USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 563 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 72 SER OG : rot -83:sc= 0.408 USER MOD Set 1.2: A 73 CYS SG : rot -175:sc= -3.96! USER MOD Single : A 15 SER OG : rot 163:sc= 0.105 USER MOD Single : A 16 LYS NZ :NH3+ -134:sc= -2.69! (180deg=-5.59!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.618 K(o=0.62,f=-0.03) USER MOD Single : A 24 SER OG : rot -109:sc= -1.3 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 109:sc= 0.596 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -120:sc= -0.125 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.458 USER MOD Single : A 62 SER OG : rot 55:sc= 1.27 USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0536) USER MOD Single : A 71 ASN : amide:sc= -2.84! C(o=-2.8!,f=-2.1!) USER MOD Single : A 74 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.54) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -1.260 15.814 4.068 1.00 0.00 N ATOM 163 CA SER A 15 -0.860 14.705 4.926 1.00 0.00 C ATOM 164 C SER A 15 -0.125 13.635 4.124 1.00 0.00 C ATOM 165 O SER A 15 -0.736 12.880 3.367 1.00 0.00 O ATOM 166 CB SER A 15 -2.084 14.094 5.610 1.00 0.00 C ATOM 167 OG SER A 15 -1.727 13.469 6.831 1.00 0.00 O ATOM 0 HA SER A 15 -0.183 15.093 5.687 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.825 14.871 5.799 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.549 13.365 4.947 1.00 0.00 H new ATOM 0 HG SER A 15 -2.530 13.331 7.375 1.00 0.00 H new ATOM 173 N LYS A 16 1.191 13.576 4.294 1.00 0.00 N ATOM 174 CA LYS A 16 2.012 12.599 3.589 1.00 0.00 C ATOM 175 C LYS A 16 1.976 11.247 4.294 1.00 0.00 C ATOM 176 O LYS A 16 2.826 10.388 4.057 1.00 0.00 O ATOM 177 CB LYS A 16 3.456 13.095 3.486 1.00 0.00 C ATOM 178 CG LYS A 16 4.085 13.419 4.831 1.00 0.00 C ATOM 179 CD LYS A 16 4.790 12.210 5.422 1.00 0.00 C ATOM 180 CE LYS A 16 5.676 12.601 6.595 1.00 0.00 C ATOM 181 NZ LYS A 16 5.781 11.506 7.599 1.00 0.00 N ATOM 0 H LYS A 16 1.713 14.194 4.915 1.00 0.00 H new ATOM 0 HA LYS A 16 1.604 12.476 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.058 12.336 2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.482 13.986 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.798 14.235 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.315 13.765 5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.050 11.480 5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.394 11.728 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.671 12.856 6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.273 13.494 7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.651 11.897 8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.046 10.793 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.719 11.062 7.531 1.00 0.00 H new ATOM 195 N THR A 17 0.985 11.063 5.161 1.00 0.00 N ATOM 196 CA THR A 17 0.838 9.816 5.900 1.00 0.00 C ATOM 197 C THR A 17 -0.524 9.181 5.642 1.00 0.00 C ATOM 198 O THR A 17 -1.538 9.619 6.187 1.00 0.00 O ATOM 199 CB THR A 17 1.010 10.037 7.414 1.00 0.00 C ATOM 200 OG1 THR A 17 2.259 10.684 7.676 1.00 0.00 O ATOM 201 CG2 THR A 17 0.951 8.714 8.164 1.00 0.00 C ATOM 0 H THR A 17 0.272 11.763 5.368 1.00 0.00 H new ATOM 0 HA THR A 17 1.621 9.145 5.547 1.00 0.00 H new ATOM 0 HB THR A 17 0.194 10.670 7.761 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.360 10.822 8.641 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.075 8.895 9.232 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.013 8.238 7.986 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.749 8.060 7.812 1.00 0.00 H new ATOM 209 N LEU A 18 -0.540 8.146 4.808 1.00 0.00 N ATOM 210 CA LEU A 18 -1.779 7.450 4.478 1.00 0.00 C ATOM 211 C LEU A 18 -2.023 6.289 5.437 1.00 0.00 C ATOM 212 O LEU A 18 -1.113 5.516 5.737 1.00 0.00 O ATOM 213 CB LEU A 18 -1.729 6.935 3.038 1.00 0.00 C ATOM 214 CG LEU A 18 -1.223 7.925 1.989 1.00 0.00 C ATOM 215 CD1 LEU A 18 -1.018 7.228 0.653 1.00 0.00 C ATOM 216 CD2 LEU A 18 -2.193 9.089 1.842 1.00 0.00 C ATOM 0 H LEU A 18 0.290 7.771 4.349 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.602 8.158 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.092 6.051 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.731 6.615 2.753 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.263 8.318 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.658 7.948 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.285 6.429 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.964 6.806 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.817 9.784 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.168 8.713 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.290 9.605 2.797 1.00 0.00 H new ATOM 228 N VAL A 19 -3.258 6.172 5.914 1.00 0.00 N ATOM 229 CA VAL A 19 -3.623 5.103 6.836 1.00 0.00 C ATOM 230 C VAL A 19 -4.346 3.974 6.110 1.00 0.00 C ATOM 231 O VAL A 19 -5.421 4.173 5.543 1.00 0.00 O ATOM 232 CB VAL A 19 -4.522 5.626 7.973 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.658 4.580 9.069 1.00 0.00 C ATOM 234 CG2 VAL A 19 -3.970 6.928 8.532 1.00 0.00 C ATOM 0 H VAL A 19 -4.023 6.804 5.677 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.695 4.721 7.262 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.514 5.824 7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.296 4.966 9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.102 3.675 8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.673 4.348 9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.617 7.283 9.334 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.967 6.760 8.923 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.930 7.676 7.740 1.00 0.00 H new ATOM 244 N LEU A 20 -3.750 2.787 6.133 1.00 0.00 N ATOM 245 CA LEU A 20 -4.336 1.623 5.477 1.00 0.00 C ATOM 246 C LEU A 20 -5.331 0.923 6.398 1.00 0.00 C ATOM 247 O LEU A 20 -5.092 0.788 7.597 1.00 0.00 O ATOM 248 CB LEU A 20 -3.240 0.645 5.054 1.00 0.00 C ATOM 249 CG LEU A 20 -3.625 -0.370 3.977 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.409 -0.757 3.149 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.257 -1.603 4.607 1.00 0.00 C ATOM 0 H LEU A 20 -2.861 2.605 6.599 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.869 1.966 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.387 1.220 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.907 0.099 5.937 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.358 0.092 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.702 -1.480 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.999 0.131 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.653 -1.200 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.525 -2.314 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.547 -2.066 5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.153 -1.313 5.156 1.00 0.00 H new ATOM 263 N SER A 21 -6.446 0.479 5.827 1.00 0.00 N ATOM 264 CA SER A 21 -7.478 -0.206 6.597 1.00 0.00 C ATOM 265 C SER A 21 -7.864 -1.525 5.934 1.00 0.00 C ATOM 266 O SER A 21 -7.956 -1.613 4.711 1.00 0.00 O ATOM 267 CB SER A 21 -8.712 0.686 6.742 1.00 0.00 C ATOM 268 OG SER A 21 -8.357 1.976 7.208 1.00 0.00 O ATOM 0 H SER A 21 -6.658 0.581 4.835 1.00 0.00 H new ATOM 0 HA SER A 21 -7.076 -0.421 7.587 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.219 0.770 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.417 0.227 7.435 1.00 0.00 H new ATOM 0 HG SER A 21 -9.163 2.527 7.291 1.00 0.00 H new ATOM 274 N ASN A 22 -8.089 -2.547 6.753 1.00 0.00 N ATOM 275 CA ASN A 22 -8.466 -3.863 6.247 1.00 0.00 C ATOM 276 C ASN A 22 -7.290 -4.531 5.541 1.00 0.00 C ATOM 277 O ASN A 22 -7.433 -5.063 4.440 1.00 0.00 O ATOM 278 CB ASN A 22 -9.650 -3.743 5.286 1.00 0.00 C ATOM 279 CG ASN A 22 -10.458 -5.024 5.202 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.035 -5.473 6.192 1.00 0.00 O ATOM 281 ND2 ASN A 22 -10.503 -5.618 4.015 1.00 0.00 N ATOM 0 H ASN A 22 -8.017 -2.490 7.769 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.757 -4.482 7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.298 -2.929 5.611 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.284 -3.482 4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.032 -6.482 3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.009 -5.210 3.221 1.00 0.00 H new ATOM 288 N LEU A 23 -6.127 -4.500 6.183 1.00 0.00 N ATOM 289 CA LEU A 23 -4.925 -5.103 5.618 1.00 0.00 C ATOM 290 C LEU A 23 -4.912 -6.611 5.848 1.00 0.00 C ATOM 291 O LEU A 23 -5.170 -7.082 6.956 1.00 0.00 O ATOM 292 CB LEU A 23 -3.675 -4.471 6.233 1.00 0.00 C ATOM 293 CG LEU A 23 -2.377 -4.643 5.444 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.212 -4.010 6.188 1.00 0.00 C ATOM 295 CD2 LEU A 23 -2.106 -6.117 5.178 1.00 0.00 C ATOM 0 H LEU A 23 -5.991 -4.064 7.095 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.927 -4.918 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.858 -3.404 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.531 -4.894 7.227 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.487 -4.136 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.297 -4.142 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.403 -2.946 6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.100 -4.487 7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.178 -6.221 4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.017 -6.647 6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.929 -6.540 4.602 1.00 0.00 H new ATOM 307 N SER A 24 -4.609 -7.363 4.795 1.00 0.00 N ATOM 308 CA SER A 24 -4.564 -8.818 4.882 1.00 0.00 C ATOM 309 C SER A 24 -3.382 -9.275 5.733 1.00 0.00 C ATOM 310 O SER A 24 -2.248 -8.846 5.521 1.00 0.00 O ATOM 311 CB SER A 24 -4.467 -9.431 3.484 1.00 0.00 C ATOM 312 OG SER A 24 -3.370 -8.894 2.766 1.00 0.00 O ATOM 0 H SER A 24 -4.391 -6.989 3.871 1.00 0.00 H new ATOM 0 HA SER A 24 -5.485 -9.158 5.357 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.358 -10.513 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.391 -9.243 2.937 1.00 0.00 H new ATOM 0 HG SER A 24 -3.701 -8.312 2.050 1.00 0.00 H new ATOM 318 N TYR A 25 -3.658 -10.147 6.696 1.00 0.00 N ATOM 319 CA TYR A 25 -2.620 -10.662 7.581 1.00 0.00 C ATOM 320 C TYR A 25 -1.506 -11.332 6.782 1.00 0.00 C ATOM 321 O TYR A 25 -0.374 -11.451 7.252 1.00 0.00 O ATOM 322 CB TYR A 25 -3.217 -11.656 8.578 1.00 0.00 C ATOM 323 CG TYR A 25 -4.638 -11.331 8.979 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.903 -10.494 10.056 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.716 -11.863 8.282 1.00 0.00 C ATOM 326 CE1 TYR A 25 -6.200 -10.196 10.427 1.00 0.00 C ATOM 327 CE2 TYR A 25 -7.016 -11.568 8.645 1.00 0.00 C ATOM 328 CZ TYR A 25 -7.253 -10.735 9.718 1.00 0.00 C ATOM 329 OH TYR A 25 -8.546 -10.440 10.083 1.00 0.00 O ATOM 0 H TYR A 25 -4.592 -10.512 6.884 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.194 -9.821 8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.191 -12.655 8.143 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.593 -11.681 9.471 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.081 -10.069 10.613 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.535 -12.518 7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.388 -9.545 11.268 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.843 -11.988 8.091 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.169 -10.899 9.481 1.00 0.00 H new ATOM 339 N SER A 26 -1.835 -11.768 5.571 1.00 0.00 N ATOM 340 CA SER A 26 -0.865 -12.430 4.706 1.00 0.00 C ATOM 341 C SER A 26 0.035 -11.408 4.018 1.00 0.00 C ATOM 342 O SER A 26 1.077 -11.756 3.464 1.00 0.00 O ATOM 343 CB SER A 26 -1.582 -13.282 3.658 1.00 0.00 C ATOM 344 OG SER A 26 -2.051 -14.495 4.221 1.00 0.00 O ATOM 0 H SER A 26 -2.766 -11.675 5.166 1.00 0.00 H new ATOM 0 HA SER A 26 -0.244 -13.077 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.420 -12.723 3.241 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.902 -13.499 2.834 1.00 0.00 H new ATOM 0 HG SER A 26 -2.507 -15.021 3.531 1.00 0.00 H new ATOM 350 N ALA A 27 -0.376 -10.145 4.058 1.00 0.00 N ATOM 351 CA ALA A 27 0.392 -9.071 3.441 1.00 0.00 C ATOM 352 C ALA A 27 1.320 -8.408 4.453 1.00 0.00 C ATOM 353 O ALA A 27 0.967 -8.244 5.622 1.00 0.00 O ATOM 354 CB ALA A 27 -0.542 -8.041 2.824 1.00 0.00 C ATOM 0 H ALA A 27 -1.237 -9.840 4.512 1.00 0.00 H new ATOM 0 HA ALA A 27 1.008 -9.505 2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.045 -7.245 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.159 -8.519 2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.182 -7.620 3.599 1.00 0.00 H new ATOM 360 N THR A 28 2.510 -8.028 3.999 1.00 0.00 N ATOM 361 CA THR A 28 3.490 -7.384 4.865 1.00 0.00 C ATOM 362 C THR A 28 4.170 -6.219 4.155 1.00 0.00 C ATOM 363 O THR A 28 3.933 -5.979 2.972 1.00 0.00 O ATOM 364 CB THR A 28 4.564 -8.382 5.336 1.00 0.00 C ATOM 365 OG1 THR A 28 5.504 -8.624 4.283 1.00 0.00 O ATOM 366 CG2 THR A 28 3.931 -9.695 5.769 1.00 0.00 C ATOM 0 H THR A 28 2.819 -8.155 3.035 1.00 0.00 H new ATOM 0 HA THR A 28 2.947 -7.009 5.733 1.00 0.00 H new ATOM 0 HB THR A 28 5.081 -7.947 6.191 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.184 -9.258 4.591 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.710 -10.383 6.097 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.239 -9.512 6.591 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.390 -10.132 4.930 1.00 0.00 H new ATOM 374 N GLU A 29 5.017 -5.500 4.885 1.00 0.00 N ATOM 375 CA GLU A 29 5.731 -4.360 4.324 1.00 0.00 C ATOM 376 C GLU A 29 6.207 -4.661 2.905 1.00 0.00 C ATOM 377 O GLU A 29 6.347 -3.757 2.082 1.00 0.00 O ATOM 378 CB GLU A 29 6.926 -3.993 5.207 1.00 0.00 C ATOM 379 CG GLU A 29 6.569 -3.072 6.361 1.00 0.00 C ATOM 380 CD GLU A 29 7.516 -3.215 7.536 1.00 0.00 C ATOM 381 OE1 GLU A 29 7.250 -4.061 8.415 1.00 0.00 O ATOM 382 OE2 GLU A 29 8.525 -2.480 7.577 1.00 0.00 O ATOM 0 H GLU A 29 5.225 -5.687 5.866 1.00 0.00 H new ATOM 0 HA GLU A 29 5.043 -3.516 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.367 -4.907 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.688 -3.513 4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.581 -2.039 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.552 -3.286 6.691 1.00 0.00 H new ATOM 389 N GLU A 30 6.454 -5.938 2.629 1.00 0.00 N ATOM 390 CA GLU A 30 6.915 -6.358 1.311 1.00 0.00 C ATOM 391 C GLU A 30 5.840 -6.117 0.256 1.00 0.00 C ATOM 392 O GLU A 30 6.102 -5.524 -0.792 1.00 0.00 O ATOM 393 CB GLU A 30 7.304 -7.837 1.330 1.00 0.00 C ATOM 394 CG GLU A 30 8.749 -8.082 1.733 1.00 0.00 C ATOM 395 CD GLU A 30 9.260 -9.435 1.279 1.00 0.00 C ATOM 396 OE1 GLU A 30 9.614 -9.566 0.088 1.00 0.00 O ATOM 397 OE2 GLU A 30 9.306 -10.363 2.113 1.00 0.00 O ATOM 0 H GLU A 30 6.343 -6.698 3.300 1.00 0.00 H new ATOM 0 HA GLU A 30 7.791 -5.763 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.648 -8.367 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.135 -8.261 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.378 -7.299 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.837 -8.010 2.817 1.00 0.00 H new ATOM 404 N THR A 31 4.627 -6.581 0.539 1.00 0.00 N ATOM 405 CA THR A 31 3.511 -6.418 -0.385 1.00 0.00 C ATOM 406 C THR A 31 3.160 -4.947 -0.569 1.00 0.00 C ATOM 407 O THR A 31 2.843 -4.507 -1.675 1.00 0.00 O ATOM 408 CB THR A 31 2.262 -7.175 0.104 1.00 0.00 C ATOM 409 OG1 THR A 31 2.568 -8.563 0.280 1.00 0.00 O ATOM 410 CG2 THR A 31 1.116 -7.025 -0.886 1.00 0.00 C ATOM 0 H THR A 31 4.392 -7.073 1.401 1.00 0.00 H new ATOM 0 HA THR A 31 3.829 -6.835 -1.341 1.00 0.00 H new ATOM 0 HB THR A 31 1.955 -6.747 1.058 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.769 -9.037 0.593 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.245 -7.568 -0.519 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.866 -5.970 -0.996 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.415 -7.430 -1.853 1.00 0.00 H new ATOM 418 N LEU A 32 3.219 -4.188 0.520 1.00 0.00 N ATOM 419 CA LEU A 32 2.907 -2.764 0.478 1.00 0.00 C ATOM 420 C LEU A 32 3.978 -1.995 -0.288 1.00 0.00 C ATOM 421 O LEU A 32 3.678 -1.030 -0.991 1.00 0.00 O ATOM 422 CB LEU A 32 2.781 -2.207 1.898 1.00 0.00 C ATOM 423 CG LEU A 32 1.840 -2.965 2.835 1.00 0.00 C ATOM 424 CD1 LEU A 32 1.799 -2.301 4.202 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.443 -3.046 2.236 1.00 0.00 C ATOM 0 H LEU A 32 3.480 -4.535 1.443 1.00 0.00 H new ATOM 0 HA LEU A 32 1.956 -2.641 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.773 -2.189 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.441 -1.173 1.833 1.00 0.00 H new ATOM 0 HG LEU A 32 2.220 -3.979 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.124 -2.854 4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.800 -2.296 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.444 -1.276 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.214 -3.589 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.054 -2.039 2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.487 -3.568 1.280 1.00 0.00 H new ATOM 437 N GLN A 33 5.226 -2.430 -0.150 1.00 0.00 N ATOM 438 CA GLN A 33 6.341 -1.783 -0.831 1.00 0.00 C ATOM 439 C GLN A 33 6.195 -1.899 -2.345 1.00 0.00 C ATOM 440 O GLN A 33 6.889 -1.217 -3.098 1.00 0.00 O ATOM 441 CB GLN A 33 7.667 -2.402 -0.386 1.00 0.00 C ATOM 442 CG GLN A 33 8.275 -1.726 