USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 634 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 90 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.074) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 TYR OH : rot -19:sc= 0.337 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -2.42 K(o=-2.1,f=-2.9!) USER MOD Set 3.1: A 57 HIS : no HE2:sc= -6.41! C(o=-6.4!,f=-7.5!) USER MOD Set 3.2: A 59 TYR OH : rot 180:sc= -0.0101 USER MOD Set 4.1: A 28 CYS SG : rot 130:sc= -0.288 USER MOD Set 4.2: A 31 CYS SG : rot -53:sc= -1.1 USER MOD Set 4.3: A 60 HIS : no HE2:sc= -0.39 X(o=-3,f=-3.3) USER MOD Set 4.4: A 63 CYS SG : rot -173:sc= -1.25 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 11:sc= 0.397 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= -0.159 (180deg=-0.687) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -130:sc= 0.702 (180deg=-1.11!) USER MOD Single : A 39 SER OG : rot -102:sc= 0.697 USER MOD Single : A 42 MET CE :methyl -140:sc= -1.64 (180deg=-2.98) USER MOD Single : A 45 MET CE :methyl 153:sc= -0.104 (180deg=-1.26) USER MOD Single : A 47 GLN : amide:sc= -0.0402 K(o=-0.04,f=-1.8!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.22 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.768 K(o=-0.77,f=-0.11) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.04 K(o=-0.04,f=-0.75) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 93:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 15 2.095 10.238 -2.397 1.00 0.00 N ATOM 165 CA LEU A 15 0.646 10.262 -2.227 1.00 0.00 C ATOM 166 C LEU A 15 0.130 8.905 -1.758 1.00 0.00 C ATOM 167 O LEU A 15 -0.647 8.821 -0.806 1.00 0.00 O ATOM 168 CB LEU A 15 -0.035 10.652 -3.541 1.00 0.00 C ATOM 169 CG LEU A 15 -0.045 12.145 -3.874 1.00 0.00 C ATOM 170 CD1 LEU A 15 -0.315 12.359 -5.355 1.00 0.00 C ATOM 171 CD2 LEU A 15 -1.081 12.872 -3.030 1.00 0.00 C ATOM 0 HA LEU A 15 0.407 11.004 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.460 10.122 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.066 10.300 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 15 0.937 12.557 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.319 13.427 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.464 11.871 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.284 11.933 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.074 13.933 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.069 12.458 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.843 12.747 -1.974 1.00 0.00 H new ATOM 183 N TYR A 16 0.569 7.847 -2.429 1.00 0.00 N ATOM 184 CA TYR A 16 0.151 6.494 -2.081 1.00 0.00 C ATOM 185 C TYR A 16 1.294 5.723 -1.427 1.00 0.00 C ATOM 186 O TYR A 16 2.467 6.008 -1.667 1.00 0.00 O ATOM 187 CB TYR A 16 -0.334 5.751 -3.327 1.00 0.00 C ATOM 188 CG TYR A 16 -1.328 6.536 -4.152 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.660 6.629 -3.768 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.934 7.187 -5.315 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.572 7.345 -4.519 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.839 7.906 -6.072 1.00 0.00 C ATOM 193 CZ TYR A 16 -3.156 7.982 -5.670 1.00 0.00 C ATOM 194 OH TYR A 16 -4.061 8.697 -6.421 1.00 0.00 O ATOM 0 H TYR A 16 1.214 7.900 -3.217 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.670 6.566 -1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.526 5.503 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.790 4.809 -3.023 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.988 6.133 -2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.097 7.130 -5.632 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.604 7.406 -4.207 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.517 8.406 -6.974 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.971 8.416 -6.191 1.00 0.00 H new ATOM 204 N ARG A 17 0.941 4.743 -0.601 1.00 0.00 N ATOM 205 CA ARG A 17 1.936 3.930 0.089 1.00 0.00 C ATOM 206 C ARG A 17 1.371 2.554 0.429 1.00 0.00 C ATOM 207 O ARG A 17 0.538 2.417 1.325 1.00 0.00 O ATOM 208 CB ARG A 17 2.403 4.632 1.365 1.00 0.00 C ATOM 209 CG ARG A 17 3.268 3.758 2.258 1.00 0.00 C ATOM 210 CD ARG A 17 3.635 4.472 3.550 1.00 0.00 C ATOM 211 NE ARG A 17 4.492 3.654 4.403 1.00 0.00 N ATOM 212 CZ ARG A 17 4.802 3.972 5.655 1.00 0.00 C ATOM 213 NH1 ARG A 17 4.326 5.085 6.197 1.00 0.00 N ATOM 214 NH2 ARG A 17 5.588 3.176 6.369 1.00 0.00 N ATOM 0 H ARG A 17 -0.026 4.493 -0.393 1.00 0.00 H new ATOM 0 HA ARG A 17 2.789 3.799 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.963 5.527 1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.530 4.962 1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.737 2.835 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.177 3.478 1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.144 5.407 3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.725 4.731 4.092 1.00 0.00 H new ATOM 0 HE ARG A 17 4.874 2.791 4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.720 5.699 5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.565 5.327 7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.955 2.318 5.957 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.825 3.422 7.330 1.00 0.00 H new ATOM 228 N VAL A 18 1.832 1.536 -0.292 1.00 0.00 N ATOM 229 CA VAL A 18 1.373 0.171 -0.066 1.00 0.00 C ATOM 230 C VAL A 18 2.380 -0.616 0.766 1.00 0.00 C ATOM 231 O VAL A 18 3.589 -0.452 0.613 1.00 0.00 O ATOM 232 CB VAL A 18 1.135 -0.568 -1.396 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.427 -0.664 -2.193 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.554 -1.951 -1.141 1.00 0.00 C ATOM 0 H VAL A 18 2.522 1.631 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 18 0.431 0.239 0.477 1.00 0.00 H new ATOM 0 HB VAL A 18 0.415 0.002 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.239 -1.189 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.798 0.338 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.172 -1.210 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.392 -2.459 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.249 -2.531 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.396 -1.855 -0.615 1.00 0.00 H new ATOM 244 N GLU A 19 1.870 -1.471 1.648 1.00 0.00 N ATOM 245 CA GLU A 19 2.725 -2.283 2.505 1.00 0.00 C ATOM 246 C GLU A 19 1.905 -3.322 3.265 1.00 0.00 C ATOM 247 O GLU A 19 0.688 -3.192 3.397 1.00 0.00 O ATOM 248 CB GLU A 19 3.485 -1.395 3.494 1.00 0.00 C ATOM 249 CG GLU A 19 2.610 -0.829 4.600 1.00 0.00 C ATOM 250 CD GLU A 19 3.388 0.033 5.575 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.439 0.579 5.178 1.00 0.00 O ATOM 252 OE2 GLU A 19 2.945 0.163 6.735 1.00 0.00 O ATOM 0 H GLU A 19 0.870 -1.619 1.787 1.00 0.00 H new ATOM 0 HA GLU A 19 3.442 -2.804 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.293 -1.973 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.946 -0.571 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.808 -0.238 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.139 -1.649 5.142 1.00 0.00 H new ATOM 259 N TYR A 20 2.581 -4.352 3.761 1.00 0.00 N ATOM 260 CA TYR A 20 1.915 -5.416 4.504 1.00 0.00 C ATOM 261 C TYR A 20 1.467 -4.922 5.877 1.00 0.00 C ATOM 262 O TYR A 20 2.289 -4.671 6.757 1.00 0.00 O ATOM 263 CB TYR A 20 2.848 -6.617 4.662 1.00 0.00 C ATOM 264 CG TYR A 20 3.353 -7.168 3.347 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.468 -7.571 2.355 1.00 0.00 C ATOM 266 CD2 TYR A 20 4.715 -7.287 3.098 1.00 0.00 C ATOM 267 CE1 TYR A 20 2.925 -8.076 1.152 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.180 -7.789 1.899 1.00 0.00 C ATOM 269 CZ TYR A 20 4.282 -8.182 0.929 1.00 0.00 C ATOM 270 OH TYR A 20 4.741 -8.684 -0.267 1.00 0.00 O ATOM 0 H TYR A 20 3.589 -4.473 3.662 1.00 0.00 H new ATOM 0 HA TYR A 20 1.033 -5.721 3.941 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.700 -6.326 5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.323 -7.406 5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.405 -7.488 2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.422 -6.982 3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.224 -8.386 0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.242 -7.874 1.722 1.00 0.00 H new ATOM 0 HH TYR A 20 5.721 -8.691 -0.264 1.00 0.00 H new ATOM 280 N ALA A 21 0.156 -4.788 6.050 1.00 0.00 N ATOM 281 CA ALA A 21 -0.404 -4.328 7.315 1.00 0.00 C ATOM 282 C ALA A 21 0.413 -4.841 8.496 1.00 0.00 C ATOM 283 O ALA A 21 0.472 -6.045 8.747 1.00 0.00 O ATOM 284 CB ALA A 21 -1.854 -4.769 7.442 1.00 0.00 C ATOM 0 H ALA A 21 -0.538 -4.991 5.330 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.365 -3.239 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.259 -4.419 8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.436 -4.348 6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.908 -5.857 7.404 1.00 0.00 H new ATOM 290 N LYS A 22 1.043 -3.921 9.218 1.00 0.00 N ATOM 291 CA LYS A 22 1.856 -4.280 10.374 1.00 0.00 C ATOM 292 C LYS A 22 1.002 -4.920 11.463 1.00 0.00 C ATOM 293 O LYS A 22 1.437 -5.853 12.139 1.00 0.00 O ATOM 294 CB LYS A 22 2.566 -3.042 10.928 1.00 0.00 C ATOM 295 CG LYS A 22 3.590 -3.359 12.004 1.00 0.00 C ATOM 296 CD LYS A 22 4.955 -3.652 11.405 1.00 0.00 C ATOM 297 CE LYS A 22 5.978 -3.982 12.481 1.00 0.00 C ATOM 298 NZ LYS A 22 5.997 -5.437 12.801 1.00 0.00 N ATOM 0 H LYS A 22 1.006 -2.920 9.023 1.00 0.00 H new ATOM 0 HA LYS A 22 2.603 -5.005 10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.061 -2.521 10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.821 -2.359 11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.667 -2.518 12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.255 -4.218 12.585 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.876 -4.487 10.709 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.294 -2.789 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.968 -3.670 12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.752 -3.415 13.