14.741 13.278 -2.525 1.00 0.00 H new ATOM 0 HA THR A 14 13.666 11.275 -4.404 1.00 0.00 H new ATOM 0 HB THR A 14 14.492 10.916 -1.496 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.280 9.737 -2.451 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.281 8.508 -1.991 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.737 9.363 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.712 8.899 -3.631 1.00 0.00 H new ATOM 167 N LEU A 15 11.383 11.139 -3.325 1.00 0.00 N ATOM 168 CA LEU A 15 10.006 11.264 -2.861 1.00 0.00 C ATOM 169 C LEU A 15 9.840 10.649 -1.475 1.00 0.00 C ATOM 170 O LEU A 15 9.913 9.431 -1.312 1.00 0.00 O ATOM 171 CB LEU A 15 9.051 10.590 -3.848 1.00 0.00 C ATOM 172 CG LEU A 15 9.164 11.040 -5.305 1.00 0.00 C ATOM 173 CD1 LEU A 15 8.329 10.144 -6.206 1.00 0.00 C ATOM 174 CD2 LEU A 15 8.736 12.493 -5.449 1.00 0.00 C ATOM 0 H LEU A 15 11.517 10.454 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 15 9.765 12.325 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.218 9.514 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.029 10.767 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 15 10.207 10.958 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.422 10.479 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.682 9.116 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.284 10.194 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.823 12.796 -6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.701 12.601 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.377 13.124 -4.833 1.00 0.00 H new ATOM 186 N GLY A 16 9.615 11.499 -0.478 1.00 0.00 N ATOM 187 CA GLY A 16 9.441 11.021 0.881 1.00 0.00 C ATOM 188 C GLY A 16 8.070 10.414 1.110 1.00 0.00 C ATOM 189 O GLY A 16 7.944 9.381 1.768 1.00 0.00 O ATOM 0 H GLY A 16 9.550 12.511 -0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.206 10.277 1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.590 11.848 1.576 1.00 0.00 H new ATOM 193 N ASP A 17 7.042 11.058 0.569 1.00 0.00 N ATOM 194 CA ASP A 17 5.674 10.576 0.719 1.00 0.00 C ATOM 195 C ASP A 17 5.489 9.238 0.011 1.00 0.00 C ATOM 196 O ASP A 17 4.815 8.342 0.522 1.00 0.00 O ATOM 197 CB ASP A 17 4.686 11.602 0.162 1.00 0.00 C ATOM 198 CG ASP A 17 4.938 11.916 -1.299 1.00 0.00 C ATOM 199 OD1 ASP A 17 6.089 11.744 -1.752 1.00 0.00 O ATOM 200 OD2 ASP A 17 3.985 12.335 -1.990 1.00 0.00 O ATOM 0 H ASP A 17 7.130 11.915 0.023 1.00 0.00 H new ATOM 0 HA ASP A 17 5.479 10.434 1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.670 11.224 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.754 12.521 0.745 1.00 0.00 H new ATOM 205 N PHE A 18 6.090 9.109 -1.167 1.00 0.00 N ATOM 206 CA PHE A 18 5.990 7.880 -1.946 1.00 0.00 C ATOM 207 C PHE A 18 7.264 7.051 -1.820 1.00 0.00 C ATOM 208 O PHE A 18 8.370 7.590 -1.815 1.00 0.00 O ATOM 209 CB PHE A 18 5.722 8.204 -3.417 1.00 0.00 C ATOM 210 CG PHE A 18 4.390 8.856 -3.654 1.00 0.00 C ATOM 211 CD1 PHE A 18 3.240 8.092 -3.764 1.00 0.00 C ATOM 212 CD2 PHE A 18 4.289 10.234 -3.768 1.00 0.00 C ATOM 213 CE1 PHE A 18 2.012 8.689 -3.982 1.00 0.00 C ATOM 214 CE2 PHE A 18 3.064 10.836 -3.986 1.00 0.00 C ATOM 215 CZ PHE A 18 1.925 10.063 -4.094 1.00 0.00 C ATOM 0 H PHE A 18 6.651 9.840 -1.603 1.00 0.00 H new ATOM 0 HA PHE A 18 5.158 7.297 -1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.510 8.861 -3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.776 7.284 -3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.303 7.017 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.177 10.843 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.122 8.082 -4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.998 11.911 -4.072 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.967 10.532 -4.266 1.00 0.00 H new ATOM 225 N ALA A 19 7.100 5.736 -1.717 1.00 0.00 N ATOM 226 CA ALA A 19 8.236 4.831 -1.592 1.00 0.00 C ATOM 227 C ALA A 19 7.902 3.451 -2.147 1.00 0.00 C ATOM 228 O ALA A 19 6.748 3.024 -2.122 1.00 0.00 O ATOM 229 CB ALA A 19 8.670 4.727 -0.138 1.00 0.00 C ATOM 0 H ALA A 19 6.191 5.274 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 19 9.060 5.239 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.519 4.048 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.959 5.713 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.844 4.346 0.462 1.00 0.00 H new ATOM 235 N ALA A 20 8.919 2.758 -2.649 1.00 0.00 N ATOM 236 CA ALA A 20 8.733 1.425 -3.209 1.00 0.00 C ATOM 237 C ALA A 20 9.766 0.448 -2.656 1.00 0.00 C ATOM 238 O ALA A 20 10.967 0.711 -2.699 1.00 0.00 O ATOM 239 CB ALA A 20 8.812 1.475 -4.728 1.00 0.00 C ATOM 0 H ALA A 20 9.880 3.098 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 20 7.744 1.071 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.671 0.473 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.033 2.134 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.788 1.854 -5.029 1.00 0.00 H new ATOM 245 N GLU A 21 9.288 -0.678 -2.136 1.00 0.00 N ATOM 246 CA GLU A 21 10.172 -1.693 -1.573 1.00 0.00 C ATOM 247 C GLU A 21 9.438 -3.021 -1.407 1.00 0.00 C ATOM 248 O GLU A 21 8.223 -3.099 -1.590 1.00 0.00 O ATOM 249 CB GLU A 21 10.722 -1.229 -0.222 1.00 0.00 C ATOM 250 CG GLU A 21 9.676 -1.191 0.880 1.00 0.00 C ATOM 251 CD GLU A 21 10.288 -1.050 2.260 1.00 0.00 C ATOM 252 OE1 GLU A 21 10.994 -0.047 2.497 1.00 0.00 O ATOM 253 OE2 GLU A 21 10.061 -1.943 3.103 1.00 0.00 O ATOM 0 H GLU A 21 8.296 -0.911 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 21 11.002 -1.840 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.531 -1.894 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.153 -0.234 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.996 -0.358 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.080 -2.103 0.842 1.00 0.00 H new ATOM 260 N TYR A 22 10.185 -4.063 -1.060 1.00 0.00 N ATOM 261 CA TYR A 22 9.608 -5.389 -0.873 1.00 0.00 C ATOM 262 C TYR A 22 8.824 -5.461 0.434 1.00 0.00 C ATOM 263 O TYR A 22 9.204 -4.853 1.434 1.00 0.00 O ATOM 264 CB TYR A 22 10.707 -6.452 -0.881 1.00 0.00 C ATOM 265 CG TYR A 22 11.596 -6.395 -2.103 1.00 0.00 C ATOM 266 CD1 TYR A 22 11.056 -6.450 -3.382 1.00 0.00 C ATOM 267 CD2 TYR A 22 12.976 -6.286 -1.978 1.00 0.00 C ATOM 268 CE1 TYR A 22 11.864 -6.399 -4.501 1.00 0.00 C ATOM 269 CE2 TYR A 22 13.791 -6.233 -3.092 1.00 0.00 C ATOM 270 CZ TYR A 22 13.231 -6.291 -4.351 1.00 0.00 C ATOM 271 OH TYR A 22 14.040 -6.238 -5.463 1.00 0.00 O ATOM 0 H TYR A 22 11.192 -4.015 -0.902 1.00 0.00 H new ATOM 0 HA TYR A 22 8.922 -5.580 -1.699 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.322 -6.333 0.011 1.00 0.00 H new ATOM 0 HB3 TYR A 22 10.247 -7.438 -0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.986 -6.534 -3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 22 13.418 -6.242 -0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.428 -6.443 -5.488 1.00 0.00 H new ATOM 0 HE2 TYR A 22 14.861 -6.147 -2.978 1.00 0.00 H new ATOM 0 HH TYR A 22 13.840 -6.997 -6.049 1.00 0.00 H new ATOM 281 N ALA A 23 7.727 -6.212 0.417 1.00 0.00 N ATOM 282 CA ALA A 23 6.890 -6.368 1.600 1.00 0.00 C ATOM 283 C ALA A 23 7.657 -7.047 2.730 1.00 0.00 C ATOM 284 O ALA A 23 8.333 -8.054 2.517 1.00 0.00 O ATOM 285 CB ALA A 23 5.637 -7.160 1.259 1.00 0.00 C ATOM 0 H ALA A 23 7.398 -6.722 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 23 6.597 -5.375 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.021 -7.269 2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.072 -6.633 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.919 -8.146 0.890 1.00 0.00 H new ATOM 291 N LYS A 24 7.548 -6.490 3.931 1.00 0.00 N ATOM 292 CA LYS A 24 8.230 -7.042 5.095 1.00 0.00 C ATOM 293 C LYS A 24 7.475 -8.247 5.648 1.00 0.00 C ATOM 294 O LYS A 24 8.064 -9.296 5.905 1.00 0.00 O ATOM 295 CB LYS A 24 8.374 -5.974 6.182 1.00 0.00 C ATOM 296 CG LYS A 24 9.395 -4.900 5.848 1.00 0.00 C ATOM 297 CD LYS A 24 9.533 -3.892 6.976 1.00 0.00 C ATOM 298 CE LYS A 24 10.287 -4.480 8.159 1.00 0.00 C ATOM 299 NZ LYS A 24 10.164 -3.628 9.374 1.00 0.00 N ATOM 0 H LYS A 24 6.993 -5.656 4.124 1.00 0.00 H new ATOM 0 HA LYS A 24 9.222 -7.369 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.405 -5.503 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.659 -6.456 7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.362 -5.364 5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.098 -4.386 4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.056 -3.007 6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.544 -3.567 7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.904 -5.477 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.340 -4.592 7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.691 -4.063 10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.553 -2.684 9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.162 -3.541 9.637 1.00 0.00 H new ATOM 313 N SER A 25 6.167 -8.088 5.828 1.00 0.00 N ATOM 314 CA SER A 25 5.332 -9.162 6.353 1.00 0.00 C ATOM 315 C SER A 25 4.066 -9.323 5.517 1.00 0.00 C ATOM 316 O SER A 25 3.658 -8.407 4.805 1.00 0.00 O ATOM 317 CB SER A 25 4.961 -8.882 7.811 1.00 0.00 C ATOM 318 OG SER A 25 6.121 -8.745 8.614 1.00 0.00 O ATOM 0 H SER A 25 5.663 -7.226 5.618 1.00 0.00 H new ATOM 0 HA SER A 25 5.902 -10.090 6.302 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.364 -7.972 7.870 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.343 -9.693 8.195 1.00 0.00 H new ATOM 0 HG SER A 25 5.858 -8.565 9.541 1.00 0.00 H new ATOM 324 N ASN A 26 3.450 -10.497 5.609 1.00 0.00 N ATOM 325 CA ASN A 26 2.230 -10.781 4.861 1.00 0.00 C ATOM 326 C ASN A 26 0.996 -10.356 5.651 1.00 0.00 C ATOM 327 O ASN A 26 -0.031 -11.034 5.628 1.00 0.00 O ATOM 328 CB ASN A 26 2.148 -12.272 4.526 1.00 0.00 C ATOM 329 CG ASN A 26 2.436 -13.151 5.728 1.00 0.00 C ATOM 330 OD1 ASN A 26 1.561 -13.391 6.560 1.00 0.00 O ATOM 331 ND2 ASN A 26 3.669 -13.634 5.825 1.00 0.00 N ATOM 0 H ASN A 26 3.775 -11.267 6.194 1.00 0.00 H new ATOM 0 HA ASN A 26 2.260 -10.209 3.934 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.154 -12.501 4.141 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.858 -12.503 3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.923 -14.230 6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.362 -13.409 5.112 1.00 0.00 H new ATOM 338 N ARG A 27 1.106 -9.230 6.349 1.00 0.00 N ATOM 339 CA ARG A 27 -0.001 -8.715 7.146 1.00 0.00 C ATOM 340 C ARG A 27 -0.731 -7.599 6.406 1.00 0.00 C ATOM 341 O ARG A 27 -1.955 -7.624 6.274 1.00 0.00 O ATOM 342 CB ARG A 27 0.510 -8.200 8.493 1.00 0.00 C ATOM 343 CG ARG A 27 0.527 -9.259 9.583 1.00 0.00 C ATOM 344 CD ARG A 27 1.515 -10.371 9.265 1.00 0.00 C ATOM 345 NE ARG A 27 1.589 -11.361 10.336 1.00 0.00 N ATOM 346 CZ ARG A 27 2.641 -12.146 10.540 1.00 0.00 C ATOM 347 NH1 ARG A 27 3.702 -12.056 9.750 1.00 0.00 N ATOM 348 NH2 ARG A 27 2.633 -13.022 11.536 1.00 0.00 N ATOM 0 H ARG A 27 1.950 -8.658 6.379 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.702 -9.531 7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.519 -7.808 8.363 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.116 -7.368 8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.790 -8.798 10.535 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.472 -9.680 9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.222 -10.862 8.337 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.503 -9.942 9.100 1.00 0.00 H new ATOM 0 HE ARG A 27 0.789 -11.455 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.712 -11.383 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.509 -12.660 9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.819 -13.093 12.146 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.441 -13.624 11.692 1.00 0.00 H new ATOM 362 N SER A 28 0.028 -6.619 5.926 1.00 0.00 N ATOM 363 CA SER A 28 -0.546 -5.490 5.203 1.00 0.00 C ATOM 364 C SER A 28 -1.548 -5.969 4.156 1.00 0.00 C ATOM 365 O SER A 28 -1.455 -7.092 3.658 1.00 0.00 O ATOM 366 CB SER A 28 0.558 -4.672 4.532 1.00 0.00 C ATOM 367 OG SER A 28 0.028 -3.513 3.912 1.00 0.00 O ATOM 0 H SER A 28 1.043 -6.584 6.025 1.00 0.00 H new ATOM 0 HA SER A 28 -1.070 -4.859 5.921 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.303 -4.383 5.273 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.069 -5.285 3.789 1.00 0.00 H new ATOM 0 HG SER A 28 0.747 -2.864 3.764 1.00 0.00 H new ATOM 373 N THR A 29 -2.507 -5.109 3.827 1.00 0.00 N ATOM 374 CA THR A 29 -3.527 -5.443 2.841 1.00 0.00 C ATOM 375 C THR A 29 -3.897 -4.227 1.999 1.00 0.00 C ATOM 376 O THR A 29 -4.243 -3.172 2.533 1.00 0.00 O ATOM 377 CB THR A 29 -4.798 -5.995 3.512 1.00 0.00 C ATOM 378 OG1 THR A 29 -4.457 -7.062 4.405 1.00 0.00 O ATOM 379 CG2 THR A 29 -5.787 -6.495 2.470 1.00 0.00 C ATOM 0 H THR A 29 -2.598 -4.176 4.229 1.00 0.00 H new ATOM 0 HA THR A 29 -3.103 -6.212 2.196 1.00 0.00 H new ATOM 0 HB THR A 29 -5.265 -5.187 4.074 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.271 -7.407 4.829 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.677 -6.880 2.968 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.067 -5.674 1.811 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.327 -7.290 1.884 1.00 0.00 H new ATOM 387 N CYS A 30 -3.823 -4.380 0.682 1.00 0.00 N ATOM 388 CA CYS A 30 -4.151 -3.294 -0.235 1.00 0.00 C ATOM 389 C CYS A 30 -5.607 -2.867 -0.073 1.00 0.00 C ATOM 390 O CYS A 30 -6.448 -3.646 0.376 1.00 0.00 O ATOM 391 CB CYS A 30 -3.891 -3.723 -1.680 1.00 0.00 C ATOM 392 SG CYS A 30 -4.214 -2.420 -2.911 1.00 0.00 S ATOM 0 H CYS A 30 -3.539 -5.246 0.225 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.513 -2.444 0.005 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.854 -4.045 -1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.515 -4.587 -1.909 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.812 -1.275 -2.446 1.00 0.00 H new ATOM 397 N LYS A 31 -5.898 -1.624 -0.443 1.00 0.00 N ATOM 398 CA LYS A 31 -7.251 -1.092 -0.342 1.00 0.00 C ATOM 399 C LYS A 31 -7.915 -1.028 -1.714 1.00 0.00 C ATOM 400 O LYS A 31 -9.138 -1.098 -1.826 1.00 0.00 O ATOM 401 CB LYS A 31 -7.227 0.301 0.291 1.00 0.00 C ATOM 402 CG LYS A 31 -7.199 0.279 1.810 1.00 0.00 C ATOM 403 CD LYS A 31 -5.854 -0.192 2.336 1.00 0.00 C ATOM 404 CE LYS A 31 -5.897 -0.439 3.836 1.00 0.00 C ATOM 405 NZ LYS A 31 -6.156 0.814 4.597 1.00 0.00 N ATOM 0 H LYS A 31 -5.214 -0.966 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.832 -1.762 0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.353 0.841 -0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.105 0.856 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.411 1.277 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.986 -0.378 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.563 -1.109 1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.092 0.555 2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.675 -1.168 4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.951 -0.872 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.144 0.610 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.419 1.513 4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.086 1.196 4.331 1.00 0.00 H new ATOM 419 N GLY A 32 -7.099 -0.895 -2.755 1.00 0.00 N ATOM 420 CA GLY A 32 -7.625 -0.824 -4.106 1.00 0.00 C ATOM 421 C GLY A 32 -8.299 -2.113 -4.533 1.00 0.00 C ATOM 422 O GLY A 32 -9.384 -2.093 -5.114 1.00 0.00 O ATOM 0 H GLY A 32 -6.083 -0.835 -2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.340 -0.004 -4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.814 -0.595 -4.797 1.00 0.00 H new ATOM 426 N CYS A 33 -7.653 -3.239 -4.248 1.00 0.00 N ATOM 427 CA CYS A 33 -8.194 -4.544 -4.608 1.00 0.00 C ATOM 428 C CYS A 33 -8.689 -5.288 -3.371 1.00 0.00 C ATOM 429 O CYS A 33 -9.451 -6.249 -3.476 1.00 0.00 O ATOM 430 CB CYS A 33 -7.133 -5.379 -5.328 1.00 0.00 C ATOM 431 SG CYS A 33 -5.532 -5.453 -4.461 1.00 0.00 S ATOM 0 H CYS A 33 -6.753 -3.274 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 33 -9.039 -4.386 -5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.511 -6.393 -5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.976 -4.967 -6.325 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.222 -4.270 -4.021 1.00 0.00 H new ATOM 436 N MET A 34 -8.251 -4.836 -2.201 1.00 0.00 N ATOM 437 CA MET A 34 -8.651 -5.458 -0.944 1.00 0.00 C ATOM 438 C MET A 34 -8.172 -6.905 -0.876 1.00 0.00 C ATOM 439 O MET A 34 -8.964 -7.820 -0.654 1.00 0.00 O ATOM 440 CB MET A 34 -10.171 -5.404 -0.784 1.00 0.00 C ATOM 441 CG MET A 34 -10.672 -4.106 -0.172 1.00 0.00 C ATOM 442 SD MET A 34 -12.420 -4.172 0.264 1.00 0.00 S ATOM 443 CE MET A 34 -13.146 -3.286 -1.113 1.00 0.00 C ATOM 0 H MET A 34 -7.619 -4.042 -2.097 1.00 0.00 H new ATOM 0 HA MET A 34 -8.187 -4.902 -0.129 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.636 -5.539 -1.761 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.492 -6.238 -0.160 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.088 -3.880 0.720 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.508 -3.290 -0.876 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.228 -3.242 -0.988 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.743 -2.274 -1.147 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.909 -3.802 -2.043 1.00 0.00 H new ATOM 453 N GLU A 35 -6.872 -7.103 -1.070 1.00 0.00 N ATOM 454 CA GLU A 35 -6.290 -8.440 -1.032 1.00 0.00 C ATOM 455 C GLU A 35 -4.987 -8.443 -0.237 1.00 0.00 C ATOM 456 O GLU A 35 -4.175 -7.525 -0.349 1.00 0.00 O ATOM 457 CB GLU A 35 -6.034 -8.949 -2.452 1.00 0.00 C ATOM 458 CG GLU A 35 -4.741 -8.435 -3.060 1.00 0.00 C ATOM 459 CD GLU A 35 -4.811 -8.320 -4.570 1.00 0.00 C ATOM 460 OE1 GLU A 35 -5.936 -8.291 -5.112 1.00 0.00 O ATOM 461 OE2 GLU A 35 -3.740 -8.258 -5.211 1.00 0.00 O ATOM 0 H GLU A 35 -6.203 -6.356 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.999 -9.104 -0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.011 -10.039 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.867 -8.655 -3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.507 -7.459 -2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.925 -9.104 -2.788 1.00 0.00 H new ATOM 468 N LYS A 36 -4.795 -9.483 0.568 1.00 0.00 N ATOM 469 CA LYS A 36 -3.592 -9.609 1.382 1.00 0.00 C ATOM 470 C LYS A 36 -2.341 -9.362 0.546 1.00 0.00 C ATOM 471 O LYS A 36 -2.299 -9.696 -0.639 1.00 0.00 O ATOM 472 CB LYS A 36 -3.526 -10.999 2.020 1.00 0.00 C ATOM 473 CG LYS A 36 -3.116 -12.094 1.050 1.00 0.00 C ATOM 474 CD LYS A 36 -4.115 -12.237 -0.086 1.00 0.00 C ATOM 475 CE LYS A 36 -4.107 -13.645 -0.660 1.00 0.00 C ATOM 476 NZ LYS A 36 -4.902 -14.589 0.173 1.00 0.00 N ATOM 0 H LYS A 36 -5.458 -10.251 0.674 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.636 -8.856 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.819 -10.976 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.502 -11.244 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.130 -11.870 0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.032 -13.041 1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.115 -11.995 0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.878 -11.521 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.510 -13.626 -1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.080 -14.002 -0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.871 -15.538 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.502 -14.627 1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.888 -14.263 0.221 1.00 0.00 H new ATOM 490 N ILE A 37 -1.324 -8.778 1.170 1.00 0.00 N ATOM 491 CA ILE A 37 -0.071 -8.489 0.483 1.00 0.00 C ATOM 492 C ILE A 37 0.988 -9.537 0.808 1.00 0.00 C ATOM 493 O ILE A 37 1.580 -9.522 1.887 1.00 0.00 O ATOM 494 CB ILE A 37 0.469 -7.096 0.859 1.00 0.00 C ATOM 495 CG1 ILE A 37 -0.522 -6.010 0.436 1.00 0.00 C ATOM 496 CG2 ILE A 37 1.827 -6.863 0.213 1.00 0.00 C ATOM 497 CD1 ILE A 37 -0.106 -4.617 0.853 1.00 0.00 C ATOM 0 H ILE A 37 -1.343 -8.496 2.150 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.285 -8.511 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 37 0.590 -7.049 1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.637 -6.037 -0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.498 -6.233 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.196 -5.875 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.529 -7.621 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.730 -6.926 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.855 -3.899 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.018 -4.573 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.856 -4.374 0.401 1.00 0.00 H new ATOM 509 N GLU A 38 1.223 -10.445 -0.134 1.00 0.00 N ATOM 510 CA GLU A 38 2.212 -11.500 0.052 1.00 0.00 C ATOM 511 C GLU A 38 3.541 -10.921 0.528 1.00 0.00 C ATOM 512 O GLU A 38 3.923 -9.815 0.147 1.00 0.00 O ATOM 513 CB GLU A 38 2.418 -12.273 -1.252 1.00 0.00 C ATOM 514 CG GLU A 38 1.155 -12.940 -1.770 1.00 0.00 C ATOM 515 CD GLU A 38 1.448 -14.124 -2.671 1.00 0.00 C ATOM 516 OE1 GLU A 38 2.043 -15.107 -2.183 1.00 0.00 O ATOM 517 OE2 GLU A 38 1.082 -14.068 -3.864 1.00 0.00 O ATOM 0 H GLU A 38 0.742 -10.471 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 38 1.838 -12.183 0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.797 -11.591 -2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.183 -13.034 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.551 -13.272 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.561 -12.209 -2.319 1.00 0.00 H new ATOM 524 N LYS A 39 4.243 -11.678 1.366 1.00 0.00 N ATOM 525 CA LYS A 39 5.530 -11.243 1.895 1.00 0.00 C ATOM 526 C LYS A 39 6.612 -11.315 0.822 1.00 0.00 C ATOM 527 O LYS A 39 6.802 -12.351 0.187 1.00 0.00 O ATOM 528 CB LYS A 39 5.929 -12.105 3.095 1.00 0.00 C ATOM 529 CG LYS A 39 7.278 -11.737 3.687 1.00 0.00 C ATOM 530 CD LYS A 39 7.965 -12.944 4.304 1.00 0.00 C ATOM 531 CE LYS A 39 9.324 -12.578 4.880 1.00 0.00 C ATOM 532 NZ LYS A 39 10.110 -13.785 5.258 1.00 0.00 N ATOM 0 H LYS A 39 3.941 -12.596 1.693 1.00 0.00 H new ATOM 0 HA LYS A 39 5.431 -10.206 