0.832 1.00 0.00 C ATOM 443 CD GLN A 33 9.180 -0.566 0.465 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.405 -0.679 0.519 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.581 0.557 0.089 1.00 0.00 N ATOM 0 H GLN A 33 5.491 -3.228 0.427 1.00 0.00 H new ATOM 0 HA GLN A 33 6.334 -0.726 -0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.510 -3.458 -0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.377 -2.352 -1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.476 -1.367 1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.844 -2.459 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.563 0.606 0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.139 1.371 -0.170 1.00 0.00 H new ATOM 454 N GLU A 34 5.288 -2.767 -2.782 1.00 0.00 N ATOM 455 CA GLU A 34 5.053 -2.972 -4.207 1.00 0.00 C ATOM 456 C GLU A 34 3.924 -2.075 -4.707 1.00 0.00 C ATOM 457 O GLU A 34 3.987 -1.535 -5.811 1.00 0.00 O ATOM 458 CB GLU A 34 4.715 -4.438 -4.485 1.00 0.00 C ATOM 459 CG GLU A 34 5.801 -5.406 -4.046 1.00 0.00 C ATOM 460 CD GLU A 34 6.948 -5.484 -5.036 1.00 0.00 C ATOM 461 OE1 GLU A 34 6.859 -6.294 -5.983 1.00 0.00 O ATOM 462 OE2 GLU A 34 7.933 -4.736 -4.864 1.00 0.00 O ATOM 0 H GLU A 34 4.705 -3.339 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 34 5.966 -2.709 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.786 -4.691 -3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.537 -4.565 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.186 -5.098 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.368 -6.398 -3.918 1.00 0.00 H new ATOM 469 N VAL A 35 2.890 -1.922 -3.885 1.00 0.00 N ATOM 470 CA VAL A 35 1.746 -1.091 -4.242 1.00 0.00 C ATOM 471 C VAL A 35 2.123 0.386 -4.255 1.00 0.00 C ATOM 472 O VAL A 35 1.724 1.132 -5.150 1.00 0.00 O ATOM 473 CB VAL A 35 0.573 -1.301 -3.266 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.641 -0.500 -3.710 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.234 -2.780 -3.153 1.00 0.00 C ATOM 0 H VAL A 35 2.821 -2.363 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 35 1.435 -1.393 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 35 0.873 -0.944 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.460 -0.661 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.388 0.560 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.947 -0.824 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.597 -2.911 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.047 -3.165 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.103 -3.325 -2.785 1.00 0.00 H new ATOM 485 N PHE A 36 2.895 0.803 -3.257 1.00 0.00 N ATOM 486 CA PHE A 36 3.327 2.192 -3.153 1.00 0.00 C ATOM 487 C PHE A 36 4.826 2.317 -3.406 1.00 0.00 C ATOM 488 O PHE A 36 5.641 1.933 -2.568 1.00 0.00 O ATOM 489 CB PHE A 36 2.983 2.753 -1.772 1.00 0.00 C ATOM 490 CG PHE A 36 1.561 2.501 -1.359 1.00 0.00 C ATOM 491 CD1 PHE A 36 1.216 1.339 -0.689 1.00 0.00 C ATOM 492 CD2 PHE A 36 0.569 3.425 -1.643 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.091 1.103 -0.307 1.00 0.00 C ATOM 494 CE2 PHE A 36 -0.740 3.196 -1.264 1.00 0.00 C ATOM 495 CZ PHE A 36 -1.071 2.033 -0.596 1.00 0.00 C ATOM 0 H PHE A 36 3.234 0.199 -2.509 1.00 0.00 H new ATOM 0 HA PHE A 36 2.799 2.768 -3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.651 2.311 -1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.169 3.827 -1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.978 0.608 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.822 4.335 -2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.346 0.193 0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.504 3.926 -1.490 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.094 1.851 -0.300 1.00 0.00 H new ATOM 505 N GLU A 37 5.182 2.856 -4.568 1.00 0.00 N ATOM 506 CA GLU A 37 6.583 3.029 -4.932 1.00 0.00 C ATOM 507 C GLU A 37 7.127 4.348 -4.389 1.00 0.00 C ATOM 508 O GLU A 37 8.325 4.482 -4.138 1.00 0.00 O ATOM 509 CB GLU A 37 6.748 2.985 -6.453 1.00 0.00 C ATOM 510 CG GLU A 37 6.316 1.667 -7.073 1.00 0.00 C ATOM 511 CD GLU A 37 7.242 0.521 -6.714 1.00 0.00 C ATOM 512 OE1 GLU A 37 7.418 0.259 -5.506 1.00 0.00 O ATOM 513 OE2 GLU A 37 7.790 -0.112 -7.640 1.00 0.00 O ATOM 0 H GLU A 37 4.520 3.180 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 37 7.150 2.211 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.167 3.794 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.793 3.169 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.305 1.429 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.280 1.774 -8.157 1.00 0.00 H new ATOM 520 N LYS A 38 6.238 5.319 -4.211 1.00 0.00 N ATOM 521 CA LYS A 38 6.626 6.627 -3.697 1.00 0.00 C ATOM 522 C LYS A 38 6.704 6.613 -2.174 1.00 0.00 C ATOM 523 O LYS A 38 7.352 7.465 -1.568 1.00 0.00 O ATOM 524 CB LYS A 38 5.631 7.694 -4.158 1.00 0.00 C ATOM 525 CG LYS A 38 5.418 7.720 -5.661 1.00 0.00 C ATOM 526 CD LYS A 38 6.458 8.582 -6.357 1.00 0.00 C ATOM 527 CE LYS A 38 5.966 9.064 -7.713 1.00 0.00 C ATOM 528 NZ LYS A 38 6.839 10.133 -8.272 1.00 0.00 N ATOM 0 H LYS A 38 5.243 5.225 -4.415 1.00 0.00 H new ATOM 0 HA LYS A 38 7.614 6.866 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.673 7.522 -3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.984 8.673 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.464 6.704 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.421 8.102 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.699 9.441 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.378 8.012 -6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.932 8.224 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.947 9.440 -7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.470 10.434 -9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.852 10.945 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.805 9.767 -8.388 1.00 0.00 H new ATOM 542 N ALA A 39 6.040 5.638 -1.562 1.00 0.00 N ATOM 543 CA ALA A 39 6.037 5.511 -0.110 1.00 0.00 C ATOM 544 C ALA A 39 7.455 5.568 0.449 1.00 0.00 C ATOM 545 O ALA A 39 8.235 4.629 0.290 1.00 0.00 O ATOM 546 CB ALA A 39 5.356 4.215 0.305 1.00 0.00 C ATOM 0 H ALA A 39 5.497 4.925 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 39 5.478 6.351 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.361 4.133 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.327 4.213 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.892 3.369 -0.125 1.00 0.00 H new ATOM 552 N THR A 40 7.783 6.677 1.105 1.00 0.00 N ATOM 553 CA THR A 40 9.107 6.858 1.686 1.00 0.00 C ATOM 554 C THR A 40 9.339 5.888 2.839 1.00 0.00 C ATOM 555 O THR A 40 10.478 5.639 3.234 1.00 0.00 O ATOM 556 CB THR A 40 9.306 8.299 2.194 1.00 0.00 C ATOM 557 OG1 THR A 40 8.437 8.551 3.303 1.00 0.00 O ATOM 558 CG2 THR A 40 9.030 9.306 1.088 1.00 0.00 C ATOM 0 H THR A 40 7.149 7.463 1.247 1.00 0.00 H new ATOM 0 HA THR A 40 9.829 6.657 0.895 1.00 0.00 H new ATOM 0 HB THR A 40 10.343 8.409 2.513 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.966 8.615 4.125 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.177 10.316 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.713 9.130 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.002 9.195 0.743 1.00 0.00 H new ATOM 566 N PHE A 41 8.252 5.343 3.375 1.00 0.00 N ATOM 567 CA PHE A 41 8.338 4.399 4.483 1.00 0.00 C ATOM 568 C PHE A 41 6.991 3.724 4.727 1.00 0.00 C ATOM 569 O PHE A 41 5.948 4.378 4.731 1.00 0.00 O ATOM 570 CB PHE A 41 8.800 5.114 5.755 1.00 0.00 C ATOM 571 CG PHE A 41 9.343 4.184 6.802 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.670 3.784 6.771 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.528 3.711 7.817 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.172 2.928 7.732 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.025 2.854 8.782 1.00 0.00 C ATOM 576 CZ PHE A 41 10.349 2.463 8.740 1.00 0.00 C ATOM 0 H PHE A 41 7.302 5.539 3.060 1.00 0.00 H new ATOM 0 HA PHE A 41 9.067 3.633 4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.568 5.843 5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.962 5.670 6.174 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.319 4.146 5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.492 4.015 7.855 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.207 2.622 7.696 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.379 2.491 9.567 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.740 1.795 9.493 1.00 0.00 H new ATOM 586 N ILE A 42 7.023 2.411 4.931 1.00 0.00 N ATOM 587 CA ILE A 42 5.807 1.647 5.176 1.00 0.00 C ATOM 588 C ILE A 42 5.880 0.909 6.509 1.00 0.00 C ATOM 589 O ILE A 42 6.861 0.223 6.798 1.00 0.00 