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.707 -5.621 13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.059 -5.730 13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.238 -5.977 11.946 1.00 0.00 H new ATOM 312 N SER A 23 -0.216 -4.413 11.628 1.00 0.00 N ATOM 313 CA SER A 23 -1.130 -4.934 12.637 1.00 0.00 C ATOM 314 C SER A 23 -2.581 -4.710 12.223 1.00 0.00 C ATOM 315 O SER A 23 -2.886 -3.799 11.454 1.00 0.00 O ATOM 316 CB SER A 23 -0.865 -4.268 13.989 1.00 0.00 C ATOM 317 OG SER A 23 0.299 -4.797 14.599 1.00 0.00 O ATOM 0 H SER A 23 -0.592 -3.642 11.076 1.00 0.00 H new ATOM 0 HA SER A 23 -0.958 -6.006 12.728 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.751 -3.193 13.852 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.723 -4.416 14.645 1.00 0.00 H new ATOM 0 HG SER A 23 0.787 -5.347 13.951 1.00 0.00 H new ATOM 323 N GLY A 24 -3.474 -5.549 12.739 1.00 0.00 N ATOM 324 CA GLY A 24 -4.883 -5.427 12.412 1.00 0.00 C ATOM 325 C GLY A 24 -5.556 -4.294 13.161 1.00 0.00 C ATOM 326 O GLY A 24 -6.477 -4.521 13.946 1.00 0.00 O ATOM 0 H GLY A 24 -3.247 -6.311 13.378 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.991 -5.264 11.340 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.389 -6.364 12.645 1.00 0.00 H new ATOM 330 N ARG A 25 -5.095 -3.071 12.919 1.00 0.00 N ATOM 331 CA ARG A 25 -5.657 -1.899 13.579 1.00 0.00 C ATOM 332 C ARG A 25 -5.961 -0.799 12.566 1.00 0.00 C ATOM 333 O ARG A 25 -5.746 0.383 12.835 1.00 0.00 O ATOM 334 CB ARG A 25 -4.692 -1.375 14.643 1.00 0.00 C ATOM 335 CG ARG A 25 -3.414 -0.783 14.069 1.00 0.00 C ATOM 336 CD ARG A 25 -2.786 0.218 15.025 1.00 0.00 C ATOM 337 NE ARG A 25 -1.835 -0.416 15.935 1.00 0.00 N ATOM 338 CZ ARG A 25 -1.520 0.076 17.128 1.00 0.00 C ATOM 339 NH1 ARG A 25 -2.078 1.202 17.553 1.00 0.00 N ATOM 340 NH2 ARG A 25 -0.647 -0.558 17.899 1.00 0.00 N ATOM 0 H ARG A 25 -4.334 -2.866 12.271 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.590 -2.195 14.059 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.199 -0.615 15.238 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.433 -2.190 15.319 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.704 -1.583 13.859 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.633 -0.294 13.120 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.278 0.995 14.454 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.570 0.708 15.603 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.389 -1.284 15.638 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.751 1.692 16.963 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.834 1.578 18.469 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.216 -1.425 17.576 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.406 -0.179 18.815 1.00 0.00 H new ATOM 354 N ALA A 26 -6.461 -1.196 11.401 1.00 0.00 N ATOM 355 CA ALA A 26 -6.795 -0.244 10.349 1.00 0.00 C ATOM 356 C ALA A 26 -8.131 -0.590 9.700 1.00 0.00 C ATOM 357 O ALA A 26 -8.398 -1.750 9.386 1.00 0.00 O ATOM 358 CB ALA A 26 -5.692 -0.206 9.301 1.00 0.00 C ATOM 0 H ALA A 26 -6.644 -2.171 11.162 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.885 0.743 10.802 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.955 0.509 8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.755 0.096 9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.575 -1.196 8.860 1.00 0.00 H new ATOM 364 N SER A 27 -8.968 0.424 9.502 1.00 0.00 N ATOM 365 CA SER A 27 -10.279 0.226 8.894 1.00 0.00 C ATOM 366 C SER A 27 -10.278 0.687 7.440 1.00 0.00 C ATOM 367 O SER A 27 -9.340 1.340 6.983 1.00 0.00 O ATOM 368 CB SER A 27 -11.349 0.985 9.681 1.00 0.00 C ATOM 369 OG SER A 27 -11.402 0.542 11.027 1.00 0.00 O ATOM 0 H SER A 27 -8.762 1.391 9.754 1.00 0.00 H new ATOM 0 HA SER A 27 -10.507 -0.840 8.919 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.135 2.053 9.655 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.321 0.843 9.209 1.00 0.00 H new ATOM 0 HG SER A 27 -12.092 1.043 11.509 1.00 0.00 H new ATOM 375 N CYS A 28 -11.338 0.341 6.716 1.00 0.00 N ATOM 376 CA CYS A 28 -11.462 0.718 5.313 1.00 0.00 C ATOM 377 C CYS A 28 -12.519 1.804 5.133 1.00 0.00 C ATOM 378 O CYS A 28 -13.578 1.767 5.760 1.00 0.00 O ATOM 379 CB CYS A 28 -11.822 -0.504 4.466 1.00 0.00 C ATOM 380 SG CYS A 28 -12.150 -0.124 2.715 1.00 0.00 S ATOM 0 H CYS A 28 -12.123 -0.200 7.078 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.501 1.112 4.982 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.007 -1.226 4.524 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.703 -0.983 4.894 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.458 -0.925 1.960 1.00 0.00 H new ATOM 385 N LYS A 29 -12.224 2.771 4.271 1.00 0.00 N ATOM 386 CA LYS A 29 -13.147 3.868 4.006 1.00 0.00 C ATOM 387 C LYS A 29 -13.833 3.687 2.656 1.00 0.00 C ATOM 388 O LYS A 29 -14.106 4.659 1.951 1.00 0.00 O ATOM 389 CB LYS A 29 -12.404 5.206 4.038 1.00 0.00 C ATOM 390 CG LYS A 29 -11.711 5.485 5.360 1.00 0.00 C ATOM 391 CD LYS A 29 -12.636 6.192 6.336 1.00 0.00 C ATOM 392 CE LYS A 29 -11.853 6.985 7.371 1.00 0.00 C ATOM 393 NZ LYS A 29 -12.716 7.423 8.503 1.00 0.00 N ATOM 0 H LYS A 29 -11.352 2.817 3.744 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.910 3.865 4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.663 5.220 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.111 6.010 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.368 4.547 5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.827 6.098 5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.300 6.861 5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.266 5.458 6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.035 6.375 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.405 7.858 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.146 7.960 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.482 8.026 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.124 6.589 8.972 1.00 0.00 H new ATOM 407 N LYS A 30 -14.109 2.437 2.301 1.00 0.00 N ATOM 408 CA LYS A 30 -14.766 2.128 1.036 1.00 0.00 C ATOM 409 C LYS A 30 -15.898 1.126 1.241 1.00 0.00 C ATOM 410 O LYS A 30 -17.014 1.328 0.762 1.00 0.00 O ATOM 411 CB LYS A 30 -13.752 1.570 0.034 1.00 0.00 C ATOM 412 CG LYS A 30 -14.386 1.034 -1.238 1.00 0.00 C ATOM 413 CD LYS A 30 -14.541 2.123 -2.286 1.00 0.00 C ATOM 414 CE LYS A 30 -15.635 1.782 -3.286 1.00 0.00 C ATOM 415 NZ LYS A 30 -16.972 1.694 -2.637 1.00 0.00 N ATOM 0 H LYS A 30 -13.888 1.621 2.872 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.189 3.051 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.042 2.355 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.184 0.772 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.773 0.227 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.363 0.608 -1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.775 3.069 -1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.596 2.261 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.661 2.540 -4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.403 0.833 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.714 1.850 -3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.091 0.752 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.046 2.419 -1.895 1.00 0.00 H new ATOM 429 N CYS A 31 -15.603 0.046 1.957 1.00 0.00 N ATOM 430 CA CYS A 31 -16.596 -0.987 2.227 1.00 0.00 C ATOM 431 C CYS A 31 -17.008 -0.974 3.696 1.00 0.00 C ATOM 432 O CYS A 31 -17.936 -1.677 4.097 1.00 0.00 O ATOM 433 CB CYS A 31 -16.044 -2.364 1.853 1.00 0.00 C ATOM 434 SG CYS A 31 -14.631 -2.900 2.870 1.00 0.00 S ATOM 0 H CYS A 31 -14.684 -0.136 2.361 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.476 -0.778 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.843 -3.100 1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.740 -2.350 0.806 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.716 -1.976 2.863 1.00 0.00 H new ATOM 439 N SER A 32 -16.313 -0.170 4.493 1.00 0.00 N ATOM 440 CA SER A 32 -16.604 -0.068 5.919 1.00 0.00 C ATOM 441 C SER A 32 -16.308 -1.385 6.629 1.00 0.00 C ATOM 442 O SER A 32 -17.172 -1.946 7.302 1.00 0.00 O ATOM 443 CB SER A 32 -18.067 0.325 6.135 1.00 0.00 C ATOM 444 OG SER A 32 -18.228 1.046 7.344 1.00 0.00 O ATOM 0 H SER A 32 -15.544 0.421 4.176 1.00 0.00 H new ATOM 0 HA SER A 32 -15.962 0.704 6.342 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.411 0.932 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.688 -0.571 6.156 1.00 0.00 H new ATOM 0 HG SER A 32 -19.171 1.287 7.458 1.00 0.00 H new ATOM 450 N GLU A 33 -15.081 -1.872 6.474 1.00 0.00 N ATOM 451 CA GLU A 33 -14.672 -3.124 7.100 1.00 0.00 C ATOM 452 C GLU A 33 -13.327 -2.965 7.804 1.00 0.00 C ATOM 453 O GLU A 33 -12.705 -1.905 7.745 1.00 0.00 O ATOM 454 CB GLU A 33 -14.584 -4.238 6.054 1.00 0.00 C ATOM 455 CG GLU A 33 -15.939 -4.734 5.579 1.00 0.00 C ATOM 456 CD GLU A 33 -15.902 -6.177 5.115 1.00 0.00 C ATOM 457 OE1 GLU A 33 -15.351 -7.022 5.850 1.00 0.00 O ATOM 458 OE2 GLU A 33 -16.424 -6.461 4.016 1.00 0.00 O ATOM 0 H GLU A 33 -14.353 -1.419 5.921 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.423 -3.392 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.018 -3.876 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.026 -5.075 6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.662 -4.635 6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.287 -4.102 4.762 1.00 0.00 H new ATOM 465 N SER A 34 -12.886 -4.028 8.470 1.00 0.00 N ATOM 466 CA SER A 34 -11.618 -4.006 9.190 1.00 0.00 C ATOM 467 C SER A 34 -10.519 -4.679 8.374 1.00 0.00 C ATOM 468 O SER A 34 -10.686 -5.800 7.893 1.00 0.00 O ATOM 469 CB SER A 34 -11.764 -4.704 10.543 1.00 0.00 C ATOM 470 OG SER A 34 -10.781 -4.252 11.459 1.00 0.00 O ATOM 0 H SER A 34 -13.388 -4.914 8.526 1.00 0.00 H new ATOM 0 HA SER A 34 -11.339 -2.965 9.354 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.758 -4.514 10.948 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.674 -5.782 10.411 1.00 0.00 H new ATOM 0 HG SER A 34 -10.897 -4.712 12.317 1.00 0.00 H new ATOM 476 N ILE A 35 -9.395 -3.986 8.222 1.00 0.00 N ATOM 477 CA ILE A 35 -8.268 -4.516 7.465 1.00 0.00 C ATOM 478 C ILE A 35 -7.495 -5.547 8.280 1.00 0.00 C ATOM 479 O ILE A 35 -7.083 -5.298 9.413 1.00 0.00 O ATOM 480 CB ILE A 35 -7.305 -3.396 7.030 1.00 0.00 C ATOM 481 CG1 ILE A 35 -8.035 -2.380 6.149 1.00 0.00 C ATOM 482 CG2 ILE A 35 -6.109 -3.981 6.293 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.376 -1.018 6.124 1.00 0.00 C ATOM 0 H ILE A 35 -9.241 -3.057 8.613 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.681 -4.994 6.577 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.942 -2.883 7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.090 -2.767 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.060 -2.272 6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.438 -3.176 5.992 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.578 -4.670 6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.453 -4.516 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.947 -0.349 5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.345 -0.610 7.134 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.360 -1.112 5.740 1.00 0.00 H new ATOM 495 N PRO A 36 -7.290 -6.735 7.691 1.00 0.00 N ATOM 496 CA PRO A 36 -6.563 -7.828 8.343 1.00 0.00 C ATOM 497 C PRO A 36 -5.074 -7.531 8.483 1.00 0.00 C ATOM 498 O PRO A 36 -4.518 -6.724 7.737 1.00 0.00 O ATOM 499 CB PRO A 36 -6.785 -9.014 7.401 1.00 0.00 C ATOM 500 CG PRO A 36 -7.039 -8.397 6.069 1.00 0.00 C ATOM 501 CD PRO A 36 -7.753 -7.102 6.342 1.00 0.00 C ATOM 0 HA PRO A 36 -6.915 -8.002 9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.913 -9.667 7.375 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.630 -9.623 7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.105 -8.223 5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.645 -9.053 5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.496 -6.339 5.607 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.836 -7.225 6.308 1.00 0.00 H new ATOM 509 N LYS A 37 -4.432 -8.187 9.444 1.00 0.00 N ATOM 510 CA LYS A 37 -3.006 -7.996 9.681 1.00 0.00 C ATOM 511 C LYS A 37 -2.176 -8.753 8.650 1.00 0.00 C ATOM 512 O LYS A 37 -2.614 -9.771 8.112 1.00 0.00 O ATOM 513 CB LYS A 37 -2.636 -8.461 11.091 1.00 0.00 C ATOM 514 CG LYS A 37 -1.141 -8.462 11.359 1.00 0.00 C ATOM 515 CD LYS A 37 -0.825 -8.963 12.758 1.00 0.00 C ATOM 516 CE LYS A 37 0.617 -9.434 12.868 1.00 0.00 C ATOM 517 NZ LYS A 37 1.581 -8.309 12.727 1.00 0.00 N ATOM 0 H LYS A 37 -4.877 -8.856 10.072 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.787 -6.932 9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.126 -7.814 11.818 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.025 -9.467 11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.639 -9.092 10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.748 -7.453 11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.005 -8.167 13.480 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.497 -9.782 13.013 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.767 -9.922 13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.815 -10.180 12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.306 -8.559 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.075 -7.456 12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.036 -8.125 13.644 1.00 0.00 H new ATOM 531 N ASP A 38 -0.976 -8.252 8.380 1.00 0.00 N ATOM 532 CA ASP A 38 -0.083 -8.883 7.414 1.00 0.00 C ATOM 533 C ASP A 38 -0.777 -9.059 6.067 1.00 0.00 C ATOM 534 O ASP A 38 -0.661 -10.106 5.430 1.00 0.00 O ATOM 535 CB ASP A 38 0.392 -10.239 7.938 1.00 0.00 C ATOM 536 CG ASP A 38 1.658 -10.129 8.765 1.00 0.00 C ATOM 537 OD1 ASP A 38 1.773 -9.163 9.547 1.00 0.00 O ATOM 538 OD2 ASP A 38 2.534 -11.009 8.629 1.00 0.00 O ATOM 0 H ASP A 38 -0.599 -7.411 8.816 1.00 0.00 H new ATOM 0 HA ASP A 38 0.781 -8.233 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.396 -10.688 8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.568 -10.909 7.096 1.00 0.00 H new ATOM 543 N SER A 39 -1.498 -8.028 5.639 1.00 0.00 N ATOM 544 CA SER A 39 -2.215 -8.071 4.370 1.00 0.00 C ATOM 545 C SER A 39 -1.786 -6.919 3.466 1.00 0.00 C ATOM 546 O SER A 39 -1.370 -5.862 3.942 1.00 0.00 O ATOM 547 CB SER A 39 -3.724 -8.011 4.610 1.00 0.00 C ATOM 548 OG SER A 39 -4.149 -6.681 4.854 1.00 0.00 O ATOM 0 H SER A 39 -1.601 -7.153 6.152 1.00 0.00 H new ATOM 0 HA SER A 39 -1.971 -9.010 3.874 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.250 -8.411 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.986 -8.641 5.460 1.00 0.00 H new ATOM 0 HG SER A 39 -4.298 -6.556 5.815 1.00 0.00 H new ATOM 554 N LEU A 40 -1.890 -7.132 2.159 1.00 0.00 N ATOM 555 CA LEU A 40 -1.513 -6.113 1.185 1.00 0.00 C ATOM 556 C LEU A 40 -2.588 -5.035 1.082 1.00 0.00 C ATOM 557 O LEU A 40 -3.697 -5.293 0.615 1.00 0.00 O ATOM 558 CB LEU A 40 -1.281 -6.750 -0.186 1.00 0.00 C ATOM 559 CG LEU A 40 -0.669 -5.842 -1.253 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.711 -5.368 -0.825 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.596 -6.564 -2.590 1.00 0.00 C ATOM 0 H LEU A 40 -2.232 -8.001 1.749 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.587 -5.647 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.631 -7.615 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.236 -7.122 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.310 -4.968 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.130 -4.723 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.631 -4.811 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.363 -6.230 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.158 -5.902 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.022 -7.456 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.600 -6.851 -2.904 1.00 0.00 H new ATOM 573 N ARG A 41 -2.250 -3.826 1.519 1.00 0.00 N ATOM 574 CA ARG A 41 -3.185 -2.709 1.475 1.00 0.00 C ATOM 575 C ARG A 41 -2.511 -1.457 0.920 1.00 0.00 C ATOM 576 O ARG A 41 -1.296 -1.428 0.728 1.00 0.00 O ATOM 577 CB ARG A 41 -3.741 -2.426 2.872 1.00 0.00 C ATOM 578 CG ARG A 41 -2.755 -1.717 3.787 1.00 0.00 C ATOM 579 CD ARG A 41 -3.169 -1.832 5.246 1.00 0.00 C ATOM 580 NE ARG A 41 -2.329 -1.016 6.119 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.414 -1.031 7.444 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.297 -1.816 8.046 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.615 -0.259 8.170 1.00 0.00 N ATOM 0 H ARG A 41 -1.335 -3.596 1.907 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.007 -2.982 0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.640 -1.817 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.039 -3.368 3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.761 -2.145 3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.689 -0.665 3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.209 -1.525 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.111 -2.875 5.558 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.639 -0.401 5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.913 -2.410 7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.360 -1.826 9.064 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.935 0.346 7.710 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.681 -0.271 9.188 1.00 0.00 H new ATOM 597 N MET A 42 -3.309 -0.425 0.666 1.00 0.00 N ATOM 598 CA MET A 42 -2.789 0.830 0.135 1.00 0.00 C ATOM 599 C MET A 42 -3.102 1.990 1.074 1.00 0.00 C ATOM 600 O MET A 42 -3.803 1.820 2.072 1.00 0.00 O ATOM 601 CB MET A 42 -3.379 1.105 -1.250 1.00 0.00 C ATOM 602 CG MET A 42 -2.621 0.429 -2.380 1.00 0.00 C ATOM 603 SD MET A 42 -1.367 1.497 -3.113 1.00 0.00 S ATOM 604 CE MET A 42 -1.545 1.088 -4.847 1.00 0.00 C ATOM 0 H MET A 42 -4.317 -0.433 0.819 1.00 0.00 H new ATOM 0 HA MET A 42 -1.706 0.739 0.049 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.416 0.769 -1.267 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.390 2.181 -1.424 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.146 -0.476 -2.003 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.326 0.121 -3.152 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.560 1.034 -5.311 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.045 0.124 -4.944 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.138 1.856 -5.343 1.00 0.00 H new ATOM 614 N ALA A 43 -2.578 3.167 0.749 1.00 0.00 N ATOM 615 CA ALA A 43 -2.804 4.355 1.563 1.00 0.00 C ATOM 616 C ALA A 43 -2.986 5.592 0.691 1.00 0.00 C ATOM 617 O ALA A 43 -2.436 5.674 -0.408 1.00 0.00 O ATOM 618 CB ALA A 43 -1.650 4.556 2.534 1.00 0.00 C ATOM 0 H ALA A 43 -1.994 3.323 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.722 4.206 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.832 5.447 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.569 3.687 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.722 4.678 1.976 1.00 0.00 H new ATOM 624 N ILE A 44 -3.761 6.551 1.186 1.00 0.00 N ATOM 625 CA ILE A 44 -4.015 7.784 0.451 1.00 0.00 C ATOM 626 C ILE A 44 -3.940 8.997 1.371 1.00 0.00 C ATOM 627 O ILE A 44 -4.478 8.984 2.477 1.00 0.00 O ATOM 628 CB ILE A 44 -5.394 7.757 -0.234 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.465 6.608 -1.241 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.670 9.087 -0.919 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.875 6.133 -1.518 1.00 0.00 C ATOM 0 H ILE A 44 -4.224 6.498 2.093 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.241 7.862 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.158 7.596 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.007 6.927 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.875 5.771 -0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.648 9.053 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.656 9.887 