2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.166 -12.013 3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.949 -13.151 2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.914 -11.313 2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.145 -10.966 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.335 -13.360 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.086 -13.721 3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.883 -11.995 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.188 -11.944 5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.030 -13.493 5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.588 -14.329 5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.262 -14.378 4.417 1.00 0.00 H new ATOM 546 N GLY A 40 7.320 -10.206 0.626 1.00 0.00 N ATOM 547 CA GLY A 40 8.375 -10.166 -0.370 1.00 0.00 C ATOM 548 C GLY A 40 7.951 -9.447 -1.635 1.00 0.00 C ATOM 549 O GLY A 40 8.731 -8.696 -2.220 1.00 0.00 O ATOM 0 H GLY A 40 7.182 -9.335 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.249 -9.669 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.675 -11.184 -0.618 1.00 0.00 H new ATOM 553 N GLN A 41 6.712 -9.677 -2.058 1.00 0.00 N ATOM 554 CA GLN A 41 6.188 -9.047 -3.264 1.00 0.00 C ATOM 555 C GLN A 41 6.319 -7.529 -3.186 1.00 0.00 C ATOM 556 O GLN A 41 5.856 -6.904 -2.232 1.00 0.00 O ATOM 557 CB GLN A 41 4.722 -9.433 -3.470 1.00 0.00 C ATOM 558 CG GLN A 41 4.532 -10.863 -3.950 1.00 0.00 C ATOM 559 CD GLN A 41 4.991 -11.065 -5.381 1.00 0.00 C ATOM 560 OE1 GLN A 41 5.204 -10.102 -6.118 1.00 0.00 O ATOM 561 NE2 GLN A 41 5.146 -12.321 -5.781 1.00 0.00 N ATOM 0 H GLN A 41 6.053 -10.294 -1.584 1.00 0.00 H new ATOM 0 HA GLN A 41 6.773 -9.401 -4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.184 -9.299 -2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.274 -8.753 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.085 -11.538 -3.297 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.479 -11.132 -3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.958 -13.089 -5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.453 -12.519 -6.733 1.00 0.00 H new ATOM 570 N VAL A 42 6.954 -6.943 -4.195 1.00 0.00 N ATOM 571 CA VAL A 42 7.147 -5.498 -4.241 1.00 0.00 C ATOM 572 C VAL A 42 5.894 -4.762 -3.781 1.00 0.00 C ATOM 573 O VAL A 42 4.775 -5.235 -3.981 1.00 0.00 O ATOM 574 CB VAL A 42 7.514 -5.026 -5.661 1.00 0.00 C ATOM 575 CG1 VAL A 42 7.686 -3.515 -5.693 1.00 0.00 C ATOM 576 CG2 VAL A 42 8.776 -5.725 -6.145 1.00 0.00 C ATOM 0 H VAL A 42 7.344 -7.446 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 42 7.970 -5.266 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 42 6.699 -5.289 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.945 -3.200 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.754 -3.036 -5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.482 -3.225 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.021 -5.380 -7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.601 -5.494 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.612 -6.802 -6.162 1.00 0.00 H new ATOM 586 N ARG A 43 6.089 -3.602 -3.163 1.00 0.00 N ATOM 587 CA ARG A 43 4.975 -2.800 -2.673 1.00 0.00 C ATOM 588 C ARG A 43 5.355 -1.324 -2.606 1.00 0.00 C ATOM 589 O ARG A 43 6.537 -0.975 -2.615 1.00 0.00 O ATOM 590 CB ARG A 43 4.536 -3.288 -1.292 1.00 0.00 C ATOM 591 CG ARG A 43 5.448 -2.829 -0.166 1.00 0.00 C ATOM 592 CD ARG A 43 4.931 -3.283 1.191 1.00 0.00 C ATOM 593 NE ARG A 43 5.764 -2.795 2.286 1.00 0.00 N ATOM 594 CZ ARG A 43 5.513 -3.041 3.567 1.00 0.00 C ATOM 595 NH1 ARG A 43 4.458 -3.766 3.911 1.00 0.00 N ATOM 596 NH2 ARG A 43 6.318 -2.562 4.506 1.00 0.00 N ATOM 0 H ARG A 43 7.009 -3.196 -2.990 1.00 0.00 H new ATOM 0 HA ARG A 43 4.145 -2.912 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.524 -2.934 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.498 -4.377 -1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.451 -3.224 -0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.528 -1.742 -0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.909 -2.928 1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.896 -4.372 1.220 1.00 0.00 H new ATOM 0 HE ARG A 43 6.584 -2.234 2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.837 -4.136 3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.267 -3.954 4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.131 -2.004 4.245 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.124 -2.752 5.489 1.00 0.00 H new ATOM 610 N LEU A 44 4.348 -0.461 -2.538 1.00 0.00 N ATOM 611 CA LEU A 44 4.576 0.979 -2.470 1.00 0.00 C ATOM 612 C LEU A 44 3.765 1.605 -1.340 1.00 0.00 C ATOM 613 O LEU A 44 2.716 1.089 -0.955 1.00 0.00 O ATOM 614 CB LEU A 44 4.210 1.637 -3.801 1.00 0.00 C ATOM 615 CG LEU A 44 4.945 1.110 -5.035 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.141 0.006 -5.703 1.00 0.00 C ATOM 617 CD2 LEU A 44 5.219 2.241 -6.015 1.00 0.00 C ATOM 0 H LEU A 44 3.365 -0.733 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 44 5.634 1.146 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.139 1.515 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.400 2.707 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 44 5.900 0.693 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.679 -0.357 -6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.996 -0.815 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.171 0.397 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.742 1.848 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.275 2.687 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.836 2.999 -5.532 1.00 0.00 H new ATOM 629 N SER A 45 4.258 2.722 -0.814 1.00 0.00 N ATOM 630 CA SER A 45 3.581 3.419 0.273 1.00 0.00 C ATOM 631 C SER A 45 3.309 4.873 -0.100 1.00 0.00 C ATOM 632 O SER A 45 4.100 5.505 -0.801 1.00 0.00 O ATOM 633 CB SER A 45 4.421 3.356 1.550 1.00 0.00 C ATOM 634 OG SER A 45 5.483 4.294 1.508 1.00 0.00 O ATOM 0 H SER A 45 5.124 3.163 -1.123 1.00 0.00 H new ATOM 0 HA SER A 45 2.627 2.923 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.789 3.556 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.824 2.351 1.675 1.00 0.00 H new ATOM 0 HG SER A 45 6.004 4.235 2.336 1.00 0.00 H new ATOM 640 N LYS A 46 2.184 5.399 0.374 1.00 0.00 N ATOM 641 CA LYS A 46 1.806 6.779 0.093 1.00 0.00 C ATOM 642 C LYS A 46 1.378 7.496 1.370 1.00 0.00 C ATOM 643 O LYS A 46 0.373 7.141 1.987 1.00 0.00 O ATOM 644 CB LYS A 46 0.671 6.819 -0.932 1.00 0.00 C ATOM 645 CG LYS A 46 0.148 8.219 -1.205 1.00 0.00 C ATOM 646 CD LYS A 46 -1.247 8.185 -1.806 1.00 0.00 C ATOM 647 CE LYS A 46 -1.488 9.375 -2.722 1.00 0.00 C ATOM 648 NZ LYS A 46 -1.374 10.669 -1.993 1.00 0.00 N ATOM 0 H LYS A 46 1.518 4.890 0.955 1.00 0.00 H new ATOM 0 HA LYS A 46 2.676 7.292 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.021 6.382 -1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.150 6.196 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.131 8.790 -0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.826 8.736 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.380 7.260 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.989 8.183 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.768 9.355 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.480 9.295 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.676 11.446 -2.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.980 10.646 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.386 10.820 -1.706 1.00 0.00 H new ATOM 662 N LYS A 47 2.145 8.508 1.760 1.00 0.00 N ATOM 663 CA LYS A 47 1.845 9.278 2.961 1.00 0.00 C ATOM 664 C LYS A 47 0.735 10.290 2.695 1.00 0.00 C ATOM 665 O LYS A 47 0.915 11.236 1.929 1.00 0.00 O ATOM 666 CB LYS A 47 3.100 10.000 3.457 1.00 0.00 C ATOM 667 CG LYS A 47 3.133 10.199 4.962 1.00 0.00 C ATOM 668 CD LYS A 47 4.443 10.821 5.414 1.00 0.00 C ATOM 669 CE LYS A 47 4.689 10.587 6.896 1.00 0.00 C ATOM 670 NZ LYS A 47 3.713 11.326 7.744 1.00 0.00 N ATOM 0 H LYS A 47 2.980 8.814 1.261 1.00 0.00 H new ATOM 0 HA LYS A 47 1.505 8.585 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.979 9.431 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.166 10.972 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.303 10.838 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.994 9.239 5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.266 10.399 4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.428 11.892 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.622 9.521 7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.701 10.901 7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.226 11.926 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.111 11.922 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.120 10.647 8.263 1.00 0.00 H new ATOM 684 N MET A 48 -0.413 10.084 3.334 1.00 0.00 N ATOM 685 CA MET A 48 -1.551 10.981 3.168 1.00 0.00 C ATOM 686 C MET A 48 -2.538 10.826 4.320 1.00 0.00 C ATOM 687 O MET A 48 -2.446 9.883 5.107 1.00 0.00 O ATOM 688 CB MET A 48 -2.254 10.706 1.837 1.00 0.00 C ATOM 689 CG MET A 48 -3.012 9.388 1.812 1.00 0.00 C ATOM 690 SD MET A 48 -4.125 9.255 0.400 1.00 0.00 S ATOM 691 CE MET A 48 -5.674 8.893 1.223 1.00 0.00 C ATOM 0 H MET A 48 -0.579 9.305 3.971 1.00 0.00 H new ATOM 0 HA MET A 48 -1.178 12.005 3.169 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.949 11.519 1.627 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.513 10.705 1.037 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.299 8.564 1.787 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.586 9.286 2.733 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.247 8.184 0.625 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.473 8.461 2.203 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.246 9.813 1.342 1.00 0.00 H new ATOM 701 N VAL A 49 -3.482 11.756 4.414 1.00 0.00 N ATOM 702 CA VAL A 49 -4.487 11.722 5.469 1.00 0.00 C ATOM 703 C VAL A 49 -5.736 10.974 5.016 1.00 0.00 C ATOM 704 O VAL A 49 -6.188 11.130 3.881 1.00 0.00 O ATOM 705 CB VAL A 49 -4.886 13.143 5.911 1.00 0.00 C ATOM 706 CG1 VAL A 49 -5.962 13.086 6.984 1.00 0.00 C ATOM 707 CG2 VAL A 49 -3.668 13.908 6.405 1.00 0.00 C ATOM 0 H VAL A 49 -3.572 12.543 3.772 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.040 11.198 6.314 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.294 13.672 5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.231 14.099 7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.842 12.578 6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.585 12.540 7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.968 14.910 6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.228 13.384 7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.934 13.980 5.603 1.00 0.00 H new ATOM 717 N ASP A 50 -6.288 10.160 5.909 1.00 0.00 N ATOM 718 CA ASP A 50 -7.486 9.388 5.602 1.00 0.00 C ATOM 719 C ASP A 50 -8.745 10.210 5.861 1.00 0.00 C ATOM 720 O ASP A 50 -8.919 10.804 6.925 1.00 