O ATOM 590 CB ILE A 42 5.546 0.627 4.052 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.229 1.351 2.741 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.408 -0.306 4.437 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.095 0.422 1.555 1.00 0.00 C ATOM 0 H ILE A 42 7.878 1.855 4.931 1.00 0.00 H new ATOM 0 HA ILE A 42 4.986 2.363 5.204 1.00 0.00 H new ATOM 0 HB ILE A 42 6.446 0.029 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.302 1.911 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.016 2.077 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.236 -1.021 3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.670 -0.842 5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.502 0.276 4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.870 1.004 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.029 -0.120 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.288 -0.288 1.738 1.00 0.00 H new ATOM 605 N LYS A 43 4.836 1.053 7.317 1.00 0.00 N ATOM 606 CA LYS A 43 4.779 0.398 8.619 1.00 0.00 C ATOM 607 C LYS A 43 3.527 -0.465 8.739 1.00 0.00 C ATOM 608 O LYS A 43 2.423 -0.023 8.422 1.00 0.00 O ATOM 609 CB LYS A 43 4.801 1.441 9.739 1.00 0.00 C ATOM 610 CG LYS A 43 5.208 0.875 11.088 1.00 0.00 C ATOM 611 CD LYS A 43 6.717 0.742 11.205 1.00 0.00 C ATOM 612 CE LYS A 43 7.109 -0.160 12.365 1.00 0.00 C ATOM 613 NZ LYS A 43 8.457 0.177 12.899 1.00 0.00 N ATOM 0 H LYS A 43 4.017 1.618 7.093 1.00 0.00 H new ATOM 0 HA LYS A 43 5.654 -0.246 8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.490 2.240 9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.811 1.890 9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.836 1.522 11.882 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.744 -0.101 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.121 0.338 10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.161 1.728 11.343 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.370 -0.069 13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.098 -1.199 12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.687 -0.460 13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.166 0.066 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.461 1.161 13.236 1.00 0.00 H new ATOM 627 N VAL A 44 3.707 -1.699 9.200 1.00 0.00 N ATOM 628 CA VAL A 44 2.591 -2.624 9.365 1.00 0.00 C ATOM 629 C VAL A 44 2.654 -3.325 10.717 1.00 0.00 C ATOM 630 O VAL A 44 3.407 -4.279 10.914 1.00 0.00 O ATOM 631 CB VAL A 44 2.572 -3.685 8.248 1.00 0.00 C ATOM 632 CG1 VAL A 44 3.912 -4.400 8.168 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.442 -4.677 8.476 1.00 0.00 C ATOM 0 H VAL A 44 4.615 -2.081 9.466 1.00 0.00 H new ATOM 0 HA VAL A 44 1.677 -2.032 9.309 1.00 0.00 H new ATOM 0 HB VAL A 44 2.398 -3.183 7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.880 -5.146 7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.698 -3.676 7.954 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.120 -4.891 9.119 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.443 -5.419 7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.583 -5.175 9.435 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.489 -4.148 8.479 1.00 0.00 H new ATOM 643 N PRO A 45 1.844 -2.844 11.671 1.00 0.00 N ATOM 644 CA PRO A 45 1.789 -3.411 13.022 1.00 0.00 C ATOM 645 C PRO A 45 1.152 -4.796 13.043 1.00 0.00 C ATOM 646 O PRO A 45 0.042 -4.986 12.546 1.00 0.00 O ATOM 647 CB PRO A 45 0.920 -2.412 13.791 1.00 0.00 C ATOM 648 CG PRO A 45 0.076 -1.764 12.748 1.00 0.00 C ATOM 649 CD PRO A 45 0.920 -1.709 11.506 1.00 0.00 C ATOM 0 HA PRO A 45 2.783 -3.548 13.447 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.308 -2.914 14.540 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.531 -1.679 14.318 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.836 -2.335 12.575 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.228 -0.764 13.058 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.316 -1.811 10.605 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.456 -0.763 11.426 1.00 0.00 H new ATOM 657 N GLN A 46 1.861 -5.760 13.622 1.00 0.00 N ATOM 658 CA GLN A 46 1.364 -7.128 13.707 1.00 0.00 C ATOM 659 C GLN A 46 1.371 -7.621 15.151 1.00 0.00 C ATOM 660 O GLN A 46 1.935 -6.976 16.034 1.00 0.00 O ATOM 661 CB GLN A 46 2.211 -8.056 12.835 1.00 0.00 C ATOM 662 CG GLN A 46 2.230 -7.661 11.367 1.00 0.00 C ATOM 663 CD GLN A 46 2.469 -8.843 10.448 1.00 0.00 C ATOM 664 OE1 GLN A 46 2.108 -9.976 10.768 1.00 0.00 O ATOM 665 NE2 GLN A 46 3.080 -8.585 9.298 1.00 0.00 N ATOM 0 H GLN A 46 2.781 -5.619 14.039 1.00 0.00 H new ATOM 0 HA GLN A 46 0.336 -7.138 13.344 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.233 -8.064 13.214 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.830 -9.073 12.924 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.281 -7.191 11.109 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.009 -6.916 11.205 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.362 -7.631 9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.267 -9.341 8.639 1.00 0.00 H new ATOM 726 N LYS A 51 0.162 -11.632 12.900 1.00 0.00 N ATOM 727 CA LYS A 51 -1.040 -11.210 12.191 1.00 0.00 C ATOM 728 C LYS A 51 -1.227 -9.700 12.289 1.00 0.00 C ATOM 729 O LYS A 51 -1.260 -9.139 13.384 1.00 0.00 O ATOM 730 CB LYS A 51 -2.268 -11.926 12.757 1.00 0.00 C ATOM 731 CG LYS A 51 -2.372 -13.381 12.336 1.00 0.00 C ATOM 732 CD LYS A 51 -3.635 -14.029 12.878 1.00 0.00 C ATOM 733 CE LYS A 51 -3.434 -14.543 14.296 1.00 0.00 C ATOM 734 NZ LYS A 51 -4.730 -14.817 14.976 1.00 0.00 N ATOM 0 HA LYS A 51 -0.925 -11.476 11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.240 -11.873 13.845 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.166 -11.398 12.435 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.366 -13.447 11.248 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.499 -13.928 12.693 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.451 -13.306 12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.929 -14.854 12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.837 -15.455 14.270 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.870 -13.809 14.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.550 -15.165 15.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.289 -13.941 15.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.258 -15.536 14.441 1.00 0.00 H new ATOM 748 N SER A 52 -1.353 -9.048 11.137 1.00 0.00 N ATOM 749 CA SER A 52 -1.535 -7.601 11.094 1.00 0.00 C ATOM 750 C SER A 52 -2.781 -7.188 11.871 1.00 0.00 C ATOM 751 O SER A 52 -3.813 -7.857 11.815 1.00 0.00 O ATOM 752 CB SER A 52 -1.641 -7.123 9.645 1.00 0.00 C ATOM 753 OG SER A 52 -1.140 -5.804 9.505 1.00 0.00 O ATOM 0 H SER A 52 -1.332 -9.498 10.222 1.00 0.00 H new ATOM 0 HA SER A 52 -0.667 -7.135 11.560 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.084 -7.798 8.995 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.682 -7.156 9.323 1.00 0.00 H new ATOM 0 HG SER A 52 -1.850 -5.218 9.170 1.00 0.00 H new ATOM 759 N LYS A 53 -2.678 -6.079 12.596 1.00 0.00 N ATOM 760 CA LYS A 53 -3.795 -5.573 13.384 1.00 0.00 C ATOM 761 C LYS A 53 -4.978 -5.221 12.488 1.00 0.00 C ATOM 762 O LYS A 53 -6.089 -5.000 12.968 1.00 0.00 O ATOM 763 CB LYS A 53 -3.365 -4.341 14.185 1.00 0.00 C ATOM 764 CG LYS A 53 -2.054 -4.528 14.929 1.00 0.00 C ATOM 765 CD LYS A 53 -1.985 -3.647 16.165 1.00 0.00 C ATOM 766 CE LYS A 53 -1.135 -4.282 17.255 1.00 0.00 C ATOM 767 NZ LYS A 53 -1.574 -3.863 18.615 1.00 0.00 N ATOM 0 H LYS A 53 -1.831 -5.513 12.654 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.105 -6.358 14.074 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.271 -3.492 13.508 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.148 -4.092 14.902 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.945 -5.573 15.219 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.221 -4.293 14.266 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.570 -2.675 15.898 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.992 -3.470 16.544 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.191 -5.367 17.173 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.091 -4.005 17.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.970 -4.317 19.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.496 -2.830 18.