USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 579 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 35 LYS NZ :NH3+ 171:sc= 0.0747 (180deg=0) USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= -0.747 USER MOD Set 2.1: A 30 THR OG1 : rot -92:sc= -0.34 USER MOD Set 2.2: A 31 GLN : amide:sc= -2.74 K(o=-3.1,f=-7.2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -62:sc= 1.17 USER MOD Single : A 33 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.2!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.7 K(o=-1.7,f=-4.1) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-6!) USER MOD Single : A 50 ASN : amide:sc= 0.436 X(o=0.44,f=-0.0017) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -150:sc= -0.471 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0924) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N ARG A 16 3.934 13.923 0.457 1.00 0.00 N ATOM 168 CA ARG A 16 4.925 13.359 -0.452 1.00 0.00 C ATOM 169 C ARG A 16 5.272 11.926 -0.057 1.00 0.00 C ATOM 170 O ARG A 16 5.738 11.138 -0.881 1.00 0.00 O ATOM 171 CB ARG A 16 6.190 14.218 -0.458 1.00 0.00 C ATOM 172 CG ARG A 16 7.157 13.872 -1.578 1.00 0.00 C ATOM 173 CD ARG A 16 8.491 14.580 -1.403 1.00 0.00 C ATOM 174 NE ARG A 16 9.357 13.888 -0.452 1.00 0.00 N ATOM 175 CZ ARG A 16 9.908 12.703 -0.689 1.00 0.00 C ATOM 176 NH1 ARG A 16 9.685 12.082 -1.839 1.00 0.00 N ATOM 177 NH2 ARG A 16 10.685 12.137 0.226 1.00 0.00 N ATOM 0 HA ARG A 16 4.497 13.348 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.906 15.267 -0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.700 14.105 0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.317 12.794 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.719 14.151 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.994 14.649 -2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.318 15.600 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 16 9.549 14.339 0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.089 12.514 -2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.110 11.172 -2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.859 12.612 1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.108 11.227 0.044 1.00 0.00 H new ATOM 191 N THR A 17 5.041 11.594 1.209 1.00 0.00 N ATOM 192 CA THR A 17 5.330 10.258 1.715 1.00 0.00 C ATOM 193 C THR A 17 4.128 9.676 2.448 1.00 0.00 C ATOM 194 O THR A 17 4.276 9.017 3.477 1.00 0.00 O ATOM 195 CB THR A 17 6.542 10.267 2.665 1.00 0.00 C ATOM 196 OG1 THR A 17 6.328 11.208 3.723 1.00 0.00 O ATOM 197 CG2 THR A 17 7.817 10.623 1.914 1.00 0.00 C ATOM 0 H THR A 17 4.654 12.233 1.904 1.00 0.00 H new ATOM 0 HA THR A 17 5.561 9.636 0.850 1.00 0.00 H new ATOM 0 HB THR A 17 6.654 9.267 3.085 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.102 11.207 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.659 10.623 2.606 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.993 9.889 1.128 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.713 11.613 1.469 1.00 0.00 H new ATOM 205 N ALA A 18 2.937 9.922 1.912 1.00 0.00 N ATOM 206 CA ALA A 18 1.709 9.419 2.515 1.00 0.00 C ATOM 207 C ALA A 18 1.669 7.895 2.489 1.00 0.00 C ATOM 208 O ALA A 18 1.532 7.250 3.530 1.00 0.00 O ATOM 209 CB ALA A 18 0.496 9.993 1.799 1.00 0.00 C ATOM 0 H ALA A 18 2.797 10.467 1.061 1.00 0.00 H new ATOM 0 HA ALA A 18 1.687 9.739 3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.414 9.609 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.510 11.080 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.522 9.702 0.749 1.00 0.00 H new ATOM 215 N LEU A 19 1.789 7.325 1.296 1.00 0.00 N ATOM 216 CA LEU A 19 1.766 5.875 1.134 1.00 0.00 C ATOM 217 C LEU A 19 2.579 5.193 2.229 1.00 0.00 C ATOM 218 O LEU A 19 2.326 4.039 2.576 1.00 0.00 O