0.00 O ATOM 721 CB ASP A 50 -7.519 8.105 6.434 1.00 0.00 C ATOM 722 CG ASP A 50 -8.401 7.037 5.817 1.00 0.00 C ATOM 723 OD1 ASP A 50 -9.627 7.257 5.731 1.00 0.00 O ATOM 724 OD2 ASP A 50 -7.865 5.981 5.422 1.00 0.00 O ATOM 0 H ASP A 50 -5.925 10.018 6.851 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.457 9.125 4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.505 7.718 6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.879 8.335 7.437 1.00 0.00 H new ATOM 729 N PRO A 51 -9.643 10.248 4.866 1.00 0.00 N ATOM 730 CA PRO A 51 -10.901 10.995 4.963 1.00 0.00 C ATOM 731 C PRO A 51 -11.876 10.363 5.950 1.00 0.00 C ATOM 732 O PRO A 51 -12.836 11.000 6.381 1.00 0.00 O ATOM 733 CB PRO A 51 -11.463 10.929 3.540 1.00 0.00 C ATOM 734 CG PRO A 51 -10.866 9.696 2.954 1.00 0.00 C ATOM 735 CD PRO A 51 -9.501 9.563 3.570 1.00 0.00 C ATOM 0 HA PRO A 51 -10.745 12.010 5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.552 10.877 3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.189 11.813 2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.480 8.823 3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.798 9.773 1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.217 8.518 3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.734 10.029 2.951 1.00 0.00 H new ATOM 743 N GLU A 52 -11.621 9.107 6.305 1.00 0.00 N ATOM 744 CA GLU A 52 -12.478 8.390 7.242 1.00 0.00 C ATOM 745 C GLU A 52 -12.041 8.644 8.682 1.00 0.00 C ATOM 746 O GLU A 52 -12.859 8.969 9.543 1.00 0.00 O ATOM 747 CB GLU A 52 -12.451 6.889 6.947 1.00 0.00 C ATOM 748 CG GLU A 52 -13.023 6.526 5.586 1.00 0.00 C ATOM 749 CD GLU A 52 -13.006 5.033 5.326 1.00 0.00 C ATOM 750 OE1 GLU A 52 -11.906 4.481 5.111 1.00 0.00 O ATOM 751 OE2 GLU A 52 -14.091 4.415 5.337 1.00 0.00 O ATOM 0 H GLU A 52 -10.829 8.566 5.958 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.496 8.759 7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.422 6.534 7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.014 6.365 7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.048 6.891 5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.451 7.033 4.809 1.00 0.00 H new ATOM 758 N LYS A 53 -10.746 8.493 8.936 1.00 0.00 N ATOM 759 CA LYS A 53 -10.198 8.706 10.271 1.00 0.00 C ATOM 760 C LYS A 53 -9.233 9.888 10.280 1.00 0.00 C ATOM 761 O LYS A 53 -8.014 9.726 10.216 1.00 0.00 O ATOM 762 CB LYS A 53 -9.480 7.445 10.757 1.00 0.00 C ATOM 763 CG LYS A 53 -10.425 6.329 11.170 1.00 0.00 C ATOM 764 CD LYS A 53 -9.714 5.279 12.007 1.00 0.00 C ATOM 765 CE LYS A 53 -8.890 4.340 11.140 1.00 0.00 C ATOM 766 NZ LYS A 53 -9.691 3.180 10.660 1.00 0.00 N ATOM 0 H LYS A 53 -10.056 8.224 8.235 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.025 8.929 10.945 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.826 7.081 9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.843 7.703 11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.257 6.746 11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.849 5.862 10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.065 5.769 12.733 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.448 4.704 12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.496 4.888 10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.033 3.979 11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.093 2.564 10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.046 2.642 11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.494 3.523 10.095 1.00 0.00 H new ATOM 780 N PRO A 54 -9.789 11.106 10.365 1.00 0.00 N ATOM 781 CA PRO A 54 -8.995 12.338 10.387 1.00 0.00 C ATOM 782 C PRO A 54 -8.211 12.499 11.685 1.00 0.00 C ATOM 783 O PRO A 54 -7.116 13.061 11.692 1.00 0.00 O ATOM 784 CB PRO A 54 -10.049 13.441 10.259 1.00 0.00 C ATOM 785 CG PRO A 54 -11.300 12.834 10.796 1.00 0.00 C ATOM 786 CD PRO A 54 -11.235 11.373 10.445 1.00 0.00 C ATOM 0 HA PRO A 54 -8.244 12.353 9.597 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.765 14.328 10.825 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.173 13.751 9.222 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.370 12.973 11.875 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.181 13.302 10.357 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.716 10.756 11.203 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.735 11.164 9.499 1.00 0.00 H new ATOM 794 N GLN A 55 -8.778 12.001 12.779 1.00 0.00 N ATOM 795 CA GLN A 55 -8.130 12.091 14.082 1.00 0.00 C ATOM 796 C GLN A 55 -6.675 11.640 13.999 1.00 0.00 C ATOM 797 O GLN A 55 -5.776 12.314 14.504 1.00 0.00 O ATOM 798 CB GLN A 55 -8.882 11.241 15.108 1.00 0.00 C ATOM 799 CG GLN A 55 -8.997 9.776 14.718 1.00 0.00 C ATOM 800 CD GLN A 55 -10.143 9.074 15.419 1.00 0.00 C ATOM 801 OE1 GLN A 55 -11.057 8.557 14.776 1.00 0.00 O ATOM 802 NE2 GLN A 55 -10.099 9.050 16.746 1.00 0.00 N ATOM 0 H GLN A 55 -9.684 11.532 12.789 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.150 13.134 14.399 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.374 11.313 16.070 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.882 11.652 15.244 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.135 9.701 13.639 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.063 9.266 14.956 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.322 9.491 17.239 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.842 8.590 17.273 1.00 0.00 H new ATOM 811 N LEU A 56 -6.451 10.497 13.361 1.00 0.00 N ATOM 812 CA LEU A 56 -5.104 9.955 13.212 1.00 0.00 C ATOM 813 C LEU A 56 -4.214 10.916 12.430 1.00 0.00 C ATOM 814 O LEU A 56 -3.075 11.176 12.815 1.00 0.00 O ATOM 815 CB LEU A 56 -5.154 8.599 12.505 1.00 0.00 C ATOM 816 CG LEU A 56 -6.085 7.555 13.123 1.00 0.00 C ATOM 817 CD1 LEU A 56 -6.152 6.315 12.245 1.00 0.00 C ATOM 818 CD2 LEU A 56 -5.623 7.192 14.527 1.00 0.00 C ATOM 0 H LEU A 56 -7.184 9.927 12.938 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.680 9.824 14.207 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.458 8.762 11.471 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.145 8.187 12.479 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.085 7.983 13.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.819 5.583 12.700 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.530 6.587 11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.155 5.885 12.145 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.297 6.448 14.951 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.613 6.784 14.484 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.627 8.084 15.153 1.00 0.00 H new ATOM 830 N GLY A 57 -4.744 11.444 11.330 1.00 0.00 N ATOM 831 CA GLY A 57 -3.985 12.372 10.513 1.00 0.00 C ATOM 832 C GLY A 57 -3.135 11.669 9.474 1.00 0.00 C ATOM 833 O GLY A 57 -3.638 10.863 8.692 1.00 0.00 O ATOM 0 H GLY A 57 -5.685 11.245 10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.671 13.057 10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.343 12.975 11.155 1.00 0.00 H new ATOM 837 N MET A 58 -1.841 11.975 9.464 1.00 0.00 N ATOM 838 CA MET A 58 -0.919 11.365 8.513 1.00 0.00 C ATOM 839 C MET A 58 -0.791 9.866 8.763 1.00 0.00 C ATOM 840 O MET A 58 -0.563 9.434 9.894 1.00 0.00 O ATOM 841 CB MET A 58 0.456 12.029 8.606 1.00 0.00 C ATOM 842 CG MET A 58 0.452 13.495 8.205 1.00 0.00 C ATOM 843 SD MET A 58 -0.258 13.766 6.570 1.00 0.00 S ATOM 844 CE MET A 58 0.649 12.562 5.603 1.00 0.00 C ATOM 0 H MET A 58 -1.408 12.641 10.103 1.00 0.00 H new ATOM 0 HA MET A 58 -1.320 11.514 7.510 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.824 11.942 9.628 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.155 11.488 7.968 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.112 14.067 8.941 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.474 13.875 8.221 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.483 12.748 4.542 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.713 12.645 5.823 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.304 11.559 5.854 1.00 0.00 H new ATOM 854 N ILE A 59 -0.940 9.079 7.704 1.00 0.00 N ATOM 855 CA ILE A 59 -0.840 7.629 7.810 1.00 0.00 C ATOM 856 C ILE A 59 -0.091 7.040 6.619 1.00 0.00 C ATOM 857 O ILE A 59 0.149 7.725 5.624 1.00 0.00 O ATOM 858 CB ILE A 59 -2.231 6.974 7.902 1.00 0.00 C ATOM 859 CG1 ILE A 59 -3.073 7.340 6.678 1.00 0.00 C ATOM 860 CG2 ILE A 59 -2.933 7.400 9.182 1.00 0.00 C ATOM 861 CD1 ILE A 59 -4.252 6.418 6.458 1.00 0.00 C ATOM 0 H ILE A 59 -1.131 9.421 6.762 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.286 7.417 8.725 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.106 5.891 7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.437 8.361 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.438 7.323 5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.915 6.929 9.233 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.338 7.093 10.042 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.050 8.484 9.190 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.803 6.737 5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.895 5.398 6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.909 6.453 7.327 1.00 0.00 H new ATOM 873 N ASP A 60 0.274 5.768 6.727 1.00 0.00 N ATOM 874 CA ASP A 60 0.993 5.085 5.657 1.00 0.00 C ATOM 875 C ASP A 60 0.146 3.965 5.061 1.00 0.00 C ATOM 876 O ASP A 60 -0.266 3.043 5.766 1.00 0.00 O ATOM 877 CB ASP A 60 2.314 4.519 6.182 1.00 0.00 C ATOM 878 CG ASP A 60 3.228 5.597 6.731 1.00 0.00 C ATOM 879 OD1 ASP A 60 2.991 6.053 7.869 1.00 0.00 O ATOM 880 OD2 ASP A 60 4.180 5.985 6.022 1.00 0.00 O ATOM 0 H ASP A 60 0.084 5.188 7.544 1.00 0.00 H new ATOM 0 HA ASP A 60 1.204 5.812 4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.108 3.789 6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.824 3.989 5.378 1.00 0.00 H new ATOM 885 N ARG A 61 -0.110 4.052 3.760 1.00 0.00 N ATOM 886 CA ARG A 61 -0.910 3.047 3.070 1.00 0.00 C ATOM 887 C ARG A 61 -0.030 2.156 2.199 1.00 0.00 C ATOM 888 O ARG A 61 1.152 2.437 2.002 1.00 0.00 O ATOM 889 CB ARG A 61 -1.983 3.720 2.211 1.00 0.00 C ATOM 890 CG ARG A 61 -2.791 4.769 2.957 1.00 0.00 C ATOM 891 CD ARG A 61 -3.951 4.144 3.714 1.00 0.00 C ATOM 892 NE ARG A 61 -5.079 3.842 2.837 1.00 0.00 N ATOM 893 CZ ARG A 61 -6.013 4.729 2.509 1.00 0.00 C ATOM 894 NH1 ARG A 61 -5.954 5.965 2.985 1.00 0.00 N ATOM 895 NH2 ARG A 61 -7.009 4.379 1.705 1.00 0.00 N ATOM 0 H ARG A 61 0.225 4.808 3.163 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.395 2.425 3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.506 4.186 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.660 2.957 1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.144 5.300 3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.171 5.507 2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.615 3.228 4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.277 4.823 4.502 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.154 2.899 2.455 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.191 6.237 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.672 6.644 2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.058 3.429 1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.725 5.060 1.454 1.00 0.00 H new ATOM 909 N TRP A 62 -0.614 1.082 1.681 1.00 0.00 N ATOM 910 CA TRP A 62 0.117 0.149 0.831 1.00 0.00 C ATOM 911 C TRP A 62 -0.713 -0.244 -0.386 1.00 0.00 C ATOM 912 O TRP A 62 -1.918 -0.471 -0.280 1.00 0.00 O ATOM 913 CB TRP A 62 0.505 -1.100 1.625 1.00 0.00 C ATOM 914 CG TRP A 62 1.478 -0.823 2.730 1.00 0.00 C ATOM 915 CD1 TRP A 62 1.212 -0.798 4.070 1.00 0.00 C ATOM 916 CD2 TRP A 62 2.873 -0.529 2.591 1.00 0.00 C ATOM 917 NE1 TRP A 62 2.357 -0.507 4.771 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.390 -0.339 3.887 1.00 0.00 C ATOM 919 CE3 TRP A 62 3.735 -0.412 1.498 1.00 0.00 C ATOM 920 CZ2 TRP A 62 4.729 -0.035 4.117 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.064 -0.110 1.727 1.00 0.00 C ATOM 922 CH2 TRP A 62 5.551 0.074 3.028 1.00 0.00 C ATOM 0 H TRP A 62 -1.592 0.835 1.834 1.00 0.00 H new ATOM 0 HA TRP A 62 1.023 0.646 0.484 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -0.395 -1.548 2.047 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.938 -1.834 0.945 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.244 -0.980 4.513 1.00 0.00 H new ATOM 0 HE1 TRP A 62 2.427 -0.429 5.786 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.369 -0.555 0.