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.903 9.275 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.849 5.317 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.329 5.782 -0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.464 6.957 -1.922 1.00 0.00 H new ATOM 643 N MET A 45 -3.269 10.046 0.905 1.00 0.00 N ATOM 644 CA MET A 45 -3.126 11.270 1.685 1.00 0.00 C ATOM 645 C MET A 45 -4.227 12.267 1.338 1.00 0.00 C ATOM 646 O MET A 45 -4.105 13.033 0.381 1.00 0.00 O ATOM 647 CB MET A 45 -1.754 11.900 1.438 1.00 0.00 C ATOM 648 CG MET A 45 -0.599 11.066 1.967 1.00 0.00 C ATOM 649 SD MET A 45 -0.096 11.549 3.629 1.00 0.00 S ATOM 650 CE MET A 45 -1.173 10.519 4.622 1.00 0.00 C ATOM 0 H MET A 45 -2.816 10.073 -0.009 1.00 0.00 H new ATOM 0 HA MET A 45 -3.214 11.012 2.740 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.621 12.053 0.367 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.725 12.884 1.906 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.887 10.015 1.970 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.252 11.162 1.292 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.703 10.324 5.586 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.123 11.030 4.778 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.350 9.575 4.107 1.00 0.00 H new ATOM 660 N VAL A 46 -5.301 12.253 2.121 1.00 0.00 N ATOM 661 CA VAL A 46 -6.423 13.157 1.896 1.00 0.00 C ATOM 662 C VAL A 46 -6.589 14.126 3.061 1.00 0.00 C ATOM 663 O VAL A 46 -5.969 13.962 4.111 1.00 0.00 O ATOM 664 CB VAL A 46 -7.738 12.381 1.697 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.671 11.530 0.437 1.00 0.00 C ATOM 666 CG2 VAL A 46 -8.039 11.521 2.915 1.00 0.00 C ATOM 0 H VAL A 46 -5.418 11.626 2.917 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.200 13.718 0.989 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.549 13.100 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.609 10.989 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.506 12.173 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.850 10.818 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.972 10.980 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.228 10.809 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.133 12.157 3.795 1.00 0.00 H new ATOM 676 N GLN A 47 -7.431 15.137 2.867 1.00 0.00 N ATOM 677 CA GLN A 47 -7.679 16.133 3.903 1.00 0.00 C ATOM 678 C GLN A 47 -9.014 15.879 4.594 1.00 0.00 C ATOM 679 O GLN A 47 -9.945 15.345 3.990 1.00 0.00 O ATOM 680 CB GLN A 47 -7.661 17.539 3.301 1.00 0.00 C ATOM 681 CG GLN A 47 -7.489 18.641 4.334 1.00 0.00 C ATOM 682 CD GLN A 47 -7.960 19.991 3.832 1.00 0.00 C ATOM 683 OE1 GLN A 47 -8.461 20.110 2.713 1.00 0.00 O ATOM 684 NE2 GLN A 47 -7.803 21.018 4.659 1.00 0.00 N ATOM 0 H GLN A 47 -7.952 15.288 2.003 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.886 16.053 4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.851 17.604 2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.591 17.704 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.044 18.379 5.235 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.438 18.709 4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.383 20.874 5.577 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.102 21.951 4.376 1.00 0.00 H new ATOM 693 N SER A 48 -9.101 16.265 5.863 1.00 0.00 N ATOM 694 CA SER A 48 -10.322 16.075 6.638 1.00 0.00 C ATOM 695 C SER A 48 -10.889 17.416 7.094 1.00 0.00 C ATOM 696 O SER A 48 -10.157 18.358 7.400 1.00 0.00 O ATOM 697 CB SER A 48 -10.047 15.186 7.852 1.00 0.00 C ATOM 698 OG SER A 48 -11.121 15.237 8.775 1.00 0.00 O ATOM 0 H SER A 48 -8.341 16.711 6.376 1.00 0.00 H new ATOM 0 HA SER A 48 -11.057 15.587 5.998 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.892 14.158 7.526 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.127 15.507 8.341 1.00 0.00 H new ATOM 0 HG SER A 48 -10.922 14.659 9.541 1.00 0.00 H new ATOM 774 N LYS A 54 -4.357 16.700 6.945 1.00 0.00 N ATOM 775 CA LYS A 54 -4.245 15.515 6.103 1.00 0.00 C ATOM 776 C LYS A 54 -4.166 14.250 6.952 1.00 0.00 C ATOM 777 O LYS A 54 -3.486 14.221 7.978 1.00 0.00 O ATOM 778 CB LYS A 54 -3.011 15.618 5.205 1.00 0.00 C ATOM 779 CG LYS A 54 -3.273 16.334 3.891 1.00 0.00 C ATOM 780 CD LYS A 54 -2.136 16.124 2.905 1.00 0.00 C ATOM 781 CE LYS A 54 -2.052 17.262 1.900 1.00 0.00 C ATOM 782 NZ LYS A 54 -1.523 16.804 0.586 1.00 0.00 N ATOM 0 HA LYS A 54 -5.137 15.457 5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.222 16.143 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.640 14.615 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.204 15.970 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.403 17.400 4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.193 16.045 3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.280 15.181 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.042 17.698 1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.410 18.049 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.481 17.609 -0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.568 16.411 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.149 16.071 0.196 1.00 0.00 H new ATOM 796 N VAL A 55 -4.864 13.206 6.517 1.00 0.00 N ATOM 797 CA VAL A 55 -4.869 11.937 7.236 1.00 0.00 C ATOM 798 C VAL A 55 -4.724 10.762 6.276 1.00 0.00 C ATOM 799 O VAL A 55 -5.331 10.723 5.205 1.00 0.00 O ATOM 800 CB VAL A 55 -6.163 11.762 8.053 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.243 12.806 9.156 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.381 11.838 7.146 1.00 0.00 C ATOM 0 H VAL A 55 -5.433 13.214 5.671 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.017 11.954 7.916 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.147 10.777 8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.164 12.667 9.723 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.387 12.698 9.822 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.236 13.803 8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.286 11.712 7.741 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.405 12.808 6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.327 11.048 6.397 1.00 0.00 H new ATOM 812 N PRO A 56 -3.901 9.777 6.667 1.00 0.00 N ATOM 813 CA PRO A 56 -3.657 8.581 5.856 1.00 0.00 C ATOM 814 C PRO A 56 -4.876 7.667 5.789 1.00 0.00 C ATOM 815 O PRO A 56 -5.357 7.180 6.813 1.00 0.00 O ATOM 816 CB PRO A 56 -2.507 7.885 6.588 1.00 0.00 C ATOM 817 CG PRO A 56 -2.620 8.350 7.999 1.00 0.00 C ATOM 818 CD PRO A 56 -3.145 9.757 7.931 1.00 0.00 C ATOM 0 HA PRO A 56 -3.432 8.831 4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.593 6.801 6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.543 8.155 6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.294 7.709 8.568 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.652 8.319 8.499 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.782 9.990 8.784 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.337 10.488 7.928 1.00 0.00 H new ATOM 826 N HIS A 57 -5.373 7.439 4.578 1.00 0.00 N ATOM 827 CA HIS A 57 -6.537 6.583 4.377 1.00 0.00 C ATOM 828 C HIS A 57 -6.126 5.238 3.784 1.00 0.00 C ATOM 829 O HIS A 57 -5.633 5.170 2.659 1.00 0.00 O ATOM 830 CB HIS A 57 -7.550 7.269 3.461 1.00 0.00 C ATOM 831 CG HIS A 57 -8.327 8.357 4.136 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.530 8.832 3.657 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.067 9.063 5.261 1.00 0.00 C ATOM 834 CE1 HIS A 57 -9.975 9.784 4.457 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.106 9.943 5.439 1.00 0.00 N ATOM 0 H HIS A 57 -4.988 7.835 3.721 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.999 6.407 5.348 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.026 7.688 2.602 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.245 6.522 3.077 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -10.002 8.500 2.816 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.203 8.954 5.900 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.893 10.338 4.330 1.00 0.00 H new ATOM 843 N TRP A 58 -6.333 4.172 4.549 1.00 0.00 N ATOM 844 CA TRP A 58 -5.983 2.830 4.099 1.00 0.00 C ATOM 845 C TRP A 58 -7.180 2.144 3.451 1.00 0.00 C ATOM 846 O TRP A 58 -8.290 2.179 3.983 1.00 0.00 O ATOM 847 CB TRP A 58 -5.474 1.992 5.274 1.00 0.00 C ATOM 848 CG TRP A 58 -4.334 2.631 6.009 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.416 3.422 7.119 1.00 0.00 C ATOM 850 CD2 TRP A 58 -2.943 2.535 5.683 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.159 3.822 7.504 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.238 3.291 6.640 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.225 1.882 4.679 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -0.851 3.411 6.618 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -0.848 2.002 4.658 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.173 2.761 5.623 1.00 0.00 C ATOM 0 H TRP A 58 -6.741 4.211 5.483 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.191 2.918 3.355 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.295 1.819 5.970 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.158 1.016 4.905 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.333 3.693 7.620 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.946 4.418 8.304 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.737 1.293 3.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.329 3.997 7.