ATOM 219 CB LEU A 19 2.313 5.487 -0.240 1.00 0.00 C ATOM 220 CG LEU A 19 1.928 6.405 -1.401 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.322 5.781 -2.730 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.436 6.704 -1.371 1.00 0.00 C ATOM 0 H LEU A 19 1.903 7.844 0.426 1.00 0.00 H new ATOM 0 HA LEU A 19 0.731 5.541 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.401 5.450 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.972 4.478 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 19 2.470 7.345 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.040 6.449 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.400 5.619 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.809 4.827 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.179 7.358 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.124 5.772 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.182 7.196 -0.432 1.00 0.00 H new ATOM 234 N TYR A 20 3.554 5.913 2.771 1.00 0.00 N ATOM 235 CA TYR A 20 4.404 5.377 3.828 1.00 0.00 C ATOM 236 C TYR A 20 3.719 5.484 5.186 1.00 0.00 C ATOM 237 O TYR A 20 3.509 4.481 5.869 1.00 0.00 O ATOM 238 CB TYR A 20 5.742 6.118 3.859 1.00 0.00 C ATOM 239 CG TYR A 20 6.473 6.105 2.536 1.00 0.00 C ATOM 240 CD1 TYR A 20 6.106 6.964 1.508 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.532 5.233 2.313 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.770 6.955 0.297 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.204 5.218 1.106 1.00 0.00 C ATOM 244 CZ TYR A 20 7.818 6.080 0.101 1.00 0.00 C ATOM 245 OH TYR A 20 8.484 6.069 -1.104 1.00 0.00 O ATOM 0 H TYR A 20 3.776 6.870 2.496 1.00 0.00 H new ATOM 0 HA TYR A 20 4.584 4.323 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.568 7.152 4.158 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.379 5.668 4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.287 7.651 1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.835 4.555 3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.470 7.629 -0.492 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.026 4.536 0.950 1.00 0.00 H new ATOM 0 HH TYR A 20 9.196 5.396 -1.078 1.00 0.00 H new ATOM 255 N ASP A 21 3.372 6.707 5.571 1.00 0.00 N ATOM 256 CA ASP A 21 2.708 6.947 6.847 1.00 0.00 C ATOM 257 C ASP A 21 1.537 5.988 7.040 1.00 0.00 C ATOM 258 O ASP A 21 1.192 5.632 8.167 1.00 0.00 O ATOM 259 CB ASP A 21 2.217 8.394 6.927 1.00 0.00 C ATOM 260 CG ASP A 21 1.048 8.557 7.878 1.00 0.00 C ATOM 261 OD1 ASP A 21 -0.007 7.934 7.634 1.00 0.00 O ATOM 262 OD2 ASP A 21 1.187 9.307 8.866 1.00 0.00 O ATOM 0 H ASP A 21 3.539 7.548 5.018 1.00 0.00 H new ATOM 0 HA ASP A 21 3.432 6.773 7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.037 9.035 7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.922 8.730 5.933 1.00 0.00 H new ATOM 267 N LEU A 22 0.930 5.575 5.933 1.00 0.00 N ATOM 268 CA LEU A 22 -0.204 4.658 5.980 1.00 0.00 C ATOM 269 C LEU A 22 0.206 3.315 6.575 1.00 0.00 C ATOM 270 O LEU A 22 -0.501 2.753 7.413 1.00 0.00 O ATOM 271 CB LEU A 22 -0.777 4.452 4.576 1.00 0.00 C ATOM 272 CG LEU A 22 -1.869 5.433 4.147 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.257 6.650 3.470 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.864 4.750 3.221 1.00 0.00 C ATOM 0 H LEU A 22 1.204 5.860 4.993 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.970 5.099 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.041 4.514 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.180 3.441 4.514 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.401 5.767 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.049 7.337 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.583 7.152 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.700 6.334 