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 5.106 0.110 5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.739 -0.014 0.889 1.00 0.00 H new ATOM 0 HH2 TRP A 62 6.596 0.306 3.174 1.00 0.00 H new ATOM 933 N TYR A 63 -0.061 -0.323 -1.541 1.00 0.00 N ATOM 934 CA TYR A 63 -0.740 -0.687 -2.778 1.00 0.00 C ATOM 935 C TYR A 63 0.210 -1.409 -3.729 1.00 0.00 C ATOM 936 O TYR A 63 1.253 -0.875 -4.108 1.00 0.00 O ATOM 937 CB TYR A 63 -1.309 0.560 -3.458 1.00 0.00 C ATOM 938 CG TYR A 63 -2.302 1.315 -2.603 1.00 0.00 C ATOM 939 CD1 TYR A 63 -3.648 0.972 -2.600 1.00 0.00 C ATOM 940 CD2 TYR A 63 -1.893 2.371 -1.799 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.559 1.660 -1.822 1.00 0.00 C ATOM 942 CE2 TYR A 63 -2.797 3.064 -1.016 1.00 0.00 C ATOM 943 CZ TYR A 63 -4.128 2.705 -1.031 1.00 0.00 C ATOM 944 OH TYR A 63 -5.032 3.391 -0.253 1.00 0.00 O ATOM 0 H TYR A 63 0.937 -0.140 -1.646 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.558 -1.362 -2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.488 1.227 -3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.793 0.267 -4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.988 0.153 -3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.851 2.655 -1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.602 1.381 -1.833 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.462 3.882 -0.396 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.567 4.096 0.244 1.00 0.00 H new ATOM 954 N HIS A 64 -0.159 -2.628 -4.111 1.00 0.00 N ATOM 955 CA HIS A 64 0.659 -3.424 -5.019 1.00 0.00 C ATOM 956 C HIS A 64 1.081 -2.602 -6.234 1.00 0.00 C ATOM 957 O HIS A 64 0.374 -1.697 -6.676 1.00 0.00 O ATOM 958 CB HIS A 64 -0.107 -4.668 -5.471 1.00 0.00 C ATOM 959 CG HIS A 64 -0.698 -5.452 -4.340 1.00 0.00 C ATOM 960 ND1 HIS A 64 -1.925 -5.161 -3.783 1.00 0.00 N ATOM 961 CD2 HIS A 64 -0.223 -6.522 -3.662 1.00 0.00 C ATOM 962 CE1 HIS A 64 -2.179 -6.018 -2.811 1.00 0.00 C ATOM 963 NE2 HIS A 64 -1.162 -6.855 -2.717 1.00 0.00 N ATOM 0 H HIS A 64 -1.018 -3.085 -3.806 1.00 0.00 H new ATOM 0 HA HIS A 64 1.556 -3.733 -4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.905 -4.366 -6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.565 -5.313 -6.037 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.541 -4.402 -4.076 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.719 -7.021 -3.832 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.068 -6.032 -2.197 1.00 0.00 H new ATOM 971 N PRO A 65 2.260 -2.923 -6.786 1.00 0.00 N ATOM 972 CA PRO A 65 2.802 -2.227 -7.956 1.00 0.00 C ATOM 973 C PRO A 65 1.773 -2.079 -9.071 1.00 0.00 C ATOM 974 O PRO A 65 1.765 -1.084 -9.794 1.00 0.00 O ATOM 975 CB PRO A 65 3.952 -3.131 -8.406 1.00 0.00 C ATOM 976 CG PRO A 65 4.372 -3.852 -7.172 1.00 0.00 C ATOM 977 CD PRO A 65 3.155 -3.992 -6.310 1.00 0.00 C ATOM 0 HA PRO A 65 3.110 -1.209 -7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.629 -3.827 -9.180 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.773 -2.549 -8.823 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.784 -4.830 -7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.153 -3.299 -6.650 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.698 -4.975 -6.421 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.397 -3.870 -5.254 1.00 0.00 H new ATOM 985 N GLY A 66 0.904 -3.077 -9.205 1.00 0.00 N ATOM 986 CA GLY A 66 -0.118 -3.038 -10.234 1.00 0.00 C ATOM 987 C GLY A 66 -1.248 -2.088 -9.893 1.00 0.00 C ATOM 988 O GLY A 66 -1.830 -1.460 -10.778 1.00 0.00 O ATOM 0 H GLY A 66 0.890 -3.912 -8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.334 -2.736 -11.179 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.521 -4.040 -10.379 1.00 0.00 H new ATOM 992 N CYS A 67 -1.563 -1.983 -8.606 1.00 0.00 N ATOM 993 CA CYS A 67 -2.633 -1.105 -8.149 1.00 0.00 C ATOM 994 C CYS A 67 -2.176 0.351 -8.141 1.00 0.00 C ATOM 995 O CYS A 67 -2.971 1.264 -8.364 1.00 0.00 O ATOM 996 CB CYS A 67 -3.094 -1.514 -6.749 1.00 0.00 C ATOM 997 SG CYS A 67 -3.465 -3.289 -6.577 1.00 0.00 S ATOM 0 H CYS A 67 -1.092 -2.496 -7.861 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.469 -1.201 -8.842 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.320 -1.244 -6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.984 -0.941 -6.489 1.00 0.00 H new ATOM 0 HG CYS A 67 -4.292 -3.466 -5.590 1.00 0.00 H new ATOM 1002 N PHE A 68 -0.889 0.559 -7.882 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.325 1.904 -7.844 1.00 0.00 C ATOM 1004 C PHE A 68 -0.473 2.594 -9.196 1.00 0.00 C ATOM 1005 O PHE A 68 -0.724 3.798 -9.267 1.00 0.00 O ATOM 1006 CB PHE A 68 1.151 1.849 -7.446 1.00 0.00 C ATOM 1007 CG PHE A 68 1.750 3.200 -7.178 1.00 0.00 C ATOM 1008 CD1 PHE A 68 1.236 4.016 -6.183 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.828 3.654 -7.921 1.00 0.00 C ATOM 1010 CE1 PHE A 68 1.785 5.260 -5.935 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.381 4.897 -7.678 1.00 0.00 C ATOM 1012 CZ PHE A 68 2.860 5.701 -6.683 1.00 0.00 C ATOM 0 H PHE A 68 -0.217 -0.186 -7.695 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.874 2.481 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.256 1.231 -6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.715 1.361 -8.241 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.397 3.676 -5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.241 3.029 -8.699 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.374 5.887 -5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.220 5.239 -8.266 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.292 6.672 -6.490 1.00 0.00 H new ATOM 1022 N VAL A 69 -0.317 1.824 -10.268 1.00 0.00 N ATOM 1023 CA VAL A 69 -0.433 2.360 -11.619 1.00 0.00 C ATOM 1024 C VAL A 69 -1.888 2.647 -11.972 1.00 0.00 C ATOM 1025 O VAL A 69 -2.201 3.672 -12.578 1.00 0.00 O ATOM 1026 CB VAL A 69 0.155 1.390 -12.661 1.00 0.00 C ATOM 1027 CG1 VAL A 69 0.063 1.986 -14.057 1.00 0.00 C ATOM 1028 CG2 VAL A 69 1.595 1.044 -12.313 1.00 0.00 C ATOM 0 H VAL A 69 -0.110 0.826 -10.227 1.00 0.00 H new ATOM 0 HA VAL A 69 0.134 3.291 -11.640 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.429 0.470 -12.646 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.483 1.287 -14.780 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.982 2.178 -14.303 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.621 2.922 -14.091 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.995 0.358 -13.060 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.195 1.954 -12.299 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.629 0.572 -11.331 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.775 1.735 -11.589 1.00 0.00 N ATOM 1039 CA LYS A 70 -4.199 1.889 -11.864 1.00 0.00 C ATOM 1040 C LYS A 70 -4.776 3.072 -11.093 1.00 0.00 C ATOM 1041 O LYS A 70 -5.533 3.872 -11.642 1.00 0.00 O ATOM 1042 CB LYS A 70 -4.952 0.610 -11.493 1.00 0.00 C ATOM 1043 CG LYS A 70 -4.972 -0.427 -12.603 1.00 0.00 C ATOM 1044 CD LYS A 70 -6.141 -1.386 -12.450 1.00 0.00 C ATOM 1045 CE LYS A 70 -7.377 -0.877 -13.176 1.00 0.00 C ATOM 1046 NZ LYS A 70 -8.178 0.047 -12.327 1.00 0.00 N ATOM 0 H LYS A 70 -2.533 0.881 -11.087 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.320 2.078 -12.931 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.493 0.172 -10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.978 0.866 -11.228 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.035 0.074 -13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.037 -0.987 -12.595 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.864 -2.365 -12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.368 -1.519 -11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.076 -0.363 -14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.996 -1.723 -13.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.168 0.040 -12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.130 -0.263 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.796 1.011 -12.407 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.412 3.178 -9.819 1.00 0.00 N ATOM 1061 CA ASN A 71 -4.894 4.265 -8.974 1.00 0.00 C ATOM 1062 C ASN A 71 -3.845 5.366 -8.854 1.00 0.00 C ATOM 1063 O ASN A 71 -3.733 6.020 -7.817 1.00 0.00 O ATOM 1064 CB ASN A 71 -5.256 3.736 -7.585 1.00 0.00 C ATOM 1065 CG ASN A 71 -6.363 2.701 -7.631 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -7.499 2.972 -7.239 1.00 0.00 O ATOM 1067 ND2 ASN A 71 -6.037 1.506 -8.111 1.00 0.00 N ATOM 0 H ASN A 71 -3.785 2.525 -9.349 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.785 4.686 -9.439 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.371 3.297 -7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.566 4.567 -6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.740 0.769 -8.166 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.083 1.325 -8.425 1.00 0.00 H new ATOM 1074 N ARG A 72 -3.079 5.565 -9.922 1.00 0.00 N ATOM 1075 CA ARG A 72 -2.039 6.586 -9.936 1.00 0.00 C ATOM 1076 C ARG A 72 -2.650 7.984 -9.977 1.00 0.00 C ATOM 1077 O ARG A 72 -2.183 8.895 -9.294 1.00 0.00 O ATOM 1078 CB ARG A 72 -1.115 6.387 -11.138 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.780 6.679 -12.473 1.00 0.00 C ATOM 1080 CD ARG A 72 -0.789 6.585 -13.623 1.00 0.00 C ATOM 1081 NE ARG A 72 -1.456 6.375 -14.905 1.00 0.00 N ATOM 1082 CZ ARG A 72 -2.047 7.346 -15.593 1.00 0.00 C ATOM 1083 NH1 ARG A 72 -2.052 8.586 -15.125 1.00 0.00 N ATOM 1084 NH2 ARG A 72 -2.633 7.076 -16.753 1.00 0.00 N ATOM 0 H ARG A 72 -3.159 5.033 -10.788 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.457 6.489 -9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.244 