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.283 1.502 3.885 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.904 2.834 5.581 1.00 0.00 H new ATOM 867 N TYR A 59 -6.949 1.520 2.301 1.00 0.00 N ATOM 868 CA TYR A 59 -8.010 0.828 1.580 1.00 0.00 C ATOM 869 C TYR A 59 -7.599 -0.603 1.248 1.00 0.00 C ATOM 870 O TYR A 59 -6.411 -0.915 1.155 1.00 0.00 O ATOM 871 CB TYR A 59 -8.358 1.581 0.295 1.00 0.00 C ATOM 872 CG TYR A 59 -9.047 2.905 0.537 1.00 0.00 C ATOM 873 CD1 TYR A 59 -8.311 4.064 0.754 1.00 0.00 C ATOM 874 CD2 TYR A 59 -10.433 2.998 0.551 1.00 0.00 C ATOM 875 CE1 TYR A 59 -8.936 5.276 0.976 1.00 0.00 C ATOM 876 CE2 TYR A 59 -11.066 4.206 0.771 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.313 5.342 0.983 1.00 0.00 C ATOM 878 OH TYR A 59 -10.940 6.546 1.204 1.00 0.00 O ATOM 0 H TYR A 59 -6.036 1.479 1.848 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.889 0.795 2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.444 1.755 -0.273 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.002 0.953 -0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.232 4.016 0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.026 2.110 0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.349 6.167 1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.145 4.261 0.777 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.911 6.419 1.176 1.00 0.00 H new ATOM 888 N HIS A 60 -8.590 -1.471 1.070 1.00 0.00 N ATOM 889 CA HIS A 60 -8.333 -2.870 0.747 1.00 0.00 C ATOM 890 C HIS A 60 -7.741 -3.004 -0.653 1.00 0.00 C ATOM 891 O HIS A 60 -8.149 -2.304 -1.580 1.00 0.00 O ATOM 892 CB HIS A 60 -9.624 -3.684 0.848 1.00 0.00 C ATOM 893 CG HIS A 60 -10.034 -3.985 2.256 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.185 -3.485 2.828 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.440 -4.741 3.209 1.00 0.00 C ATOM 896 CE1 HIS A 60 -11.280 -3.919 4.072 1.00 0.00 C ATOM 897 NE2 HIS A 60 -10.234 -4.684 4.328 1.00 0.00 N ATOM 0 H HIS A 60 -9.578 -1.230 1.144 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.611 -3.257 1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.427 -3.138 0.353 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.496 -4.622 0.307 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.858 -2.875 2.363 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.514 -5.287 3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.078 -3.688 4.763 1.00 0.00 H new ATOM 905 N PHE A 61 -6.777 -3.907 -0.797 1.00 0.00 N ATOM 906 CA PHE A 61 -6.127 -4.132 -2.083 1.00 0.00 C ATOM 907 C PHE A 61 -7.111 -3.931 -3.232 1.00 0.00 C ATOM 908 O PHE A 61 -6.754 -3.400 -4.284 1.00 0.00 O ATOM 909 CB PHE A 61 -5.539 -5.543 -2.142 1.00 0.00 C ATOM 910 CG PHE A 61 -4.734 -5.807 -3.383 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.701 -4.959 -3.747 1.00 0.00 C ATOM 912 CD2 PHE A 61 -5.012 -6.902 -4.184 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.959 -5.198 -4.888 1.00 0.00 C ATOM 914 CE2 PHE A 61 -4.273 -7.147 -5.326 1.00 0.00 C ATOM 915 CZ PHE A 61 -3.246 -6.293 -5.679 1.00 0.00 C ATOM 0 H PHE A 61 -6.429 -4.495 -0.040 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.321 -3.406 -2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.907 -5.701 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.350 -6.269 -2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.473 -4.101 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.815 -7.572 -3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.156 -4.529 -5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.498 -8.005 -5.942 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.669 -6.481 -6.572 1.00 0.00 H new ATOM 925 N SER A 62 -8.351 -4.360 -3.023 1.00 0.00 N ATOM 926 CA SER A 62 -9.386 -4.232 -4.042 1.00 0.00 C ATOM 927 C SER A 62 -10.093 -2.884 -3.932 1.00 0.00 C ATOM 928 O SER A 62 -10.150 -2.119 -4.895 1.00 0.00 O ATOM 929 CB SER A 62 -10.404 -5.366 -3.912 1.00 0.00 C ATOM 930 OG SER A 62 -11.030 -5.346 -2.640 1.00 0.00 O ATOM 0 H SER A 62 -8.664 -4.799 -2.157 1.00 0.00 H new ATOM 0 HA SER A 62 -8.908 -4.294 -5.019 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.158 -5.273 -4.693 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.907 -6.324 -4.061 1.00 0.00 H new ATOM 0 HG SER A 62 -11.677 -6.079 -2.582 1.00 0.00 H new ATOM 936 N CYS A 63 -10.632 -2.601 -2.751 1.00 0.00 N ATOM 937 CA CYS A 63 -11.336 -1.347 -2.512 1.00 0.00 C ATOM 938 C CYS A 63 -10.554 -0.167 -3.081 1.00 0.00 C ATOM 939 O CYS A 63 -11.091 0.637 -3.844 1.00 0.00 O ATOM 940 CB CYS A 63 -11.567 -1.145 -1.013 1.00 0.00 C ATOM 941 SG CYS A 63 -12.786 -2.287 -0.287 1.00 0.00 S ATOM 0 H CYS A 63 -10.595 -3.224 -1.944 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.300 -1.399 -3.018 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.618 -1.264 -0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.898 -0.121 -0.842 1.00 0.00 H new ATOM 0 HG CYS A 63 -13.016 -1.949 0.947 1.00 0.00 H new ATOM 946 N PHE A 64 -9.283 -0.070 -2.705 1.00 0.00 N ATOM 947 CA PHE A 64 -8.427 1.012 -3.178 1.00 0.00 C ATOM 948 C PHE A 64 -8.619 1.245 -4.673 1.00 0.00 C ATOM 949 O PHE A 64 -8.555 2.378 -5.149 1.00 0.00 O ATOM 950 CB PHE A 64 -6.959 0.694 -2.884 1.00 0.00 C ATOM 951 CG PHE A 64 -6.006 1.732 -3.403 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.574 1.699 -4.719 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.541 2.741 -2.575 1.00 0.00 C ATOM 954 CE1 PHE A 64 -4.696 2.652 -5.199 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.664 3.698 -3.049 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.241 3.654 -4.364 1.00 0.00 C ATOM 0 H PHE A 64 -8.823 -0.727 -2.075 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.708 1.922 -2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.825 0.596 -1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.709 -0.271 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.928 0.919 -5.377 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.868 2.780 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.366 2.613 -6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.310 4.479 -2.393 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.556 4.401 -4.738 1.00 0.00 H new ATOM 966 N TRP A 65 -8.855 0.164 -5.408 1.00 0.00 N ATOM 967 CA TRP A 65 -9.056 0.249 -6.850 1.00 0.00 C ATOM 968 C TRP A 65 -10.513 0.554 -7.180 1.00 0.00 C ATOM 969 O TRP A 65 -10.810 1.216 -8.175 1.00 0.00 O ATOM 970 CB TRP A 65 -8.631 -1.057 -7.523 1.00 0.00 C ATOM 971 CG TRP A 65 -7.206 -1.431 -7.247 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.756 -2.602 -6.709 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.046 -0.629 -7.494 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.386 -2.577 -6.606 1.00 0.00 N ATOM 975 CE2 TRP A 65 -4.926 -1.377 -7.082 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.844 0.648 -8.026 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.626 -0.889 -7.185 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.553 1.131 -8.126 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.458 0.364 -7.708 1.00 0.00 C ATOM 0 H TRP A 65 -8.912 -0.781 -5.029 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.439 1.063 -7.230 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.283 -1.862 -7.183 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.773 -0.966 -8.600 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.385 -3.427 -6.408 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.806 -3.329 -6.235 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.682 1.246 -8.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.780 -1.479 -6.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.385 2.117 -8.534 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.461 0.770 -7.800 1.00 0.00 H new ATOM 990 N LYS A 66 -11.419 0.068 -6.338 1.00 0.00 N ATOM 991 CA LYS A 66 -12.847 0.290 -6.539 1.00 0.00 C ATOM 992 C LYS A 66 -13.151 1.778 -6.684 1.00 0.00 C ATOM 993 O LYS A 66 -13.806 2.197 -7.639 1.00 0.00 O ATOM 994 CB LYS A 66 -13.643 -0.292 -5.369 1.00 0.00 C ATOM 995 CG LYS A 66 -13.667 -1.811 -5.346 1.00 0.00 C ATOM 996 CD LYS A 66 -14.925 -2.338 -4.675 1.00 0.00 C ATOM 997 CE LYS A 66 -14.762 -3.789 -4.250 1.00 0.00 C ATOM 998 NZ LYS A 66 -15.901 -4.251 -3.408 1.00 0.00 N ATOM 0 H LYS A 66 -11.190 -0.482 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.142 -0.215 -7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.216 0.071 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.667 0.079 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.610 -2.192 -6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.789 -2.182 -4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.158 -1.726 -3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.768 -2.251 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.685 -4.420 -5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.831 -3.903 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.753 -5.245 -3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.959 -3.665 -2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.787 -4.167 -3.946 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.670 2.571 -5.732 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.889 4.013 -5.756 1.00 0.00 C ATOM 1014 C VAL A 67 -12.534 4.600 -7.118 1.00 0.00 C ATOM 1015 O VAL A 67 -13.266 5.428 -7.658 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.059 4.724 -4.671 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.631 4.442 -3.290 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.601 4.297 -4.750 1.00 0.00 C ATOM 0 H VAL A 67 -12.126 2.240 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.948 4.176 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.109 5.799 -4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.031 4.953 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.659 4.802 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.614 3.369 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.029 4.809 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.529 3.220 -4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.199 4.556 -5.729 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.405 4.165 -7.668 1.00 0.00 N ATOM 1029 CA GLY A 68 -10.972 4.657 -8.963 1.00 0.00 C ATOM 1030 C GLY A 68 -9.659 5.411 -8.887 1.00 0.00 C ATOM 1031 O GLY A 68 -9.533 6.509 -9.430 1.00 0.00 O ATOM 0 H GLY A 68 -10.782 3.480 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.866 