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.634 5.462 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.345 4.387 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.326 3.910 3.740 1.00 0.00 H new ATOM 286 N LEU A 23 1.354 2.806 6.140 1.00 0.00 N ATOM 287 CA LEU A 23 1.860 1.530 6.632 1.00 0.00 C ATOM 288 C LEU A 23 2.735 1.730 7.865 1.00 0.00 C ATOM 289 O LEU A 23 2.500 1.126 8.910 1.00 0.00 O ATOM 290 CB LEU A 23 2.657 0.819 5.537 1.00 0.00 C ATOM 291 CG LEU A 23 1.856 -0.097 4.611 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.759 0.684 3.905 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.773 -0.766 3.597 1.00 0.00 C ATOM 0 H LEU A 23 1.951 3.258 5.448 1.00 0.00 H new ATOM 0 HA LEU A 23 1.007 0.912 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.153 1.575 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.440 0.228 6.011 1.00 0.00 H new ATOM 0 HG LEU A 23 1.389 -0.874 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.200 0.015 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.085 1.115 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.205 1.483 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.185 -1.414 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.269 -0.004 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.522 -1.360 4.120 1.00 0.00 H new ATOM 305 N GLY A 24 3.746 2.585 7.735 1.00 0.00 N ATOM 306 CA GLY A 24 4.640 2.851 8.846 1.00 0.00 C ATOM 307 C GLY A 24 6.083 2.522 8.521 1.00 0.00 C ATOM 308 O GLY A 24 6.881 2.245 9.417 1.00 0.00 O ATOM 0 H GLY A 24 3.961 3.098 6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.564 3.902 9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.324 2.268 9.711 1.00 0.00 H new ATOM 312 N VAL A 25 6.421 2.552 7.236 1.00 0.00 N ATOM 313 CA VAL A 25 7.778 2.254 6.794 1.00 0.00 C ATOM 314 C VAL A 25 8.487 3.514 6.310 1.00 0.00 C ATOM 315 O VAL A 25 7.868 4.444 5.792 1.00 0.00 O ATOM 316 CB VAL A 25 7.784 1.208 5.664 1.00 0.00 C ATOM 317 CG1 VAL A 25 7.099 -0.072 6.117 1.00 0.00 C ATOM 318 CG2 VAL A 25 7.115 1.768 4.417 1.00 0.00 C ATOM 0 H VAL A 25 5.773 2.780 6.482 1.00 0.00 H new ATOM 0 HA VAL A 25 8.310 1.849 7.655 1.00 0.00 H new ATOM 0 HB VAL A 25 8.819 0.970 5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.113 -0.799 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.625 -0.481 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.067 0.145 6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.128 1.016 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.084 2.036 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.654 2.654 4.082 1.00 0.00 H new ATOM 328 N PRO A 26 9.817 3.547 6.481 1.00 0.00 N ATOM 329 CA PRO A 26 10.640 4.687 6.066 1.00 0.00 C ATOM 330 C PRO A 26 10.733 4.815 4.550 1.00 0.00 C ATOM 331 O PRO A 26 10.355 3.901 3.816 1.00 0.00 O ATOM 332 CB PRO A 26 12.013 4.368 6.661 1.00 0.00 C ATOM 333 CG PRO A 26 12.035 2.884 6.790 1.00 0.00 C ATOM 334 CD PRO A 26 10.620 2.474 7.091 1.00 0.00 C ATOM 0 HA PRO A 26 10.223 5.635 6.405 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.816 4.721 6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.147 4.851 7.629 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.389 2.418 5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.710 2.571 7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.383 1.501 6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.443 2.400 8.164 1.00 0.00 H new ATOM 342 N SER A 27 11.239 5.953 4.086 1.00 0.00 N ATOM 343 CA SER A 27 11.378 6.201 2.656 1.00 0.00 C ATOM 344 C SER A 27 12.357 5.214 2.026 1.00 0.00 C ATOM 345 O SER A 27 12.341 4.992 0.815 1.00 0.00 O ATOM 346 CB SER A 27 11.853 7.634 2.409 1.00 0.00 C ATOM 347 OG SER A 27 11.087 8.561 3.159 1.00 0.00 O ATOM 0 H SER A 27 11.560 6.718 