7.033 -11.027 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.752 5.359 -11.140 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.596 5.975 -12.636 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.220 7.676 -12.451 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.198 7.500 -13.668 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.095 5.765 -13.437 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.469 5.432 -15.293 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.601 8.797 -14.235 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.506 9.329 -15.655 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.630 6.123 -17.116 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.087 7.822 -17.281 1.00 0.00 H new ATOM 1098 N GLU A 73 -3.695 8.144 -10.782 1.00 0.00 N ATOM 1099 CA GLU A 73 -4.368 9.431 -10.912 1.00 0.00 C ATOM 1100 C GLU A 73 -5.256 9.706 -9.701 1.00 0.00 C ATOM 1101 O GLU A 73 -5.240 10.802 -9.144 1.00 0.00 O ATOM 1102 CB GLU A 73 -5.207 9.466 -12.191 1.00 0.00 C ATOM 1103 CG GLU A 73 -6.246 8.360 -12.268 1.00 0.00 C ATOM 1104 CD GLU A 73 -6.904 8.271 -13.632 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -6.198 7.960 -14.613 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -8.126 8.514 -13.716 1.00 0.00 O ATOM 0 H GLU A 73 -4.094 7.399 -11.354 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.605 10.207 -10.965 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.710 10.431 -12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.544 9.391 -13.053 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.774 7.406 -12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.011 8.532 -11.510 1.00 0.00 H new ATOM 1113 N GLU A 74 -6.030 8.701 -9.302 1.00 0.00 N ATOM 1114 CA GLU A 74 -6.925 8.835 -8.159 1.00 0.00 C ATOM 1115 C GLU A 74 -6.148 9.214 -6.901 1.00 0.00 C ATOM 1116 O GLU A 74 -6.516 10.150 -6.189 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.689 7.530 -7.926 1.00 0.00 C ATOM 1118 CG GLU A 74 -8.691 7.607 -6.785 1.00 0.00 C ATOM 1119 CD GLU A 74 -9.804 8.602 -7.052 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -10.781 8.229 -7.735 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -9.697 9.753 -6.579 1.00 0.00 O ATOM 0 H GLU A 74 -6.055 7.786 -9.753 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.637 9.630 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.214 7.258 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.975 6.733 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.123 6.620 -6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.171 7.886 -5.868 1.00 0.00 H new ATOM 1128 N LEU A 75 -5.074 8.481 -6.633 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.244 8.739 -5.461 1.00 0.00 C ATOM 1130 C LEU A 75 -3.618 10.128 -5.532 1.00 0.00 C ATOM 1131 O LEU A 75 -3.467 10.804 -4.515 1.00 0.00 O ATOM 1132 CB LEU A 75 -3.148 7.678 -5.345 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.570 6.341 -4.735 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.443 5.326 -4.843 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -3.987 6.525 -3.283 1.00 0.00 C ATOM 0 H LEU A 75 -4.757 7.703 -7.211 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.881 8.693 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.746 7.490 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.335 8.088 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.427 5.963 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.761 4.381 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.191 5.172 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.567 5.697 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.284 5.563 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.149 6.926 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.827 7.218 -3.231 1.00 0.00 H new ATOM 1147 N GLY A 76 -3.258 10.548 -6.741 1.00 0.00 N ATOM 1148 CA GLY A 76 -2.655 11.856 -6.922 1.00 0.00 C ATOM 1149 C GLY A 76 -1.157 11.778 -7.146 1.00 0.00 C ATOM 1150 O GLY A 76 -0.399 12.584 -6.607 1.00 0.00 O ATOM 0 H GLY A 76 -3.373 10.006 -7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.121 12.353 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.857 12.470 -6.044 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.730 10.803 -7.942 1.00 0.00 N ATOM 1155 CA PHE A 77 0.687 10.621 -8.234 1.00 0.00 C ATOM 1156 C PHE A 77 1.092 11.410 -9.476 1.00 0.00 C ATOM 1157 O PHE A 77 0.980 10.920 -10.600 1.00 0.00 O ATOM 1158 CB PHE A 77 1.001 9.137 -8.435 1.00 0.00 C ATOM 1159 CG PHE A 77 2.461 8.857 -8.649 1.00 0.00 C ATOM 1160 CD1 PHE A 77 3.369 9.011 -7.613 1.00 0.00 C ATOM 1161 CD2 PHE A 77 2.926 8.438 -9.885 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.713 8.755 -7.808 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.269 8.180 -10.085 1.00 0.00 C ATOM 1164 CZ PHE A 77 5.163 8.338 -9.045 1.00 0.00 C ATOM 0 H PHE A 77 -1.345 10.127 -8.396 1.00 0.00 H new ATOM 0 HA PHE A 77 1.258 10.995 -7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.656 8.580 -7.564 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.439 8.768 -9.293 1.00 0.00 H new ATOM 0 HD1 PHE A 77 3.022 9.335 -6.643 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.231 8.311 -10.702 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.411 8.881 -6.993 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.619 7.855 -11.054 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.213 8.136 -9.199 1.00 0.00 H new ATOM 1174 N ARG A 78 1.563 12.634 -9.264 1.00 0.00 N ATOM 1175 CA ARG A 78 1.984 13.493 -10.365 1.00 0.00 C ATOM 1176 C ARG A 78 2.766 12.697 -11.406 1.00 0.00 C ATOM 1177 O ARG A 78 3.486 11.751 -11.088 1.00 0.00 O ATOM 1178 CB ARG A 78 2.840 14.647 -9.841 1.00 0.00 C ATOM 1179 CG ARG A 78 2.085 15.599 -8.926 1.00 0.00 C ATOM 1180 CD ARG A 78 1.328 16.652 -9.720 1.00 0.00 C ATOM 1181 NE ARG A 78 0.257 16.067 -10.522 1.00 0.00 N ATOM 1182 CZ ARG A 78 -0.222 16.626 -11.628 1.00 0.00 C ATOM 1183 NH1 ARG A 78 0.273 17.778 -12.060 1.00 0.00 N ATOM 1184 NH2 ARG A 78 -1.197 16.033 -12.304 1.00 0.00 N ATOM 0 H ARG A 78 1.663 13.054 -8.340 1.00 0.00 H new ATOM 0 HA ARG A 78 1.090 13.899 -10.839 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.694 14.239 -9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.236 15.208 -10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.386 15.035 -8.309 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.786 16.087 -8.249 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.907 17.389 -9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.022 17.182 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.145 15.181 -10.216 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.023 18.237 -11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.096 18.205 -12.909 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.580 15.147 -11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.564 16.463 -13.153 1.00 0.00 H new ATOM 1198 N PRO A 79 2.621 13.089 -12.681 1.00 0.00 N ATOM 1199 CA PRO A 79 3.305 12.426 -13.795 1.00 0.00 C ATOM 1200 C PRO A 79 4.809 12.680 -13.785 1.00 0.00 C ATOM 1201 O PRO A 79 5.567 11.997 -14.472 1.00 0.00 O ATOM 1202 CB PRO A 79 2.664 13.059 -15.032 1.00 0.00 C ATOM 1203 CG PRO A 79 2.182 14.390 -14.570 1.00 0.00 C ATOM 1204 CD PRO A 79 1.778 14.208 -13.133 1.00 0.00 C ATOM 0 HA PRO A 79 3.200 11.342 -13.751 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.384 13.159 -15.844 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.843 12.449 -15.408 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.965 15.142 -14.663 1.00 0.00 H new ATOM 0 HG3 PRO A 79 1.340 14.731 -15.172 1.00 0.00 H new ATOM 0 HD2 PRO A 79 1.959 15.109 -12.547 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.717 13.975 -13.040 1.00 0.00 H new ATOM 1212 N GLU A 80 5.233 13.667 -13.001 1.00 0.00 N ATOM 1213 CA GLU A 80 6.646 14.010 -12.903 1.00 0.00 C ATOM 1214 C GLU A 80 7.401 12.975 -12.074 1.00 0.00 C ATOM 1215 O GLU A 80 8.609 12.797 -12.233 1.00 0.00 O ATOM 1216 CB GLU A 80 6.815 15.398 -12.282 1.00 0.00 C ATOM 1217 CG GLU A 80 6.506 15.442 -10.795 1.00 0.00 C ATOM 1218 CD GLU A 80 7.047 16.689 -10.124 1.00 0.00 C ATOM 1219 OE1 GLU A 80 6.354 17.728 -10.156 1.00 0.00 O ATOM 1220 OE2 GLU A 80 8.163 16.627 -9.566 1.00 0.00 O ATOM 0 H GLU A 80 4.618 14.242 -12.425 1.00 0.00 H new ATOM 0 HA GLU A 80 7.062 14.017 -13.910 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.839 15.736 -12.442 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.163 16.101 -12.801 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.427 15.395 -10.650 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.931 14.561 -10.313 1.00 0.00 H new ATOM 1227 N TYR A 81 6.681 12.296 -11.188 1.00 0.00 N ATOM 1228 CA TYR A 81 7.282 11.281 -10.331 1.00 0.00 C ATOM 1229 C TYR A 81 7.435 9.959 -11.077 1.00 0.00 C ATOM 1230 O TYR A 81 6.498 9.485 -11.720 1.00 0.00 O ATOM 1231 CB TYR A 81 6.434 11.076 -9.075 1.00 0.00 C ATOM 1232 CG TYR A 81 6.153 12.355 -8.319 1.00 0.00 C ATOM 1233 CD1 TYR A 81 7.167 13.269 -8.059 1.00 0.00 C ATOM 1234 CD2 TYR A 81 4.874 12.649 -7.863 1.00 0.00 C ATOM 1235 CE1 TYR A 81 6.916 14.438 -7.368 1.00 0.00 C ATOM 1236 CE2 TYR A 81 4.613 13.817 -7.172 1.00 0.00 C ATOM 1237 CZ TYR A 81 5.637 14.708 -6.927 1.00 0.00 C ATOM 1238 OH TYR A 81 5.381 15.871 -6.238 1.00 0.00 O ATOM 0 H TYR A 81 5.680 12.430 -11.044 1.00 0.00 H new ATOM 0 HA TYR A 81 8.273 11.629 -10.039 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.487 10.615 -9.357 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.944 10.377 -8.412 1.00 0.00 H new ATOM 0 HD1 TYR A 81 8.169 13.061 -8.404 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.070 11.953 -8.052 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.716 15.137 -7.174 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.613 14.031 -6.826 1.00 0.00 H new ATOM 0 HH TYR A 81 4.431 15.908 -6.000 1.00 0.00 H new ATOM 1248 N SER A 82 8.622 9.368 -10.985 1.00 0.00 N ATOM 1249 CA SER A 82 8.900 8.102 -11.652 1.00 0.00 C ATOM 1250 C SER A 82 9.487 7.089 -10.674 1.00 0.00 C ATOM 1251 O SER A 82 9.923 7.447 -9.581 1.00 0.00 O ATOM 1252 CB SER A 82 9.864 8.318 -12.820 1.00 0.00 C ATOM 1253 OG SER A 82 9.297 9.173 -13.798 1.00 0.00 O ATOM 0 H SER A 82 9.407 9.746 -10.455 1.00 0.00 H new ATOM 0 HA SER A 82 7.959 7.707 -12.035 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.795 8.748 -12.452 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.113 7.358 -13.272 1.00 0.00 H new ATOM 0 HG SER A 82 9.933 9.297 -14.533 1.00 0.00 H new ATOM 1259 N ALA A 83 9.493 5.823 -11.077 1.00 0.00 N ATOM 1260 CA ALA A 83 10.028 4.757 -10.238 1.00 0.00 C ATOM 1261 C ALA A 83 11.398 5.132 -9.681 1.00 0.00 C ATOM 1262 O ALA A 83 11.636 5.038 -8.478 1.00 0.00 O ATOM 1263 CB ALA A 83 10.113 3.458 -11.025 1.00 0.00 C ATOM 0 H ALA A 83 9.134 5.510 -11.979 1.00 0.00 H new ATOM 0 HA ALA A 83 9.349 4.615 -9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.514 2.671 -10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.118 