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.563 -4.150 18.764 1.00 0.00 H new ATOM 781 N GLY A 54 -4.732 -5.174 11.182 1.00 0.00 N ATOM 782 CA GLY A 54 -5.787 -4.850 10.240 1.00 0.00 C ATOM 783 C GLY A 54 -5.604 -3.484 9.611 1.00 0.00 C ATOM 784 O GLY A 54 -6.449 -3.029 8.839 1.00 0.00 O ATOM 0 H GLY A 54 -3.821 -5.355 10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.815 -5.607 9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.749 -4.885 10.751 1.00 0.00 H new ATOM 788 N TYR A 55 -4.498 -2.826 9.941 1.00 0.00 N ATOM 789 CA TYR A 55 -4.209 -1.501 9.406 1.00 0.00 C ATOM 790 C TYR A 55 -2.706 -1.298 9.235 1.00 0.00 C ATOM 791 O TYR A 55 -1.903 -2.106 9.701 1.00 0.00 O ATOM 792 CB TYR A 55 -4.778 -0.420 10.327 1.00 0.00 C ATOM 793 CG TYR A 55 -4.648 -0.748 11.798 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.473 -1.692 12.395 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.700 -0.112 12.590 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.358 -1.994 13.738 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.577 -0.408 13.933 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.408 -1.350 14.503 1.00 0.00 C ATOM 799 OH TYR A 55 -4.289 -1.647 15.841 1.00 0.00 O ATOM 0 H TYR A 55 -3.787 -3.189 10.576 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.682 -1.422 8.427 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.267 0.522 10.127 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.831 -0.269 10.089 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.217 -2.199 11.799 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.048 0.627 12.148 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.008 -2.730 14.187 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.834 0.095 14.534 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.572 -1.106 16.234 1.00 0.00 H new ATOM 809 N ALA A 56 -2.335 -0.213 8.564 1.00 0.00 N ATOM 810 CA ALA A 56 -0.929 0.098 8.333 1.00 0.00 C ATOM 811 C ALA A 56 -0.705 1.605 8.266 1.00 0.00 C ATOM 812 O ALA A 56 -1.655 2.387 8.306 1.00 0.00 O ATOM 813 CB ALA A 56 -0.445 -0.567 7.053 1.00 0.00 C ATOM 0 H ALA A 56 -2.988 0.465 8.171 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.353 -0.292 9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.606 -0.326 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.561 -1.647 7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.033 -0.204 6.210 1.00 0.00 H new ATOM 819 N PHE A 57 0.558 2.006 8.163 1.00 0.00 N ATOM 820 CA PHE A 57 0.907 3.420 8.092 1.00 0.00 C ATOM 821 C PHE A 57 1.869 3.685 6.938 1.00 0.00 C ATOM 822 O PHE A 57 3.036 3.294 6.986 1.00 0.00 O ATOM 823 CB PHE A 57 1.535 3.879 9.410 1.00 0.00 C ATOM 824 CG PHE A 57 0.562 3.927 10.553 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.487 4.832 10.550 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.696 3.067 11.631 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.384 4.879 11.600 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.198 3.108 12.684 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.239 4.016 12.669 1.00 0.00 C ATOM 0 H PHE A 57 1.356 1.372 8.127 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.008 3.986 7.917 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.353 3.206 9.667 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.969 4.869 9.271 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.605 5.509 9.717 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.509 2.356 11.649 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.197 5.589 11.585 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.083 2.431 13.518 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.938 4.051 13.491 1.00 0.00 H new ATOM 839 N ILE A 58 1.371 4.351 5.902 1.00 0.00 N ATOM 840 CA ILE A 58 2.186 4.669 4.736 1.00 0.00 C ATOM 841 C ILE A 58 2.735 6.089 4.819 1.00 0.00 C ATOM 842 O ILE A 58 2.000 7.033 5.109 1.00 0.00 O ATOM 843 CB ILE A 58 1.383 4.517 3.430 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.458 3.302 3.513 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.325 4.392 2.241 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.192 1.996 3.725 1.00 0.00 C ATOM 0 H ILE A 58 0.407 4.681 5.846 1.00 0.00 H new ATOM 0 HA ILE A 58 3.015 3.962 4.728 1.00 0.00 H new ATOM 0 HB ILE A 58 0.770 5.408 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.249 3.449 4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.125 3.236 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.743 4.285 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.947 5.285 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.961 3.516 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.473 1.178 3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.879 1.826 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.754 2.042 4.658 1.00 0.00 H new ATOM 858 N GLU A 59 4.031 6.233 4.561 1.00 0.00 N ATOM 859 CA GLU A 59 4.678 7.539 4.607 1.00 0.00 C ATOM 860 C GLU A 59 5.173 7.949 3.223 1.00 0.00 C ATOM 861 O GLU A 59 5.643 7.116 2.447 1.00 0.00 O ATOM 862 CB GLU A 59 5.846 7.521 5.594 1.00 0.00 C ATOM 863 CG GLU A 59 6.202 8.892 6.142 1.00 0.00 C ATOM 864 CD GLU A 59 7.576 8.926 6.782 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.578 8.936 6.035 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.651 8.943 8.028 1.00 0.00 O ATOM 0 H GLU A 59 4.653 5.462 4.318 1.00 0.00 H new ATOM 0 HA GLU A 59 3.941 8.269 4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.598 6.860 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.721 7.098 5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.163 9.623 5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.455 9.190 6.878 1.00 0.00 H new ATOM 873 N PHE A 60 5.064 9.239 2.920 1.00 0.00 N ATOM 874 CA PHE A 60 5.499 9.760 1.629 1.00 0.00 C ATOM 875 C PHE A 60 6.383 10.991 1.810 1.00 0.00 C ATOM 876 O PHE A 60 6.713 11.372 2.933 1.00 0.00 O ATOM 877 CB PHE A 60 4.288 10.111 0.762 1.00 0.00 C ATOM 878 CG PHE A 60 3.410 8.932 0.455 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.566 8.409 1.422 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.428 8.347 -0.801 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.756 7.325 1.142 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.619 7.263 -1.087 1.00 0.00 C ATOM 883 CZ PHE A 60 1.783 6.751 -0.114 1.00 0.00 C ATOM 0 H PHE A 60 4.678 9.942 3.550 1.00 0.00 H new ATOM 0 HA PHE A 60 6.082 8.985 1.130 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.696 10.873 1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.636 10.549 -0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.541 8.854 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.081 8.742 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.103 6.927 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.641 6.817 -2.070 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.151 5.903 -0.335 1.00 0.00 H new ATOM 893 N ALA A 61 6.764 11.607 0.696 1.00 0.00 N ATOM 894 CA ALA A 61 7.608 12.795 0.730 1.00 0.00 C ATOM 895 C ALA A 61 6.794 14.038 1.072 1.00 0.00 C ATOM 896 O ALA A 61 7.321 15.006 1.620 1.00 0.00 O ATOM 897 CB ALA A 61 8.318 12.977 -0.603 1.00 0.00 C ATOM 0 H ALA A 61 6.501 11.303 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 61 8.355 12.656 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.945 13.868 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.940 12.105 -0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.579 13.089 -1.397 1.00 0.00 H new ATOM 903 N SER A 62 5.506 14.004 0.744 1.00 0.00 N ATOM 904 CA SER A 62 4.619 15.130 1.012 1.00 0.00 C ATOM 905 C SER A 62 3.180 14.790 0.637 1.00 0.00 C ATOM 906 O SER A 62 2.882 13.667 0.230 1.00 0.00 O ATOM 907 CB SER A 62 5.082 16.366 0.238 1.00 0.00 C ATOM 908 OG SER A 62 6.019 17.118 0.990 1.00 0.00 O ATOM 0 H SER A 62 5.054 13.209 0.292 1.00 0.00 H new ATOM 0 HA SER A 62 4.656 15.344 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.531 16.060 -0.707 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.222 16.990 -0.005 1.00 0.00 H new ATOM 0 HG SER A 62 6.763 16.539 1.258 1.00 0.00 H new ATOM 914 N PHE A 63 2.292 15.768 0.777 1.00 0.00 N ATOM 915 CA PHE A 63 0.883 15.574 0.454 1.00 0.00 C ATOM 916 C PHE A 63 0.700 15.294 -1.035 1.00 0.00 C ATOM 917 O PHE A 63 -0.403 14.992 -1.488 1.00 0.00 O ATOM 918 CB PHE A 63 0.071 16.806 0.857 1.00 0.00 C ATOM 919 CG PHE A 63 -1.257 16.903 0.161 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.331 16.135 0.581 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.430 17.762 -0.912 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.554 16.222 -0.058 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.651 17.853 -1.555 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.714 17.082 -1.127 1.00 0.00 C ATOM 0 H PHE A 63 2.523 16.703 1.112 1.00 0.00 H new ATOM 0 HA PHE A 63 0.523 14.711 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.093 16.787 1.934 