3.818 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.740 5.312 -9.375 1.00 0.00 H new ATOM 1035 N HIS A 69 -8.678 4.821 -8.211 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.368 5.444 -8.066 1.00 0.00 C ATOM 1037 C HIS A 69 -6.368 4.844 -9.050 1.00 0.00 C ATOM 1038 O HIS A 69 -5.771 3.801 -8.784 1.00 0.00 O ATOM 1039 CB HIS A 69 -6.856 5.276 -6.635 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.248 6.398 -5.723 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.075 7.727 -6.046 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -7.811 6.382 -4.492 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.511 8.480 -5.053 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -7.964 7.689 -4.097 1.00 0.00 N ATOM 0 H HIS A 69 -8.766 3.913 -7.755 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.473 6.507 -8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.237 4.339 -6.229 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -5.769 5.197 -6.654 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.673 8.074 -6.917 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.088 5.505 -3.926 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.499 9.560 -5.027 1.00 0.00 H new ATOM 1052 N SER A 70 -6.192 5.509 -10.187 1.00 0.00 N ATOM 1053 CA SER A 70 -5.269 5.038 -11.213 1.00 0.00 C ATOM 1054 C SER A 70 -3.836 5.444 -10.881 1.00 0.00 C ATOM 1055 O SER A 70 -3.586 6.558 -10.420 1.00 0.00 O ATOM 1056 CB SER A 70 -5.665 5.596 -12.581 1.00 0.00 C ATOM 1057 OG SER A 70 -6.680 4.808 -13.178 1.00 0.00 O ATOM 0 H SER A 70 -6.676 6.376 -10.421 1.00 0.00 H new ATOM 0 HA SER A 70 -5.323 3.950 -11.244 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.014 6.623 -12.471 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.792 5.624 -13.233 1.00 0.00 H new ATOM 0 HG SER A 70 -6.917 5.186 -14.051 1.00 0.00 H new ATOM 1063 N ILE A 71 -2.899 4.532 -11.118 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.492 4.794 -10.846 1.00 0.00 C ATOM 1065 C ILE A 71 -0.615 4.355 -12.014 1.00 0.00 C ATOM 1066 O ILE A 71 -0.307 3.172 -12.161 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.022 4.076 -9.567 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -1.842 4.543 -8.363 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.461 4.325 -9.334 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.824 3.570 -7.205 1.00 0.00 C ATOM 0 H ILE A 71 -3.090 3.605 -11.498 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.393 5.870 -10.705 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.175 3.004 -9.693 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.459 5.506 -8.024 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.874 4.703 -8.676 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.778 3.811 -8.427 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.031 3.947 -10.183 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.638 5.395 -9.226 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.426 3.966 -6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.235 2.613 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.798 3.428 -6.865 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.214 5.315 -12.840 1.00 0.00 N ATOM 1083 CA ARG A 72 0.628 5.028 -13.995 1.00 0.00 C ATOM 1084 C ARG A 72 1.803 4.136 -13.603 1.00 0.00 C ATOM 1085 O ARG A 72 1.934 3.013 -14.091 1.00 0.00 O ATOM 1086 CB ARG A 72 1.145 6.328 -14.613 1.00 0.00 C ATOM 1087 CG ARG A 72 0.064 7.150 -15.296 1.00 0.00 C ATOM 1088 CD ARG A 72 -0.444 6.465 -16.556 1.00 0.00 C ATOM 1089 NE ARG A 72 -1.403 7.294 -17.281 1.00 0.00 N ATOM 1090 CZ ARG A 72 -1.827 7.022 -18.510 1.00 0.00 C ATOM 1091 NH1 ARG A 72 -1.380 5.949 -19.147 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -2.702 7.825 -19.103 1.00 0.00 N ATOM 0 H ARG A 72 -0.459 6.299 -12.731 1.00 0.00 H new ATOM 0 HA ARG A 72 0.022 4.500 -14.732 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.610 6.931 -13.833 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.923 6.091 -15.339 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.765 7.307 -14.606 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.459 8.134 -15.549 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.399 6.232 -17.207 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.912 5.517 -16.290 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.767 8.127 -16.819 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.709 5.329 -18.693 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.708 5.743 -20.091 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.049 8.651 -18.615 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.028 7.616 -20.047 1.00 0.00 H new ATOM 1106 N HIS A 73 2.655 4.645 -12.718 1.00 0.00 N ATOM 1107 CA HIS A 73 3.819 3.895 -12.260 1.00 0.00 C ATOM 1108 C HIS A 73 3.851 3.819 -10.736 1.00 0.00 C ATOM 1109 O HIS A 73 4.349 4.717 -10.056 1.00 0.00 O ATOM 1110 CB HIS A 73 5.105 4.542 -12.777 1.00 0.00 C ATOM 1111 CG HIS A 73 4.975 5.112 -14.156 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.436 6.366 -14.498 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.434 4.592 -15.282 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.183 6.593 -15.774 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.576 5.532 -16.274 1.00 0.00 N ATOM 0 H HIS A 73 2.561 5.573 -12.304 1.00 0.00 H new ATOM 0 HA HIS A 73 3.746 2.882 -12.656 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.404 5.335 -12.092 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.903 3.799 -12.773 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.976 3.619 -15.382 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.430 7.493 -16.317 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.264 5.427 -17.239 1.00 0.00 H new ATOM 1123 N PRO A 74 3.307 2.724 -10.186 1.00 0.00 N ATOM 1124 CA PRO A 74 3.261 2.505 -8.738 1.00 0.00 C ATOM 1125 C PRO A 74 4.641 2.235 -8.148 1.00 0.00 C ATOM 1126 O PRO A 74 4.858 2.408 -6.948 1.00 0.00 O ATOM 1127 CB PRO A 74 2.367 1.271 -8.594 1.00 0.00 C ATOM 1128 CG PRO A 74 2.503 0.551 -9.890 1.00 0.00 C ATOM 1129 CD PRO A 74 2.695 1.614 -10.936 1.00 0.00 C ATOM 0 HA PRO A 74 2.891 3.381 -8.205 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.686 0.647 -7.759 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.331 1.553 -8.404 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.351 -0.134 -9.869 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.616 -0.047 -10.099 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.341 1.271 -11.744 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.748 1.908 -11.388 1.00 0.00 H new ATOM 1137 N ASP A 75 5.569 1.811 -8.998 1.00 0.00 N ATOM 1138 CA ASP A 75 6.929 1.518 -8.561 1.00 0.00 C ATOM 1139 C ASP A 75 7.564 2.740 -7.905 1.00 0.00 C ATOM 1140 O ASP A 75 8.301 2.620 -6.925 1.00 0.00 O ATOM 1141 CB ASP A 75 7.781 1.060 -9.745 1.00 0.00 C ATOM 1142 CG ASP A 75 8.092 2.190 -10.707 1.00 0.00 C ATOM 1143 OD1 ASP A 75 7.144 2.738 -11.306 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.285 2.528 -10.858 1.00 0.00 O ATOM 0 H ASP A 75 5.405 1.662 -9.994 1.00 0.00 H new ATOM 0 HA ASP A 75 6.882 0.715 -7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.714 0.635 -9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.259 0.266 -10.279 1.00 0.00 H new ATOM 1149 N VAL A 76 7.275 3.917 -8.452 1.00 0.00 N ATOM 1150 CA VAL A 76 7.817 5.161 -7.920 1.00 0.00 C ATOM 1151 C VAL A 76 6.723 6.007 -7.278 1.00 0.00 C ATOM 1152 O VAL A 76 6.896 6.532 -6.178 1.00 0.00 O ATOM 1153 CB VAL A 76 8.510 5.987 -9.021 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.698 5.227 -9.590 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.521 6.347 -10.119 1.00 0.00 C ATOM 0 H VAL A 76 6.668 4.034 -9.264 1.00 0.00 H new ATOM 0 HA VAL A 76 8.552 4.888 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 76 8.879 6.912 -8.579 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.175 5.826 -10.366 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.416 5.025 -8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.356 4.285 -10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.028 6.930 -10.888 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.120 5.435 -10.561 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.706 6.934 -9.696 1.00 0.00 H new ATOM 1165 N GLU A 77 5.597 6.135 -7.973 1.00 0.00 N ATOM 1166 CA GLU A 77 4.475 6.918 -7.469 1.00 0.00 C ATOM 1167 C GLU A 77 4.021 6.405 -6.105 1.00 0.00 C ATOM 1168 O GLU A 77 3.826 7.182 -5.171 1.00 0.00 O ATOM 1169 CB GLU A 77 3.307 6.872 -8.457 1.00 0.00 C ATOM 1170 CG GLU A 77 3.601 7.563 -9.779 1.00 0.00 C ATOM 1171 CD GLU A 77 2.342 8.027 -10.486 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.812 9.094 -10.111 1.00 0.00 O ATOM 1173 OE2 GLU A 77 1.888 7.325 -11.413 1.00 0.00 O ATOM 0 H GLU A 77 5.438 5.707 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 77 4.808 7.950 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.046 5.831 -8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.435 7.339 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.250 8.420 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.147 6.879 -10.429 1.00 0.00 H new ATOM 1180 N VAL A 78 3.855 5.091 -6.000 1.00 0.00 N ATOM 1181 CA VAL A 78 3.426 4.472 -4.751 1.00 0.00 C ATOM 1182 C VAL A 78 4.619 3.959 -3.953 1.00 0.00 C ATOM 1183 O VAL A 78 5.477 3.254 -4.485 1.00 0.00 O ATOM 1184 CB VAL A 78 2.453 3.306 -5.008 1.00 0.00 C ATOM 1185 CG1 VAL A 78 2.056 2.643 -3.697 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.225 3.793 -5.763 1.00 0.00 C ATOM 0 H VAL A 78 4.011 4.434 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 78 2.913 5.243 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 78 2.958 2.563 -5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.368 1.822 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.946 2.257 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.569 3.374 