3.175 -11.368 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.768 3.596 -11.885 1.00 0.00 H new ATOM 1269 N SER A 84 12.295 5.556 -10.566 1.00 0.00 N ATOM 1270 CA SER A 84 13.643 5.940 -10.164 1.00 0.00 C ATOM 1271 C SER A 84 13.606 6.847 -8.937 1.00 0.00 C ATOM 1272 O SER A 84 14.471 6.764 -8.066 1.00 0.00 O ATOM 1273 CB SER A 84 14.359 6.649 -11.315 1.00 0.00 C ATOM 1274 OG SER A 84 14.825 5.718 -12.276 1.00 0.00 O ATOM 0 H SER A 84 12.112 5.642 -11.566 1.00 0.00 H new ATOM 0 HA SER A 84 14.192 5.033 -9.908 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.679 7.357 -11.789 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.198 7.225 -10.926 1.00 0.00 H new ATOM 0 HG SER A 84 14.868 4.826 -11.873 1.00 0.00 H new ATOM 1280 N GLN A 85 12.598 7.711 -8.878 1.00 0.00 N ATOM 1281 CA GLN A 85 12.448 8.634 -7.760 1.00 0.00 C ATOM 1282 C GLN A 85 11.886 7.919 -6.536 1.00 0.00 C ATOM 1283 O GLN A 85 12.281 8.201 -5.403 1.00 0.00 O ATOM 1284 CB GLN A 85 11.535 9.798 -8.150 1.00 0.00 C ATOM 1285 CG GLN A 85 12.156 10.746 -9.162 1.00 0.00 C ATOM 1286 CD GLN A 85 11.551 12.135 -9.109 1.00 0.00 C ATOM 1287 OE1 GLN A 85 10.501 12.354 -9.893 1.00 0.00 O flip ATOM 1288 NE2 GLN A 85 12.022 13.002 -8.373 1.00 0.00 N flip ATOM 0 H GLN A 85 11.873 7.791 -9.591 1.00 0.00 H new ATOM 0 HA GLN A 85 13.434 9.024 -7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.607 9.399 -8.560 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.272 10.359 -7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.229 10.814 -8.980 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.028 10.336 -10.164 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.830 12.790 -7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.605 13.932 -8.349 1.00 0.00 H new ATOM 1297 N LEU A 86 10.962 6.994 -6.770 1.00 0.00 N ATOM 1298 CA LEU A 86 10.345 6.238 -5.685 1.00 0.00 C ATOM 1299 C LEU A 86 11.405 5.640 -4.766 1.00 0.00 C ATOM 1300 O LEU A 86 12.083 4.678 -5.126 1.00 0.00 O ATOM 1301 CB LEU A 86 9.459 5.127 -6.252 1.00 0.00 C ATOM 1302 CG LEU A 86 8.091 5.562 -6.778 1.00 0.00 C ATOM 1303 CD1 LEU A 86 7.447 4.442 -7.581 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.187 5.983 -5.629 1.00 0.00 C ATOM 0 H LEU A 86 10.623 6.749 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 86 9.730 6.923 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.999 4.637 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.306 4.379 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 86 8.232 6.419 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.474 4.770 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.086 4.187 -8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.319 3.566 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.218 6.289 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.053 5.145 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.642 6.817 -5.095 1.00 0.00 H new ATOM 1316 N LYS A 87 11.540 6.215 -3.576 1.00 0.00 N ATOM 1317 CA LYS A 87 12.515 5.738 -2.602 1.00 0.00 C ATOM 1318 C LYS A 87 12.544 4.213 -2.564 1.00 0.00 C ATOM 1319 O LYS A 87 11.536 3.570 -2.276 1.00 0.00 O ATOM 1320 CB LYS A 87 12.187 6.287 -1.211 1.00 0.00 C ATOM 1321 CG LYS A 87 13.301 6.082 -0.199 1.00 0.00 C ATOM 1322 CD LYS A 87 12.994 6.779 1.116 1.00 0.00 C ATOM 1323 CE LYS A 87 13.377 8.250 1.071 1.00 0.00 C ATOM 1324 NZ LYS A 87 13.763 8.765 2.414 1.00 0.00 N ATOM 0 H LYS A 87 10.986 7.012 -3.263 1.00 0.00 H new ATOM 0 HA LYS A 87 13.499 6.096 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.972 7.353 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.281 5.806 -0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.442 5.016 -0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.238 6.465 -0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.931 6.686 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.534 6.286 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.206 8.388 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.539 8.832 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.017 9.771 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.963 8.657 3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.579 8.227 2.771 1.00 0.00 H new ATOM 1338 N GLY A 88 13.708 3.641 -2.855 1.00 0.00 N ATOM 1339 CA GLY A 88 13.847 2.196 -2.847 1.00 0.00 C ATOM 1340 C GLY A 88 14.209 1.641 -4.210 1.00 0.00 C ATOM 1341 O GLY A 88 14.970 0.679 -4.315 1.00 0.00 O ATOM 0 H GLY A 88 14.557 4.152 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.614 1.912 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.913 1.746 -2.511 1.00 0.00 H new ATOM 1345 N PHE A 89 13.660 2.246 -5.258 1.00 0.00 N ATOM 1346 CA PHE A 89 13.927 1.804 -6.622 1.00 0.00 C ATOM 1347 C PHE A 89 15.392 1.412 -6.790 1.00 0.00 C ATOM 1348 O PHE A 89 15.703 0.337 -7.302 1.00 0.00 O ATOM 1349 CB PHE A 89 13.565 2.908 -7.618 1.00 0.00 C ATOM 1350 CG PHE A 89 13.757 2.507 -9.053 1.00 0.00 C ATOM 1351 CD1 PHE A 89 12.766 1.817 -9.732 1.00 0.00 C ATOM 1352 CD2 PHE A 89 14.929 2.821 -9.723 1.00 0.00 C ATOM 1353 CE1 PHE A 89 12.941 1.446 -11.052 1.00 0.00 C ATOM 1354 CE2 PHE A 89 15.109 2.453 -11.043 1.00 0.00 C ATOM 1355 CZ PHE A 89 14.113 1.766 -11.708 1.00 0.00 C ATOM 0 H PHE A 89 13.028 3.043 -5.189 1.00 0.00 H new ATOM 0 HA PHE A 89 13.310 0.928 -6.821 1.00 0.00 H new ATOM 0 HB2 PHE A 89 12.525 3.197 -7.466 1.00 0.00 H new ATOM 0 HB3 PHE A 89 14.174 3.788 -7.410 1.00 0.00 H new ATOM 0 HD1 PHE A 89 11.846 1.566 -9.224 1.00 0.00 H new ATOM 0 HD2 PHE A 89 15.711 3.359 -9.208 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.162 0.906 -11.570 1.00 0.00 H new ATOM 0 HE2 PHE A 89 16.027 2.702 -11.554 1.00 0.00 H new ATOM 0 HZ PHE A 89 14.250 1.479 -12.740 1.00 0.00 H new ATOM 1365 N SER A 90 16.287 2.293 -6.355 1.00 0.00 N ATOM 1366 CA SER A 90 17.720 2.042 -6.461 1.00 0.00 C ATOM 1367 C SER A 90 18.115 0.805 -5.661 1.00 0.00 C ATOM 1368 O SER A 90 18.968 0.023 -6.085 1.00 0.00 O ATOM 1369 CB SER A 90 18.510 3.256 -5.967 1.00 0.00 C ATOM 1370 OG SER A 90 19.891 3.115 -6.249 1.00 0.00 O ATOM 0 H SER A 90 16.046 3.186 -5.926 1.00 0.00 H new ATOM 0 HA SER A 90 17.956 1.866 -7.510 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.129 4.160 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.365 3.376 -4.893 1.00 0.00 H new ATOM 0 HG SER A 90 20.373 3.904 -5.925 1.00 0.00 H new ATOM 1376 N LEU A 91 17.490 0.632 -4.502 1.00 0.00 N ATOM 1377 CA LEU A 91 17.775 -0.510 -3.641 1.00 0.00 C ATOM 1378 C LEU A 91 17.373 -1.816 -4.319 1.00 0.00 C ATOM 1379 O LEU A 91 18.126 -2.791 -4.307 1.00 0.00 O ATOM 1380 CB LEU A 91 17.038 -0.366 -2.308 1.00 0.00 C ATOM 1381 CG LEU A 91 17.369 0.882 -1.489 1.00 0.00 C ATOM 1382 CD1 LEU A 91 16.547 0.915 -0.210 1.00 0.00 C ATOM 1383 CD2 LEU A 91 18.857 0.931 -1.171 1.00 0.00 C ATOM 0 H LEU A 91 16.782 1.269 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 91 18.849 -0.534 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.966 -0.372 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 91 17.255 -1.244 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 91 17.115 1.761 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.796 1.810 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.486 0.927 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.769 0.031 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 91 19.075 1.826 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 91 19.136 0.047 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 91 19.427 0.956 -2.100 1.00 0.00 H new ATOM 1395 N LEU A 92 16.184 -1.828 -4.911 1.00 0.00 N ATOM 1396 CA LEU A 92 15.683 -3.014 -5.596 1.00 0.00 C ATOM 1397 C LEU A 92 16.742 -3.593 -6.529 1.00 0.00 C ATOM 1398 O LEU A 92 17.663 -2.892 -6.949 1.00 0.00 O ATOM 1399 CB LEU A 92 14.420 -2.673 -6.389 1.00 0.00 C ATOM 1400 CG LEU A 92 13.297 -1.995 -5.604 1.00 0.00 C ATOM 1401 CD1 LEU A 92 12.261 -1.410 -6.552 1.00 0.00 C ATOM 1402 CD2 LEU A 92 12.648 -2.980 -4.643 1.00 0.00 C ATOM 0 H LEU A 92 15.549 -1.030 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 92 15.441 -3.763 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.700 -2.023 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.028 -3.593 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 92 13.727 -1.180 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.469 -0.932 -5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.735 -0.672 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.835 -2.207 -7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.851 -2.480 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.232 -3.816 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.396 -3.351 -3.942 1.00 0.00 H new ATOM 1414 N ALA A 93 16.604 -4.875 -6.850 1.00 0.00 N ATOM 1415 CA ALA A 93 17.547 -5.546 -7.736 1.00 0.00 C ATOM 1416 C ALA A 93 17.422 -5.027 -9.165 1.00 0.00 C ATOM 1417 O ALA A 93 16.344 -4.616 -9.596 1.00 0.00 O ATOM 1418 CB ALA A 93 17.326 -7.051 -7.699 1.00 0.00 C ATOM 0 H ALA A 93 15.848 -5.470 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 93 18.556 -5.328 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 93 18.037 -7.540 -8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.472 -7.415 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.310 -7.278 -8.023 1.00 0.00 H new ATOM 1424 N THR A 94 18.533 -5.047 -9.896 1.00 0.00 N ATOM 1425 CA THR A 94 18.548 -4.576 -11.275 1.00 0.00 C ATOM 1426 C THR A 94 17.374 -5.145 -12.063 1.00 0.00 C ATOM 1427 O THR A 94 16.735 -4.437 -12.840 1.00 0.00 O ATOM 1428 CB THR A 94 19.862 -4.958 -11.984 1.00 0.00 C ATOM 1429 OG1 THR A 94 20.982 -4.517 -11.209 1.00 0.00 O ATOM 1430 CG2 THR A 94 19.925 -4.342 -13.373 1.00 0.00 C ATOM 0 H THR A 94 19.433 -5.384 -9.556 1.00 0.00 H new ATOM 0 HA THR A 94 18.465 -3.490 -11.240 1.00 0.00 H new ATOM 0 HB THR A 94 19.895 -6.043 -12.083 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.813 -4.765 -11.665 1.00 0.00 H new ATOM 0 HG21 THR A 94 20.861 -4.625 -13.854 1.00 0.00 H new ATOM 0 HG22 THR A 94 19.087 -4.702 -13.969 1.00 0.00 H new ATOM 0 HG23 THR A 94 19.872 -3.256 -13.292 1.00 0.00 H new ATOM 1438 N GLU A 95 17.097 -6.429 -11.858 1.00 0.00 N ATOM 1439 CA GLU A 95 15.999 -7.093 -12.551 1.00 0.00 C ATOM 1440 C GLU A 95 14.663 -6.440 -12.205 1.00 0.00 C ATOM 1441 O GLU A 95 13.929 -5.998 -13.089 1.00 0.00 O ATOM 1442 CB GLU A 95 15.961 -8.579 -12.189 1.00 0.00 C ATOM 1443 CG GLU A 95 17.187 -9.349 -12.652 1.00 0.00 C ATOM 1444 CD GLU A 95 18.417 -9.044 -11.820 1.00 0.00 C ATOM 1445 OE1 GLU A 95 18.357 -9.221 -10.585 1.00 0.00 O ATOM 1446 OE2 GLU A 95 19.439 -8.627 -12.403 1.00 0.00 O ATOM 0 H GLU A 95 17.617 -7.030 -11.218 1.00 0.00 H new ATOM 0 HA GLU A 95 16.167 -6.992 -13.623 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.866 -8.679 -11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 95 15.072 -9.029 -12.630 1.00 0.00 H new ATOM 0 HG2 GLU A 95 16.978 -10.418 -12.607 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.390 -9.108 -13.695 1.00 0.00 