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.653 17.702 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.212 15.461 1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.602 18.367 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.384 15.618 0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.773 18.526 -2.391 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.669 17.151 -1.627 1.00 0.00 H new ATOM 934 N GLU A 64 1.790 15.398 -1.789 1.00 0.00 N ATOM 935 CA GLU A 64 1.749 15.158 -3.226 1.00 0.00 C ATOM 936 C GLU A 64 1.799 13.664 -3.530 1.00 0.00 C ATOM 937 O GLU A 64 0.836 13.091 -4.040 1.00 0.00 O ATOM 938 CB GLU A 64 2.914 15.870 -3.918 1.00 0.00 C ATOM 939 CG GLU A 64 2.573 17.271 -4.397 1.00 0.00 C ATOM 940 CD GLU A 64 3.401 17.695 -5.595 1.00 0.00 C ATOM 941 OE1 GLU A 64 4.601 17.989 -5.414 1.00 0.00 O ATOM 942 OE2 GLU A 64 2.847 17.733 -6.714 1.00 0.00 O ATOM 0 H GLU A 64 2.711 15.647 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 64 0.810 15.557 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.756 15.926 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.239 15.273 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.515 17.315 -4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.731 17.978 -3.582 1.00 0.00 H new ATOM 949 N ASP A 65 2.928 13.039 -3.214 1.00 0.00 N ATOM 950 CA ASP A 65 3.104 11.612 -3.452 1.00 0.00 C ATOM 951 C ASP A 65 2.036 10.803 -2.723 1.00 0.00 C ATOM 952 O ASP A 65 1.568 9.780 -3.223 1.00 0.00 O ATOM 953 CB ASP A 65 4.496 11.166 -3.000 1.00 0.00 C ATOM 954 CG ASP A 65 5.590 11.649 -3.933 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.504 11.364 -5.146 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.530 12.313 -3.449 1.00 0.00 O ATOM 0 H ASP A 65 3.735 13.499 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 65 3.002 11.432 -4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.687 11.543 -1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.525 10.078 -2.943 1.00 0.00 H new ATOM 961 N ALA A 66 1.656 11.268 -1.537 1.00 0.00 N ATOM 962 CA ALA A 66 0.642 10.588 -0.740 1.00 0.00 C ATOM 963 C ALA A 66 -0.698 10.558 -1.466 1.00 0.00 C ATOM 964 O ALA A 66 -1.289 9.495 -1.657 1.00 0.00 O ATOM 965 CB ALA A 66 0.496 11.265 0.615 1.00 0.00 C ATOM 0 H ALA A 66 2.035 12.112 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 66 0.965 9.558 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.264 10.748 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.448 11.229 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.199 12.304 0.472 1.00 0.00 H new ATOM 971 N LYS A 67 -1.175 11.731 -1.868 1.00 0.00 N ATOM 972 CA LYS A 67 -2.446 11.840 -2.573 1.00 0.00 C ATOM 973 C LYS A 67 -2.395 11.097 -3.904 1.00 0.00 C ATOM 974 O LYS A 67 -3.405 10.572 -4.371 1.00 0.00 O ATOM 975 CB LYS A 67 -2.797 13.311 -2.811 1.00 0.00 C ATOM 976 CG LYS A 67 -4.084 13.510 -3.592 1.00 0.00 C ATOM 977 CD LYS A 67 -5.306 13.234 -2.731 1.00 0.00 C ATOM 978 CE LYS A 67 -5.742 14.475 -1.968 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.436 15.454 -2.850 1.00 0.00 N ATOM 0 H LYS A 67 -0.699 12.621 -1.717 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.217 11.385 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.884 13.815 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.978 13.789 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.127 14.531 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.091 12.849 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.125 12.886 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.083 12.432 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.406 14.186 -1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.870 14.948 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.879 16.193 -2.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.747 15.889 -3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.168 14.965 -3.404 1.00 0.00 H new ATOM 993 N GLU A 68 -1.212 11.056 -4.509 1.00 0.00 N ATOM 994 CA GLU A 68 -1.030 10.376 -5.786 1.00 0.00 C ATOM 995 C GLU A 68 -1.371 8.893 -5.666 1.00 0.00 C ATOM 996 O GLU A 68 -2.018 8.321 -6.543 1.00 0.00 O ATOM 997 CB GLU A 68 0.409 10.542 -6.278 1.00 0.00 C ATOM 998 CG GLU A 68 0.803 9.546 -7.356 1.00 0.00 C ATOM 999 CD GLU A 68 1.904 10.068 -8.258 1.00 0.00 C ATOM 1000 OE1 GLU A 68 2.835 10.721 -7.742 1.00 0.00 O ATOM 1001 OE2 GLU A 68 1.834 9.823 -9.481 1.00 0.00 O ATOM 0 H GLU A 68 -0.366 11.486 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.707 10.830 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.537 11.553 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.088 10.436 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.132 8.619 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.072 9.304 -7.959 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.930 8.277 -4.574 1.00 0.00 N ATOM 1009 CA ALA A 69 -1.188 6.862 -4.338 1.00 0.00 C ATOM 1010 C ALA A 69 -2.531 6.658 -3.644 1.00 0.00 C ATOM 1011 O ALA A 69 -3.219 5.664 -3.881 1.00 0.00 O ATOM 1012 CB ALA A 69 -0.067 6.252 -3.512 1.00 0.00 C ATOM 0 H ALA A 69 -0.392 8.736 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.227 6.359 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.273 5.195 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.877 6.357 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.000 6.766 -2.553 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.898 7.604 -2.787 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.159 7.527 -2.057 1.00 0.00 C ATOM 1020 C LEU A 70 -5.346 7.563 -3.015 1.00 0.00 C ATOM 1021 O LEU A 70 -6.416 7.039 -2.712 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.263 8.680 -1.056 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.678 9.141 -0.709 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.423 8.054 0.050 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.635 10.428 0.103 1.00 0.00 C ATOM 0 H LEU A 70 -2.341 8.433 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.180 6.581 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.764 8.381 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.712 9.532 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.213 9.338 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.429 8.401 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.485 7.157 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.890 7.824 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.651 10.742 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.082 10.257 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.141 11.208 -0.477 1.00 0.00 H new ATOM 1037 N ASN A 71 -5.146 8.183 -4.174 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.199 8.285 -5.178 1.00 0.00 C ATOM 1039 C ASN A 71 -6.252 7.028 -6.041 1.00 0.00 C ATOM 1040 O ASN A 71 -7.317 6.631 -6.514 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.973 9.514 -6.060 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.425 10.798 -5.391 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.396 10.808 -4.635 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.720 11.889 -5.667 1.00 0.00 N ATOM 0 H ASN A 71 -4.265 8.622 -4.441 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.152 8.388 -4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.914 9.590 -6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.512 9.388 -6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.976 12.782 -5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.922 11.834 -6.300 1.00 0.00 H new ATOM 1051 N SER A 72 -5.094 6.405 -6.241 1.00 0.00 N ATOM 1052 CA SER A 72 -5.008 5.195 -7.049 1.00 0.00 C ATOM 1053 C SER A 72 -5.121 3.949 -6.176 1.00 0.00 C ATOM 1054 O SER A 72 -6.098 3.205 -6.261 1.00 0.00 O ATOM 1055 CB SER A 72 -3.690 5.169 -7.827 1.00 0.00 C ATOM 1056 OG SER A 72 -2.609 5.589 -7.013 1.00 0.00 O ATOM 0 H SER A 72 -4.204 6.719 -5.855 1.00 0.00 H new ATOM 0 HA SER A 72 -5.839 5.199 -7.755 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.501 4.161 -8.196 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.766 5.818 -8.699 1.00 0.00 H new ATOM 0 HG SER A 72 -2.572 6.568 -6.998 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.114 3.729 -5.338 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.098 2.572 -4.449 1.00 0.00 C ATOM 1064 C CYS A 73 -5.440 2.413 -3.740 1.00 0.00 C ATOM 1065 O CYS A 73 -5.811 1.314 -3.332 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.977 2.711 -3.418 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.343 2.993 -4.139 1.00 0.00 S ATOM 0 H CYS A 73 -3.298 4.336 -5.255 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.918 1.683 -5.053 