4.680 1.00 0.00 H new ATOM 0 HA SER A 27 10.401 6.064 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.905 7.724 2.680 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.776 7.868 1.347 1.00 0.00 H new ATOM 0 HG SER A 27 11.411 9.469 2.985 1.00 0.00 H new ATOM 353 N THR A 28 13.209 4.623 2.858 1.00 0.00 N ATOM 354 CA THR A 28 14.196 3.660 2.385 1.00 0.00 C ATOM 355 C THR A 28 14.002 2.302 3.050 1.00 0.00 C ATOM 356 O THR A 28 14.955 1.544 3.223 1.00 0.00 O ATOM 357 CB THR A 28 15.631 4.150 2.653 1.00 0.00 C ATOM 358 OG1 THR A 28 16.575 3.187 2.171 1.00 0.00 O ATOM 359 CG2 THR A 28 15.854 4.386 4.140 1.00 0.00 C ATOM 0 H THR A 28 13.235 4.794 3.863 1.00 0.00 H new ATOM 0 HA THR A 28 14.049 3.559 1.310 1.00 0.00 H new ATOM 0 HB THR A 28 15.774 5.094 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.452 2.341 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.875 4.732 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.153 5.140 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.694 3.455 4.684 1.00 0.00 H new ATOM 367 N ALA A 29 12.761 2.001 3.419 1.00 0.00 N ATOM 368 CA ALA A 29 12.442 0.732 4.062 1.00 0.00 C ATOM 369 C ALA A 29 12.846 -0.446 3.183 1.00 0.00 C ATOM 370 O ALA A 29 13.358 -0.263 2.078 1.00 0.00 O ATOM 371 CB ALA A 29 10.958 0.665 4.390 1.00 0.00 C ATOM 0 H ALA A 29 11.960 2.618 3.284 1.00 0.00 H new ATOM 0 HA ALA A 29 13.011 0.670 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.734 -0.288 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.697 1.481 5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.378 0.754 3.471 1.00 0.00 H new ATOM 377 N THR A 30 12.612 -1.657 3.679 1.00 0.00 N ATOM 378 CA THR A 30 12.953 -2.865 2.939 1.00 0.00 C ATOM 379 C THR A 30 11.703 -3.659 2.577 1.00 0.00 C ATOM 380 O THR A 30 10.692 -3.593 3.275 1.00 0.00 O ATOM 381 CB THR A 30 13.905 -3.768 3.746 1.00 0.00 C ATOM 382 OG1 THR A 30 14.203 -4.955 3.002 1.00 0.00 O ATOM 383 CG2 THR A 30 13.289 -4.145 5.085 1.00 0.00 C ATOM 0 H THR A 30 12.187 -1.827 4.591 1.00 0.00 H new ATOM 0 HA THR A 30 13.454 -2.545 2.026 1.00 0.00 H new ATOM 0 HB THR A 30 14.825 -3.214 3.930 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.564 -5.659 3.240 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.980 -4.783 5.637 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.090 -3.241 5.661 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.355 -4.681 4.918 1.00 0.00 H new ATOM 391 N GLN A 31 11.781 -4.409 1.483 1.00 0.00 N ATOM 392 CA GLN A 31 10.654 -5.216 1.029 1.00 0.00 C ATOM 393 C GLN A 31 10.044 -6.000 2.187 1.00 0.00 C ATOM 394 O GLN A 31 8.827 -6.161 2.267 1.00 0.00 O ATOM 395 CB GLN A 31 11.100 -6.178 -0.074 1.00 0.00 C ATOM 396 CG GLN A 31 11.963 -7.323 0.429 1.00 0.00 C ATOM 397 CD GLN A 31 13.269 -6.847 1.035 1.00 0.00 C ATOM 398 OE1 GLN A 31 13.618 -7.217 2.156 1.00 0.00 O ATOM 399 NE2 GLN A 31 13.999 -6.022 0.294 1.00 0.00 N ATOM 0 H GLN A 31 12.612 -4.475 0.895 1.00 0.00 H new ATOM 0 HA GLN A 31 9.895 -4.543 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.218 -6.588 -0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.655 -5.620 -0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.407 -7.892 1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.176 -8.002 -0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.671 -5.741 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.888 -5.669 0.649 1.00 0.00 H new ATOM 408 N ALA A 32 10.899 -6.485 3.082 1.00 0.00 N ATOM 409 CA ALA A 32 10.444 -7.250 4.236 1.00 0.00 C ATOM 410 C ALA A 32 9.483 -6.433 5.092 1.00 0.00 C ATOM 411 O ALA A 32 8.540 -6.974 5.669 1.00 0.00 O ATOM 412 CB ALA A 32 11.633 -7.710 5.066 1.00 0.00 C ATOM 0 H ALA A 32 11.910 -6.361 3.030 1.00 0.00 H new ATOM 0 HA ALA A 32 9.908 -8.127 