H new ATOM 1453 N ASP A 96 14.356 -6.385 -10.914 1.00 0.00 N ATOM 1454 CA ASP A 96 13.110 -5.786 -10.449 1.00 0.00 C ATOM 1455 C ASP A 96 12.984 -4.346 -10.936 1.00 0.00 C ATOM 1456 O ASP A 96 11.927 -3.929 -11.411 1.00 0.00 O ATOM 1457 CB ASP A 96 13.036 -5.830 -8.922 1.00 0.00 C ATOM 1458 CG ASP A 96 12.546 -7.168 -8.404 1.00 0.00 C ATOM 1459 OD1 ASP A 96 11.648 -7.757 -9.041 1.00 0.00 O ATOM 1460 OD2 ASP A 96 13.059 -7.625 -7.361 1.00 0.00 O ATOM 0 H ASP A 96 14.953 -6.748 -10.171 1.00 0.00 H new ATOM 0 HA ASP A 96 12.282 -6.363 -10.861 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.022 -5.622 -8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.370 -5.042 -8.571 1.00 0.00 H new ATOM 1465 N LYS A 97 14.069 -3.589 -10.814 1.00 0.00 N ATOM 1466 CA LYS A 97 14.082 -2.195 -11.241 1.00 0.00 C ATOM 1467 C LYS A 97 13.369 -2.029 -12.579 1.00 0.00 C ATOM 1468 O LYS A 97 12.413 -1.263 -12.693 1.00 0.00 O ATOM 1469 CB LYS A 97 15.521 -1.687 -11.352 1.00 0.00 C ATOM 1470 CG LYS A 97 16.105 -1.220 -10.030 1.00 0.00 C ATOM 1471 CD LYS A 97 17.623 -1.286 -10.036 1.00 0.00 C ATOM 1472 CE LYS A 97 18.229 -0.267 -9.082 1.00 0.00 C ATOM 1473 NZ LYS A 97 19.633 0.068 -9.448 1.00 0.00 N ATOM 0 H LYS A 97 14.952 -3.918 -10.423 1.00 0.00 H new ATOM 0 HA LYS A 97 13.552 -1.607 -10.491 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.148 -2.482 -11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.553 -0.863 -12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.785 -0.197 -9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.716 -1.838 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.946 -2.288 -9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.992 -1.105 -11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.625 0.641 -9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.202 -0.660 -8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.010 0.765 -8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 20.215 -0.794 -9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.656 0.467 -10.408 1.00 0.00 H new ATOM 1487 N GLU A 98 13.840 -2.754 -13.590 1.00 0.00 N ATOM 1488 CA GLU A 98 13.246 -2.687 -14.919 1.00 0.00 C ATOM 1489 C GLU A 98 11.735 -2.888 -14.851 1.00 0.00 C ATOM 1490 O GLU A 98 10.968 -2.116 -15.427 1.00 0.00 O ATOM 1491 CB GLU A 98 13.870 -3.741 -15.835 1.00 0.00 C ATOM 1492 CG GLU A 98 15.338 -3.492 -16.138 1.00 0.00 C ATOM 1493 CD GLU A 98 15.883 -4.429 -17.199 1.00 0.00 C ATOM 1494 OE1 GLU A 98 16.075 -5.624 -16.891 1.00 0.00 O ATOM 1495 OE2 GLU A 98 16.117 -3.968 -18.335 1.00 0.00 O ATOM 0 H GLU A 98 14.631 -3.394 -13.513 1.00 0.00 H new ATOM 0 HA GLU A 98 13.446 -1.696 -15.328 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.765 -4.722 -15.371 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.314 -3.771 -16.772 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.467 -2.461 -16.468 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.919 -3.609 -15.223 1.00 0.00 H new ATOM 1502 N ALA A 99 11.314 -3.930 -14.143 1.00 0.00 N ATOM 1503 CA ALA A 99 9.895 -4.233 -13.997 1.00 0.00 C ATOM 1504 C ALA A 99 9.086 -2.964 -13.749 1.00 0.00 C ATOM 1505 O ALA A 99 8.166 -2.645 -14.503 1.00 0.00 O ATOM 1506 CB ALA A 99 9.681 -5.227 -12.866 1.00 0.00 C ATOM 0 H ALA A 99 11.935 -4.579 -13.661 1.00 0.00 H new ATOM 0 HA ALA A 99 9.546 -4.679 -14.928 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.617 -5.444 -12.769 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.221 -6.148 -13.084 1.00 0.00 H new ATOM 0 HB3 ALA A 99 10.052 -4.802 -11.933 1.00 0.00 H new ATOM 1512 N LEU A 100 9.434 -2.244 -12.688 1.00 0.00 N ATOM 1513 CA LEU A 100 8.739 -1.010 -12.340 1.00 0.00 C ATOM 1514 C LEU A 100 8.806 -0.005 -13.486 1.00 0.00 C ATOM 1515 O LEU A 100 7.779 0.478 -13.963 1.00 0.00 O ATOM 1516 CB LEU A 100 9.347 -0.399 -11.076 1.00 0.00 C ATOM 1517 CG LEU A 100 8.887 -1.006 -9.749 1.00 0.00 C ATOM 1518 CD1 LEU A 100 9.652 -0.392 -8.588 1.00 0.00 C ATOM 1519 CD2 LEU A 100 7.389 -0.813 -9.565 1.00 0.00 C ATOM 0 H LEU A 100 10.193 -2.494 -12.054 1.00 0.00 H new ATOM 0 HA LEU A 100 7.693 -1.252 -12.154 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.431 -0.490 -11.138 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.117 0.666 -11.065 1.00 0.00 H new ATOM 0 HG LEU A 100 9.095 -2.076 -9.769 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.311 -0.836 -7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.718 -0.583 -8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.476 0.683 -8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.080 -1.251 -8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.156 0.252 -9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.856 -1.302 -10.381 1.00 0.00 H new ATOM 1531 N LYS A 101 10.022 0.303 -13.925 1.00 0.00 N ATOM 1532 CA LYS A 101 10.224 1.247 -15.018 1.00 0.00 C ATOM 1533 C LYS A 101 9.175 1.050 -16.109 1.00 0.00 C ATOM 1534 O LYS A 101 8.506 1.998 -16.520 1.00 0.00 O ATOM 1535 CB LYS A 101 11.626 1.083 -15.609 1.00 0.00 C ATOM 1536 CG LYS A 101 12.740 1.317 -14.604 1.00 0.00 C ATOM 1537 CD LYS A 101 14.024 1.759 -15.287 1.00 0.00 C ATOM 1538 CE LYS A 101 14.750 0.584 -15.922 1.00 0.00 C ATOM 1539 NZ LYS A 101 15.544 -0.183 -14.923 1.00 0.00 N ATOM 0 H LYS A 101 10.882 -0.087 -13.541 1.00 0.00 H new ATOM 0 HA LYS A 101 10.121 2.255 -14.617 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.723 0.078 -16.019 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.745 1.779 -16.439 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.429 2.075 -13.885 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.922 0.401 -14.042 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.794 2.502 -16.051 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.677 2.241 -14.560 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.025 -0.078 -16.395 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.411 0.948 -16.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.116 -0.901 -15.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.171 0.466 -14.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.900 -0.650 -14.253 1.00 0.00 H new ATOM 1553 N LYS A 102 9.036 -0.188 -16.572 1.00 0.00 N ATOM 1554 CA LYS A 102 8.067 -0.511 -17.613 1.00 0.00 C ATOM 1555 C LYS A 102 6.693 0.055 -17.271 1.00 0.00 C ATOM 1556 O LYS A 102 6.039 0.672 -18.112 1.00 0.00 O ATOM 1557 CB LYS A 102 7.974 -2.027 -17.799 1.00 0.00 C ATOM 1558 CG LYS A 102 9.119 -2.612 -18.608 1.00 0.00 C ATOM 1559 CD LYS A 102 9.022 -4.125 -18.698 1.00 0.00 C ATOM 1560 CE LYS A 102 10.036 -4.691 -19.680 1.00 0.00 C ATOM 1561 NZ LYS A 102 9.536 -4.645 -21.082 1.00 0.00 N ATOM 0 H LYS A 102 9.582 -0.984 -16.243 1.00 0.00 H new ATOM 0 HA LYS A 102 8.406 -0.057 -18.544 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.952 -2.504 -16.819 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.032 -2.267 -18.292 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.112 -2.186 -19.611 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.068 -2.334 -18.150 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.186 -4.560 -17.712 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.016 -4.408 -19.008 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.966 -4.127 -19.607 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.267 -5.722 -19.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.256 -5.040 -21.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.662 -5.204 -21.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.340 -3.659 -21.349 1.00 0.00 H new ATOM 1575 N GLN A 103 6.261 -0.158 -16.032 1.00 0.00 N ATOM 1576 CA GLN A 103 4.965 0.333 -15.580 1.00 0.00 C ATOM 1577 C GLN A 103 4.964 1.854 -15.475 1.00 0.00 C ATOM 1578 O GLN A 103 4.058 2.521 -15.977 1.00 0.00 O ATOM 1579 CB GLN A 103 4.606 -0.284 -14.227 1.00 0.00 C ATOM 1580 CG GLN A 103 4.533 -1.802 -14.250 1.00 0.00 C ATOM 1581 CD GLN A 103 4.120 -2.387 -12.913 1.00 0.00 C ATOM 1582 OE1 GLN A 103 4.686 -2.048 -11.873 1.00 0.00 O ATOM 1583 NE2 GLN A 103 3.129 -3.270 -12.934 1.00 0.00 N ATOM 0 H GLN A 103 6.790 -0.667 -15.324 1.00 0.00 H new ATOM 0 HA GLN A 103 4.217 0.038 -16.316 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.346 0.025 -13.489 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.645 0.113 -13.900 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.823 -2.116 -15.015 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.505 -2.204 -14.534 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.689 -3.521 -13.819 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.808 -3.697 -12.065 1.00 0.00 H new ATOM 1592 N LEU A 104 5.984 2.397 -14.820 1.00 0.00 N ATOM 1593 CA LEU A 104 6.102 3.841 -14.649 1.00 0.00 C ATOM 1594 C LEU A 104 7.331 4.377 -15.376 1.00 0.00 C ATOM 1595 O LEU A 104 8.348 4.709 -14.766 1.00 0.00 O ATOM 1596 CB LEU A 104 6.180 4.194 -13.163 1.00 0.00 C ATOM 1597 CG LEU A 104 5.144 3.524 -12.259 1.00 0.00 C ATOM 1598 CD1 LEU A 104 5.570 3.614 -10.802 1.00 0.00 C ATOM 1599 CD2 LEU A 104 3.775 4.158 -12.456 1.00 0.00 C ATOM 0 H LEU A 104 6.741 1.859 -14.399 1.00 0.00 H new ATOM 0 HA LEU A 104 5.216 4.306 -15.080 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.174 3.932 -12.799 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.078 5.274 -13.061 1.00 0.00 H new ATOM 0 HG LEU A 104 5.078 2.471 -12.533 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.821 3.132 -10.174 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.529 3.113 -10.672 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.665 4.661 -10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.050 3.669 -11.805 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.826 5.219 -12.210 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.466 4.041 -13.495 1.00 0.00 H new ATOM 1611 N PRO A 105 7.237 4.468 -16.711 1.00 0.00 N ATOM 1612 CA PRO A 105 8.331 4.966 -17.549 1.00 0.00 C ATOM 1613 C PRO A 105 8.567 6.461 -17.367 1.00 0.00 C ATOM 1614 O PRO A 105 9.673 6.956 -17.580 1.00 0.00 O ATOM 1615 CB PRO A 105 7.851 4.670 -18.972 1.00 0.00 C ATOM 1616 CG PRO A 105 6.365 4.637 -18.871 1.00 0.00 C ATOM 1617 CD PRO A 105 6.055 4.091 -17.504 1.00 0.00 C ATOM 0 HA PRO A 105 9.282 4.496 -17.299 1.00 0.00 H new ATOM 0 HB2 PRO A 105 8.183 5.438 -19.670 1.00 0.00 H new ATOM 0 HB3 PRO A 105 8.245 3.720 -19.333 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.943 5.634 -18.998 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.935 4.007 -19.650 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.142 4.524 -17.096 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.913 3.010 -17.525 1.00 0.00 H new ATOM 1625 N GLY A 106 7.519 7.177 -16.970 1.00 0.00 N ATOM 1626 CA GLY A 106 7.633 8.609 -16.765 1.00 0.00 C ATOM 1627 C GLY A 106 6.751 9.402 -17.710 1.00 0.00 C ATOM 1628 O GLY A 106 5.975 8.829 -18.475 1.00 0.00 O ATOM 0 H GLY A 106 6.593 6.790 -16.787 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.365 8.848 -15.736 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.671 8.911 -16.902 1.00 0.00 H new