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.214 3.537 -2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.943 1.807 -2.810 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.447 2.995 -3.197 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.162 3.520 -3.597 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.462 3.504 -2.935 1.00 0.00 C ATOM 1075 C ASN A 74 -8.195 2.194 -3.208 1.00 0.00 C ATOM 1076 O ASN A 74 -8.428 1.828 -4.361 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.312 4.685 -3.407 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.275 5.167 -2.339 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.469 5.327 -2.591 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.758 5.401 -1.138 1.00 0.00 N ATOM 0 H ASN A 74 -5.869 4.439 -3.930 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.297 3.590 -1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.658 5.506 -3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.874 4.393 -4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.357 5.727 -0.380 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.762 5.255 -0.974 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.557 1.491 -2.140 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.266 0.223 -2.263 1.00 0.00 C ATOM 1089 C LYS A 75 -8.490 -0.751 -3.144 1.00 0.00 C ATOM 1090 O LYS A 75 -9.030 -1.296 -4.107 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.663 0.450 -2.843 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.523 1.384 -2.009 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.866 1.645 -2.671 1.00 0.00 C ATOM 1094 CE LYS A 75 -12.808 2.857 -3.590 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.168 3.333 -3.965 1.00 0.00 N ATOM 0 H LYS A 75 -8.371 1.778 -1.179 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.359 -0.210 -1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.568 0.859 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.169 -0.511 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.681 0.950 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.999 2.328 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.168 0.767 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.626 1.803 -1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.265 3.662 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.250 2.603 -4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.086 4.159 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.678 2.573 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.691 3.599 -3.107 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.222 -0.966 -2.808 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.373 -1.874 -3.569 1.00 0.00 C ATOM 1111 C ARG A 76 -6.586 -3.318 -3.125 1.00 0.00 C ATOM 1112 O ARG A 76 -6.415 -3.648 -1.952 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.902 -1.490 -3.403 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.937 -2.507 -3.992 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.647 -2.216 -5.456 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.374 -2.789 -5.886 1.00 0.00 N ATOM 1117 CZ ARG A 76 -1.678 -2.337 -6.923 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.128 -1.310 -7.631 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.528 -2.911 -7.252 1.00 0.00 N ATOM 0 H ARG A 76 -6.760 -0.523 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.647 -1.791 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.732 -0.523 -3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.685 -1.367 -2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.005 -2.496 -3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.357 -3.508 -3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.452 -2.618 -6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.631 -1.138 -5.615 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.999 -3.579 -5.361 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.011 -0.865 -7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.591 -0.965 -8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.178 -3.700 -6.708 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.006 -2.563 -8.049 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.962 -4.174 -4.071 1.00 0.00 N ATOM 1134 CA GLU A 77 -7.200 -5.582 -3.775 1.00 0.00 C ATOM 1135 C GLU A 77 -5.886 -6.313 -3.517 1.00 0.00 C ATOM 1136 O GLU A 77 -5.120 -6.580 -4.443 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.949 -6.248 -4.931 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.461 -6.162 -4.807 1.00 0.00 C ATOM 1139 CD GLU A 77 -10.160 -6.196 -6.152 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -10.047 -7.225 -6.852 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.818 -5.196 -6.505 1.00 0.00 O ATOM 0 H GLU A 77 -7.108 -3.917 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.811 -5.640 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.643 -5.782 -5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.657 -7.297 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.819 -6.990 -4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.727 -5.242 -4.287 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.632 -6.634 -2.253 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.412 -7.334 -1.873 1.00 0.00 C ATOM 1150 C ILE A 78 -4.729 -8.615 -1.108 1.00 0.00 C ATOM 1151 O ILE A 78 -5.487 -8.598 -0.139 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.499 -6.445 -1.008 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -3.117 -5.175 -1.770 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -2.254 -7.213 -0.590 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -2.119 -4.307 -1.036 1.00 0.00 C ATOM 0 H ILE A 78 -6.255 -6.420 -1.475 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.891 -7.585 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.043 -6.157 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.701 -5.453 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.018 -4.593 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.619 -6.571 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.545 -8.091 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.705 -7.528 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.894 -3.425 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.540 -3.998 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.203 -4.872 -0.864 1.00 0.00 H new ATOM 1167 N GLU A 79 -4.141 -9.722 -1.549 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.360 -11.012 -0.905 1.00 0.00 C ATOM 1169 C GLU A 79 -5.842 -11.377 -0.909 1.00 0.00 C ATOM 1170 O GLU A 79 -6.308 -12.136 -0.060 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.835 -10.985 0.532 1.00 0.00 C ATOM 1172 CG GLU A 79 -2.321 -11.067 0.628 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.740 -12.167 -0.239 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.227 -13.313 -0.150 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.797 -11.881 -1.007 1.00 0.00 O ATOM 0 H GLU A 79 -3.509 -9.752 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.815 -11.768 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.172 -10.068 1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.271 -11.817 1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.890 -10.111 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.035 -11.238 1.666 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.577 -10.831 -1.873 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.998 -11.110 -1.970 1.00 0.00 C ATOM 1184 C GLY A 80 -8.833 -10.169 -1.124 1.00 0.00 C ATOM 1185 O GLY A 80 -10.062 -10.185 -1.195 1.00 0.00 O ATOM 0 H GLY A 80 -6.214 -10.201 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.310 -11.031 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.186 -12.137 -1.658 1.00 0.00 H new ATOM 1189 N ARG A 81 -8.165 -9.349 -0.319 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.854 -8.400 0.546 1.00 0.00 C ATOM 1191 C ARG A 81 -8.565 -6.964 0.118 1.00 0.00 C ATOM 1192 O ARG A 81 -7.408 -6.561 0.003 1.00 0.00 O ATOM 1193 CB ARG A 81 -8.430 -8.604 2.002 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.675 -10.013 2.516 1.00 0.00 C ATOM 1195 CD ARG A 81 -7.470 -10.910 2.278 1.00 0.00 C ATOM 1196 NE ARG A 81 -7.856 -12.305 2.086 1.00 0.00 N ATOM 1197 CZ ARG A 81 -7.009 -13.323 2.195 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -5.736 -13.103 2.493 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -7.436 -14.566 2.006 1.00 0.00 N ATOM 0 H ARG A 81 -7.148 -9.323 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.926 -8.578 0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.370 -8.370 