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.549 2.956 -5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.715 4.556 -5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.530 4.216 -6.720 1.00 0.00 H new ATOM 1196 N ASP A 79 4.666 4.315 -2.674 1.00 0.00 N ATOM 1197 CA ASP A 79 5.753 3.889 -1.801 1.00 0.00 C ATOM 1198 C ASP A 79 5.567 2.437 -1.371 1.00 0.00 C ATOM 1199 O ASP A 79 4.488 1.867 -1.525 1.00 0.00 O ATOM 1200 CB ASP A 79 5.832 4.793 -0.570 1.00 0.00 C ATOM 1201 CG ASP A 79 7.242 4.907 -0.024 1.00 0.00 C ATOM 1202 OD1 ASP A 79 7.773 3.887 0.462 1.00 0.00 O ATOM 1203 OD2 ASP A 79 7.813 6.016 -0.083 1.00 0.00 O ATOM 0 H ASP A 79 3.964 4.898 -2.219 1.00 0.00 H new ATOM 0 HA ASP A 79 6.686 3.967 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.464 5.786 -0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.175 4.402 0.207 1.00 0.00 H new ATOM 1208 N GLY A 80 6.628 1.844 -0.830 1.00 0.00 N ATOM 1209 CA GLY A 80 6.561 0.464 -0.387 1.00 0.00 C ATOM 1210 C GLY A 80 6.767 -0.520 -1.522 1.00 0.00 C ATOM 1211 O GLY A 80 7.395 -1.563 -1.342 1.00 0.00 O ATOM 0 H GLY A 80 7.532 2.295 -0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.318 0.294 0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.592 0.281 0.077 1.00 0.00 H new ATOM 1215 N PHE A 81 6.234 -0.189 -2.694 1.00 0.00 N ATOM 1216 CA PHE A 81 6.360 -1.053 -3.862 1.00 0.00 C ATOM 1217 C PHE A 81 7.742 -1.698 -3.914 1.00 0.00 C ATOM 1218 O PHE A 81 7.865 -2.921 -3.986 1.00 0.00 O ATOM 1219 CB PHE A 81 6.109 -0.254 -5.142 1.00 0.00 C ATOM 1220 CG PHE A 81 6.079 -1.102 -6.382 1.00 0.00 C ATOM 1221 CD1 PHE A 81 7.247 -1.639 -6.898 1.00 0.00 C ATOM 1222 CD2 PHE A 81 4.882 -1.361 -7.030 1.00 0.00 C ATOM 1223 CE1 PHE A 81 7.222 -2.421 -8.038 1.00 0.00 C ATOM 1224 CE2 PHE A 81 4.852 -2.142 -8.170 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.023 -2.672 -8.675 1.00 0.00 C ATOM 0 H PHE A 81 5.711 0.671 -2.860 1.00 0.00 H new ATOM 0 HA PHE A 81 5.613 -1.842 -3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.160 0.275 -5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.887 0.502 -5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.188 -1.445 -6.404 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.963 -0.948 -6.640 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.139 -2.835 -8.430 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.913 -2.338 -8.666 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.001 -3.282 -9.566 1.00 0.00 H new ATOM 1235 N SER A 82 8.778 -0.867 -3.879 1.00 0.00 N ATOM 1236 CA SER A 82 10.152 -1.356 -3.927 1.00 0.00 C ATOM 1237 C SER A 82 10.405 -2.374 -2.820 1.00 0.00 C ATOM 1238 O SER A 82 11.035 -3.407 -3.044 1.00 0.00 O ATOM 1239 CB SER A 82 11.135 -0.191 -3.798 1.00 0.00 C ATOM 1240 OG SER A 82 12.473 -0.654 -3.763 1.00 0.00 O ATOM 0 H SER A 82 8.693 0.148 -3.818 1.00 0.00 H new ATOM 0 HA SER A 82 10.304 -1.846 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.005 0.493 -4.637 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.918 0.373 -2.891 1.00 0.00 H new ATOM 0 HG SER A 82 13.081 0.110 -3.682 1.00 0.00 H new ATOM 1246 N GLU A 83 9.909 -2.074 -1.623 1.00 0.00 N ATOM 1247 CA GLU A 83 10.082 -2.963 -0.480 1.00 0.00 C ATOM 1248 C GLU A 83 9.435 -4.320 -0.743 1.00 0.00 C ATOM 1249 O GLU A 83 10.000 -5.364 -0.416 1.00 0.00 O ATOM 1250 CB GLU A 83 9.481 -2.334 0.778 1.00 0.00 C ATOM 1251 CG GLU A 83 10.143 -1.028 1.182 1.00 0.00 C ATOM 1252 CD GLU A 83 9.597 -0.475 2.484 1.00 0.00 C ATOM 1253 OE1 GLU A 83 10.069 -0.906 3.557 1.00 0.00 O ATOM 1254 OE2 GLU A 83 8.697 0.389 2.430 1.00 0.00 O ATOM 0 H GLU A 83 9.385 -1.223 -1.420 1.00 0.00 H new ATOM 0 HA GLU A 83 11.151 -3.113 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.418 -2.157 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.562 -3.043 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.217 -1.185 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.999 -0.292 0.391 1.00 0.00 H new ATOM 1261 N LEU A 84 8.246 -4.297 -1.336 1.00 0.00 N ATOM 1262 CA LEU A 84 7.520 -5.525 -1.643 1.00 0.00 C ATOM 1263 C LEU A 84 8.414 -6.515 -2.382 1.00 0.00 C ATOM 1264 O LEU A 84 9.509 -6.168 -2.825 1.00 0.00 O ATOM 1265 CB LEU A 84 6.282 -5.211 -2.484 1.00 0.00 C ATOM 1266 CG LEU A 84 5.321 -4.174 -1.904 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.242 -3.820 -2.916 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.696 -4.688 -0.615 1.00 0.00 C ATOM 0 H LEU A 84 7.764 -3.442 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 84 7.207 -5.979 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.611 -4.864 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.731 -6.138 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 84 5.887 -3.271 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.567 -3.080 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.705 -3.409 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.679 -4.716 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.015 -3.937 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.145 -5.606 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.480 -4.890 0.114 1.00 0.00 H new ATOM 1280 N ARG A 85 7.939 -7.750 -2.512 1.00 0.00 N ATOM 1281 CA ARG A 85 8.695 -8.790 -3.198 1.00 0.00 C ATOM 1282 C ARG A 85 8.438 -8.747 -4.702 1.00 0.00 C ATOM 1283 O ARG A 85 7.468 -8.142 -5.158 1.00 0.00 O ATOM 1284 CB ARG A 85 8.324 -10.168 -2.646 1.00 0.00 C ATOM 1285 CG ARG A 85 8.584 -10.317 -1.156 1.00 0.00 C ATOM 1286 CD ARG A 85 10.063 -10.525 -0.866 1.00 0.00 C ATOM 1287 NE ARG A 85 10.537 -11.820 -1.347 1.00 0.00 N ATOM 1288 CZ ARG A 85 10.240 -12.975 -0.761 1.00 0.00 C ATOM 1289 NH1 ARG A 85 9.473 -12.996 0.320 1.00 0.00 N ATOM 1290 NH2 ARG A 85 10.710 -14.112 -1.258 1.00 0.00 N ATOM 0 H ARG A 85 7.035 -8.054 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 85 9.755 -8.609 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.269 -10.357 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.890 -10.930 -3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.231 -9.428 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.014 -11.162 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.640 -9.730 -1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.236 -10.451 0.208 1.00 0.00 H new ATOM 0 HE ARG A 85 11.128 -11.839 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.109 -12.124 0.704 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.247 -13.884 0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.300 -14.100 -2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.482 -14.998 -0.808 1.00 0.00 H new ATOM 1304 N TRP A 86 9.313 -9.392 -5.465 1.00 0.00 N ATOM 1305 CA TRP A 86 9.181 -9.427 -6.917 1.00 0.00 C ATOM 1306 C TRP A 86 7.744 -9.730 -7.326 1.00 0.00 C ATOM 1307 O TRP A 86 7.144 -8.996 -8.111 1.00 0.00 O ATOM 1308 CB TRP A 86 10.125 -10.474 -7.511 1.00 0.00 C ATOM 1309 CG TRP A 86 10.041 -10.570 -9.004 1.00 0.00 C ATOM 1310 CD1 TRP A 86 10.828 -9.921 -9.912 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.119 -11.360 -9.762 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.450 -10.260 -11.189 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.404 -11.142 -11.124 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.081 -12.232 -9.422 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 8.687 -11.764 -12.143 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.370 -12.848 -10.435 1.00 0.00 C ATOM 1317 CH2 TRP A 86 7.676 -12.613 -11.782 1.00 0.00 C ATOM 0 H TRP A 86 10.121 -9.898 -5.103 1.00 0.00 H new ATOM 0 HA TRP A 86 9.450 -8.444 -7.305 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.149 -10.232 -7.227 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.895 -11.447 -7.078 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.630 -9.241 -9.663 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.879 -9.911 -12.046 1.00 0.00 H new ATOM 0 HE3 TRP A 86 7.839 -12.421 -8.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 8.921 -11.583 -13.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 6.565 -13.522 -10.184 1.00 0.00 H new ATOM 0 HH2 TRP A 86 7.103 -13.111 -12.550 1.00 0.00 H new ATOM 1328 N ASP A 87 7.197 -10.815 -6.788 1.00 0.00 N ATOM 1329 CA ASP A 87 5.828 -11.214 -7.096 1.00 0.00 C ATOM 1330 C ASP A 87 4.865 -10.048 -6.899 1.00 0.00 C ATOM 1331 O ASP A 87 4.207 -9.606 -7.842 1.00 0.00 O ATOM 1332 CB ASP A 87 5.408 -12.393 -6.218 1.00 0.00 C ATOM 1333 CG ASP A 87 6.440 -13.503 -6.206 1.00 0.00 C ATOM 1334 OD1 ASP A 87 6.530 -14.241 -7.209 1.00 0.00 O ATOM 1335 OD2 ASP A 87 7.159 -13.633 -5.193 1.00 0.00 O ATOM 0 H ASP A 87 7.680 -11.434 -6.137 1.00 0.00 H new ATOM 0 HA ASP A 87 5.791 -11.519 -8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.244 -12.043 -5.199 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.458 -12.788 -6.576 1.00 0.00 H new ATOM 1340 N ASP A 88 4.785 -9.554 -5.669 1.00 0.00 N ATOM 1341 CA ASP A 88 3.902 -8.439 -5.348 1.00 0.00 C ATOM 1342 C ASP A 88 4.089 -7.295 -6.339 1.00 0.00 C ATOM 1343 O ASP A 88 3.136 -6.861 -6.986 1.00 0.00 O ATOM 1344 CB ASP A 88 4.166 -7.945 -3.924 1.00 0.00 C ATOM 1345 CG ASP A 88 3.366 -8.710 -2.888 1.00 0.00 C ATOM 1346 OD1 ASP A 88 3.691 -9.890 -2.640 1.00 0.00 O ATOM 1347 OD2 ASP A 88 2.414 -8.129 -2.326 1.00 0.00 O ATOM 0 H ASP A 88 5.321 -9.908 -4.877 1.00 0.00 H new ATOM 0 HA ASP A 88 2.873 -8.791 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.229 -8.040 -3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.920 -6.885 -3.859 1.00 0.00 H new ATOM 1352 N GLN A 89 5.321 -6.811 -6.452 1.00 0.00 N ATOM 1353 CA GLN A 89 5.632 -5.716 -7.363 1.00 0.00 C ATOM 1354 C GLN A 89 4.859 -5.860 -8.670 1.00 0.00 C ATOM 1355 O GLN A 89 4.312 -4.887 -9.189 1.00 0.00 O ATOM 1356 CB GLN A 89 7.134 -5.672 -7.648 1.00 0.00 C ATOM 1357 CG GLN A 89 7.964 -5.212 -6.460 1.00 0.00 C ATOM 1358 CD GLN A 89 9.447 -5.152 -6.773 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.925 -5.808 -7.698 1.00 0.00 O ATOM 1360 NE2 GLN A 89 10.183 -4.361 -6.001 1.00 0.00 N ATOM 0 H GLN A 89 6.121 -7.160 -5.924 1.00 0.00 H new ATOM 0 HA GLN A 89 5.333 -4.783 -6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.467 -6.664 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.317 -5.003 -8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.623 -4.226 -6.143 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.800 -5.890 -5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.745 -3.835 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.187 -4.279 -6.164 1.00 0.00 H new ATOM 1369 N GLN A 90 4.819 -7.080 -9.197 1.00 0.00 N ATOM 1370 CA GLN A 90 4.114 -7.350 -10.444 1.00 0.00 C ATOM 1371 C GLN A 90 2.605 -7.256 -10.248 1.00 0.00 C ATOM 1372 O GLN A 90 1.924 -6.493 -10.935 1.00 0.00 O ATOM 1373 CB GLN A 90 4.486 -8.736 -10.975 1.00 0.00 C ATOM 1374 CG GLN A 90 5.980 -8.930 -11.175 1.00 0.00 C ATOM 1375 CD GLN A 90 6.605 -7.829 -12.008 1.00 0.00 C ATOM 1376 OE1 GLN A 90 6.494 -7.823 -13.235 1.00 0.00 O ATOM 1377 NE2 GLN A 90 7.267 -6.888 -11.345 1.00 0.00 N ATOM 0 H GLN A 90 5.266 -7.896 -8.780 1.00 0.00 H new ATOM 0 HA GLN A 90 4.415 -6.597 -11.172 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.120 -9.492 -10.281 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.976 -8.901 -11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.471 -8.968 -10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.156 -9.891 -11.659 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.334 -6.932 -10.328 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.708 -6.121 -11.853 1.00 0.00 H new ATOM 1386 N LYS A 91 2.086 -8.036 -9.306 1.00 0.00 N ATOM 1387 CA LYS A 91 0.657 -8.041 -9.017 1.00 0.00 C ATOM 1388 C LYS A 91 0.089 -6.626 -9.055 1.00 0.00 C ATOM 1389 O LYS A 91 -0.901 -6.361 -9.738 1.00 0.00 O ATOM 1390 CB LYS A 91 0.394 -8.670 -7.647 1.00 0.00 C ATOM 1391 CG LYS A 91 -1.061 -9.037 -7.414 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.407 -9.036 -5.935 1.00 0.00 C ATOM 1393 CE LYS A 91 -0.897 -10.291 -5.243 1.00 0.00 C ATOM 1394 NZ LYS A 91 -1.088 -10.227 -3.767 1.00 0.00 N ATOM 0 H LYS A 91 2.635 -8.674 -8.729 1.00 0.00 H new ATOM 0 HA LYS A 91 0.160 -8.635 -9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.007 -9.566 -7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.713 -7.975 -6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.704 -8.331 -7.939 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.260 -10.023 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.974 -8.156 -5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.488 -8.966 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.419 -11.162 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.161 -10.425 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.728 -11.100 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.569 -9.411 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.100 -10.125 -3.552 1.00 0.00 H new ATOM 1408 N VAL A 92 0.723 -5.718 -8.320 1.00 0.00 N ATOM 1409 CA VAL A 92 0.283 -4.329 -8.272 1.00 0.00 C ATOM 1410 C VAL A 92 0.475 -3.645 -9.621 1.00 0.00 C ATOM 1411 O VAL A 92 -0.332 -2.809 -10.026 1.00 0.00 O ATOM 1412 CB VAL A 92 1.044 -3.536 -7.193 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.574 -2.089 -7.163 1.00 0.00 C ATOM 1414 CG2 VAL A 92 0.872 -4.190 -5.831 1.00 0.00 C ATOM 0 H VAL A 92 1.544 -5.920 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.778 -4.341 -8.022 1.00 0.00 H new ATOM 0 HB VAL A 92 2.105 -3.543 -7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.123 -1.544 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.754 -1.628 -8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.492 -2.057 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.416 -3.617 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.186 -4.216 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.262 -5.207 -5.864 1.00 0.00 H new ATOM 1424 N LYS A 93 1.550 -4.006 -10.313 1.00 0.00 N ATOM 1425 CA LYS A 93 1.849 -3.429 -11.618 1.00 0.00 C ATOM 1426 C LYS A 93 0.720 -3.704 -12.606 1.00 0.00 C ATOM 1427 O LYS A 93 0.026 -2.785 -13.042 1.00 0.00 O ATOM 1428 CB LYS A 93 3.164 -3.996 -12.160 1.00 0.00 C ATOM 1429 CG LYS A 93 4.384 -3.178 -11.772 1.00 0.00 C ATOM 1430 CD LYS A 93 5.674 -3.883 -12.158 1.00 0.00 C ATOM 1431 CE LYS A 93 6.050 -3.606 -13.605 1.00 0.00 C ATOM 1432 NZ LYS A 93 7.188 -4.454 -14.055 1.00 0.00 N ATOM 0 H LYS A 93 2.229 -4.696 -9.992 1.00 0.00 H new ATOM 0 HA LYS A 93 1.948 -2.350 -11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.289 -5.015 -11.794 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.105 -4.052 -13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.340 -2.204 -12.260 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.375 -2.997 -10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.480 -3.554 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.561 -4.957 -12.010 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.187 -3.787 -14.245 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.315 -2.554 -13.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.413 -4.235 -15.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.020 -4.263 -13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.927 -5.457 -13.973 1.00 0.00 H new ATOM 1446 N LYS A 94 0.541 -4.973 -12.955 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.506 -5.370 -13.890 1.00 0.00 C ATOM 1448 C LYS A 94 -1.848 -4.762 -13.494 1.00 0.00 C ATOM 1449 O LYS A 94 -2.513 -4.117 -14.305 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.620 -6.895 -13.942 1.00 0.00 C ATOM 1451 CG LYS A 94 -0.617 -7.552 -12.572 1.00 0.00 C ATOM 1452 CD LYS A 94 0.038 -8.922 -12.613 1.00 0.00 C ATOM 1453 CE LYS A 94 -0.987 -10.025 -12.831 1.00 0.00 C ATOM 1454 NZ LYS A 94 -0.544 -11.319 -12.242 1.00 0.00 N ATOM 0 H LYS A 94 1.108 -5.745 -12.604 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.236 -4.998 -14.878 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.539 -7.165 -14.463 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.208 -7.293 -14.529 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.087 -6.915 -11.863 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.641 -7.648 -12.211 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.778 -8.949 -13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.571 -9.099 -11.679 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.938 -9.730 -12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.161 -10.153 -13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.270 -12.044 -12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.350 -11.614 -12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.403 -11.204 -11.218 1.00 0.00 H new ATOM 1468 N THR A 95 -2.240 -4.971 -12.241 1.00 0.00 N ATOM 1469 CA THR A 95 -3.502 -4.443 -11.737 1.00 0.00 C ATOM 1470 C THR A 95 -3.603 -2.941 -11.972 1.00 0.00 C ATOM 1471 O THR A 95 -4.539 -2.464 -12.613 1.00 0.00 O ATOM 1472 CB THR A 95 -3.670 -4.729 -10.233 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.564 -6.135 -9.986 1.00 0.00 O ATOM 1474 CG2 THR A 95 -5.014 -4.221 -9.732 1.00 0.00 C ATOM 0 H THR A 95 -1.702 -5.502 -11.557 1.00 0.00 H new ATOM 0 HA THR A 95 -4.297 -4.947 -12.286 1.00 0.00 H new ATOM 0 HB THR A 95 -2.878 -4.206 -9.696 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.637 -6.359 -9.762 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.110 -4.434 -8.667 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.080 -3.145 -9.894 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.817 -4.719 -10.275 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.632 -2.198 -11.450 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.610 -0.749 -11.606 1.00 0.00 C ATOM 1484 C ALA A 96 -2.997 -0.344 -13.024 1.00 0.00 C ATOM 1485 O ALA A 96 -3.968 0.385 -13.227 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.235 -0.201 -11.255 1.00 0.00 C ATOM 0 H ALA A 96 -1.850 -2.576 -10.915 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.344 -0.323 -10.922 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.233 0.882 -11.376 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.997 -0.451 -10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.488 -0.641 -11.916 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.231 -0.820 -14.001 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.495 -0.504 -15.400 1.00 0.00 C ATOM 1494 C GLU A 97 -3.987 -0.593 -15.706 1.00 0.00 C ATOM 1495 O GLU A 97 -4.551 0.286 -16.357 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.718 -1.453 -16.315 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.211 -1.362 -16.148 1.00 0.00 C ATOM 1498 CD GLU A 97 0.542 -2.138 -17.211 1.00 0.00 C ATOM 1499 OE1 GLU A 97 0.778 -1.576 -18.301 1.00 0.00 O ATOM 1500 OE2 GLU A 97 0.895 -3.308 -16.953 1.00 0.00 O ATOM 0 H GLU A 97 -1.424 -1.425 -13.850 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.165 0.518 -15.584 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.036 -2.477 -16.117 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.974 -1.235 -17.352 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.092 -0.316 -16.184 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.065 -1.740 -15.164 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.620 -1.661 -15.231 1.00 0.00 N ATOM 1508 CA ALA A 98 -6.046 -1.864 -15.452 1.00 0.00 C ATOM 1509 C ALA A 98 -6.872 -0.823 -14.705 1.00 0.00 C ATOM 1510 O ALA A 98 -7.831 -0.272 -15.244 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.452 -3.267 -15.026 1.00 0.00 C ATOM 0 H ALA A 98 -4.167 -2.399 -14.691 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.242 -1.748 -16.518 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.520 -3.404 -15.197 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.894 -4.000 -15.609 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.233 -3.403 -13.967 1.00 0.00 H new