2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.971 -7.898 2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.900 -9.979 3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.548 -10.436 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.925 -10.560 1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.789 -10.836 3.126 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.828 -12.509 1.856 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.404 -12.150 2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.089 -13.887 2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.415 -14.740 1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.785 -15.347 2.090 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.625 -6.198 -0.119 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.485 -4.807 -0.533 1.00 0.00 C ATOM 1215 C ALA A 82 -8.910 -3.954 0.592 1.00 0.00 C ATOM 1216 O ALA A 82 -9.270 -4.123 1.758 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.828 -4.254 -0.985 1.00 0.00 C ATOM 0 H ALA A 82 -10.590 -6.517 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.789 -4.771 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.709 -3.215 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.198 -4.840 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.540 -4.310 -0.162 1.00 0.00 H new ATOM 1223 N ILE A 83 -8.014 -3.039 0.237 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.390 -2.160 1.217 1.00 0.00 C ATOM 1225 C ILE A 83 -7.702 -0.697 0.921 1.00 0.00 C ATOM 1226 O ILE A 83 -7.446 -0.207 -0.179 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.862 -2.350 1.253 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.223 -1.748 0.000 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.515 -3.826 1.374 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.847 -0.291 0.155 1.00 0.00 C ATOM 0 H ILE A 83 -7.704 -2.887 -0.723 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.804 -2.428 2.189 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.466 -1.831 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.331 -2.320 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.915 -1.849 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.432 -3.944 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.944 -4.227 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.920 -4.366 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.400 0.070 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.740 0.293 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.130 -0.185 0.969 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.256 -0.004 1.911 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.603 1.404 1.757 1.00 0.00 C ATOM 1244 C ARG A 84 -7.555 2.297 2.415 1.00 0.00 C ATOM 1245 O ARG A 84 -6.910 1.902 3.387 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.979 1.682 2.364 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.576 3.013 1.937 1.00 0.00 C ATOM 1248 CD ARG A 84 -12.093 3.004 2.043 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.550 3.338 3.388 1.00 0.00 N ATOM 1250 CZ ARG A 84 -12.452 4.553 3.917 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -11.915 5.543 3.217 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -12.891 4.780 5.149 1.00 0.00 N ATOM 0 H ARG A 84 -8.474 -0.394 2.828 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.632 1.631 0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.661 0.880 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.898 1.662 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.172 3.811 2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.283 3.231 0.910 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.510 3.716 1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.470 2.019 1.766 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.967 2.598 3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.576 5.373 2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.841 6.475 3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.304 4.021 5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.815 5.713 5.554 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.391 3.501 1.879 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.422 4.451 2.414 1.00 0.00 C ATOM 1268 C LEU A 85 -7.103 5.754 2.822 1.00 0.00 C ATOM 1269 O LEU A 85 -7.931 6.288 2.085 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.332 4.735 1.379 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.521 3.526 0.909 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.028 3.735 -0.514 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.352 3.270 1.849 1.00 0.00 C ATOM 0 H LEU A 85 -7.916 3.843 1.074 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.968 4.008 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.797 5.196 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.643 5.469 1.798 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.170 2.650 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.453 2.865 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.881 3.868 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.395 4.622 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.786 2.406 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.703 4.145 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.729 3.075 2.853 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.746 6.259 3.998 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.322 7.500 4.502 1.00 0.00 C ATOM 1287 C GLU A 86 -6.252 8.373 5.151 1.00 0.00 C ATOM 1288 O GLU A 86 -5.469 7.904 5.978 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.432 7.200 5.512 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.811 7.084 4.885 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.911 6.934 5.918 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.813 6.019 6.761 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.870 7.734 5.882 1.00 0.00 O ATOM 0 H GLU A 86 -6.061 5.828 4.619 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.746 8.043 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.198 6.270 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.450 7.988 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.006 7.968 4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.829 6.226 4.213 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.224 9.645 4.769 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.250 10.586 5.312 1.00 0.00 C ATOM 1302 C LEU A 87 -5.402 10.715 6.824 1.00 0.00 C ATOM 1303 O LEU A 87 -6.480 11.036 7.323 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.412 11.956 4.653 1.00 0.00 C ATOM 1305 CG LEU A 87 -5.122 12.018 3.153 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.524 13.371 2.587 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.650 11.741 2.882 1.00 0.00 C ATOM 0 H LEU A 87 -6.864 10.049 4.085 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.253 10.202 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.433 12.299 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.753 12.661 5.160 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.713 11.249 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.310 13.396 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.590 13.530 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.960 14.157 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.462 11.789 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.040 12.487 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.393 10.748 3.251 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.315 10.465 7.547 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.328 10.555 9.002 1.00 0.00 C ATOM 1321 C GLN A 88 -4.554 11.993 9.456 1.00 0.00 C ATOM 1322 O GLN A 88 -4.247 12.939 8.732 1.00 0.00 O ATOM 1323 CB GLN A 88 -3.014 10.026 9.579 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.156 9.429 10.970 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.871 9.504 11.771 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.684 10.412 12.582 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.977 8.548 11.548 1.00 0.00 N ATOM 0 H GLN A 88 -3.414 10.199 7.149 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.151 9.943 9.371 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.611 9.268 8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.289 10.839 9.614 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.946 9.954 11.508 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.466 8.388 10.884 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.174 7.815 10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.094 8.547 12.058 1.00 0.00 H new