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.279 -8.280 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.281 -8.339 4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.192 -6.841 5.413 1.00 0.00 H new ATOM 418 N GLN A 33 9.729 -5.129 5.170 1.00 0.00 N ATOM 419 CA GLN A 33 8.885 -4.239 5.958 1.00 0.00 C ATOM 420 C GLN A 33 7.614 -3.878 5.195 1.00 0.00 C ATOM 421 O GLN A 33 6.509 -4.228 5.611 1.00 0.00 O ATOM 422 CB GLN A 33 9.652 -2.968 6.325 1.00 0.00 C ATOM 423 CG GLN A 33 10.807 -3.209 7.284 1.00 0.00 C ATOM 424 CD GLN A 33 11.618 -1.956 7.548 1.00 0.00 C ATOM 425 OE1 GLN A 33 12.846 -1.968 7.459 1.00 0.00 O ATOM 426 NE2 GLN A 33 10.934 -0.866 7.874 1.00 0.00 N ATOM 0 H GLN A 33 10.505 -4.666 4.697 1.00 0.00 H new ATOM 0 HA GLN A 33 8.602 -4.761 6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.037 -2.510 5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.961 -2.254 6.773 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.417 -3.590 8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.460 -3.980 6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.917 -0.902 7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.426 0.007 8.062 1.00 0.00 H new ATOM 435 N ILE A 34 7.779 -3.176 4.079 1.00 0.00 N ATOM 436 CA ILE A 34 6.645 -2.769 3.259 1.00 0.00 C ATOM 437 C ILE A 34 5.562 -3.842 3.247 1.00 0.00 C ATOM 438 O ILE A 34 4.369 -3.536 3.233 1.00 0.00 O ATOM 439 CB ILE A 34 7.075 -2.473 1.810 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.041 -1.287 1.774 1.00 0.00 C ATOM 441 CG2 ILE A 34 5.857 -2.198 0.941 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.709 -1.093 0.431 1.00 0.00 C ATOM 0 H ILE A 34 8.687 -2.877 3.722 1.00 0.00 H new ATOM 0 HA ILE A 34 6.245 -1.858 3.704 1.00 0.00 H new ATOM 0 HB ILE A 34 7.589 -3.348 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.498 -0.379 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.808 -1.430 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.178 -1.991 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.202 -3.070 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.317 -1.336 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.380 -0.235 0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.280 -1.986 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.950 -0.918 -0.331 1.00 0.00 H new ATOM 454 N LYS A 35 5.984 -5.101 3.254 1.00 0.00 N ATOM 455 CA LYS A 35 5.051 -6.222 3.247 1.00 0.00 C ATOM 456 C LYS A 35 4.451 -6.439 4.632 1.00 0.00 C ATOM 457 O LYS A 35 3.236 -6.366 4.811 1.00 0.00 O ATOM 458 CB LYS A 35 5.757 -7.497 2.780 1.00 0.00 C ATOM 459 CG LYS A 35 4.809 -8.651 2.505 1.00 0.00 C ATOM 460 CD LYS A 35 5.564 -9.918 2.141 1.00 0.00 C ATOM 461 CE LYS A 35 4.739 -10.818 1.233 1.00 0.00 C ATOM 462 NZ LYS A 35 4.831 -10.401 -0.193 1.00 0.00 N ATOM 0 H LYS A 35 6.967 -5.372 3.265 1.00 0.00 H new ATOM 0 HA LYS A 35 4.244 -5.986 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.322 -7.278 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.477 -7.802 3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.192 -8.834 3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.134 -8.383 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.498 -9.656 1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.827 -10.459 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.082 -11.848 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.697 -10.797 1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.384 -11.122 -0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.343 -9.492 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.831 -10.298 -0.461 1.00 0.00 H new ATOM 476 N ALA A 36 5.311 -6.703 5.610 1.00 0.00 N ATOM 477 CA ALA A 36 4.866 -6.927 6.980 1.00 0.00 C ATOM 478 C ALA A 36 3.882 -5.847 7.420 1.00 0.00 C ATOM 479 O ALA A 36 2.955 -6.114 8.184 1.00 0.00 O ATOM 480 CB ALA A 36 6.059 -6.972 7.923 1.00 0.00 C ATOM 0 H ALA A 36 6.321 -6.767 5.479 1.00 0.00 H new ATOM 0 HA ALA A 36 4.353 -7.888 7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.711 -7.140 8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.725 -7.783 7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.597 -6.025 7.875 1.00 0.00 H new ATOM 486 N ALA A 37 4.092 -4.628 6.934 1.00 0.00 N ATOM 487 CA ALA A 37 3.223 -3.509 7.277 1.00 0.00 C ATOM 488 C ALA A 37 1.817 -3.717 6.724 1.00 0.00 C ATOM 489 O ALA A 37 0.871 -3.948 7.477 1.00 0.00 O ATOM 490 CB ALA A 37 3.811 -2.206 6.756 1.00 0.00 C ATOM 0 H ALA A 37 4.856 -4.390 6.302 1.00 0.00 H new ATOM 0 HA ALA A 37 3.153 -3.454 8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.152 -1.379 7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.792 -2.045 7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.911 -2.260 5.672 1.00 0.00 H new ATOM 496 N TYR A 38 1.687 -3.632 5.405 1.00 0.00 N ATOM 497 CA TYR A 38 0.395 -3.807 4.751 1.00 0.00 C ATOM 498 C TYR A 38 -0.399 -4.931 5.408 1.00 0.00 C ATOM 499 O TYR A 38 -1.629 -4.951 5.354 1.00 0.00 O ATOM 500 CB TYR A 38 0.589 -4.106 3.264 1.00 0.00 C ATOM 501 CG TYR A 38 -0.666 -4.594 2.576 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.603 -3.696 2.079 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.914 -5.952 2.423 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.751 -4.138 1.450 1.00 0.00 C ATOM 505 CE2 TYR A 38 -2.059 -6.403 1.795 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.974 -5.492 1.310 1.00 0.00 C ATOM 507 OH TYR A 38 -4.117 -5.936 0.685 1.00 0.00 O ATOM 0 H TYR A 38 2.460 -3.443 4.767 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.167 -2.879 4.857 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.940 -3.204 2.763 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.370 -4.858 3.152 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.431 -2.635 2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.199 -6.668 2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.470 -3.427 1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.237 -7.463 1.685 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.121 -6.916 0.668 1.00 0.00 H new ATOM 517 N TYR A 39 0.312 -5.865 6.029 1.00 0.00 N ATOM 518 CA TYR A 39 -0.325 -6.994 6.696 1.00 0.00 C ATOM 519 C TYR A 39 -0.882 -6.581 8.054 1.00 0.00 C ATOM 520 O TYR A 39 -2.096 -6.489 8.238 1.00 0.00 O ATOM 521 CB TYR A 39 0.673 -8.141 6.869 1.00 0.00 C ATOM 522 CG TYR A 39 0.772 -9.045 5.661 1.00 0.00 C ATOM 523 CD1 TYR A 39 -0.370 -9.557 5.057 1.00 0.00 C ATOM 524 CD2 TYR A 39 2.007 -9.389 5.125 1.00 0.00 C ATOM 525 CE1 TYR A 39 -0.285 -10.384 3.954 1.00 0.00 C ATOM 526 CE2 TYR A 39 2.101 -10.214 4.021 1.00 0.00 C ATOM 527 CZ TYR A 39 0.953 -10.709 3.439 1.00 0.00 C ATOM 528 OH TYR A 39 1.043 -11.533 2.341 1.00 0.00 O ATOM 0 H TYR A 39 1.330 -5.863 6.084 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.152 -7.332 6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.658 -7.725 7.083 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.383 -8.736 7.735 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.341 -9.304 5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.908 -9.005 5.579 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.183 -10.774 3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.069 -10.470 3.616 1.00 0.00 H new ATOM 0 HH TYR A 39 0.247 -11.419 1.780 1.00 0.00 H new ATOM 538 N ARG A 40 0.014 -6.333 9.004 1.00 0.00 N ATOM 539 CA ARG A 40 -0.387 -5.930 10.346 1.00 0.00 C ATOM 540 C ARG A 40 -1.492 -4.879 10.291 1.00 0.00 C ATOM 541 O ARG A 40 -2.277 -4.741 11.229 1.00 0.00 O ATOM 542 CB ARG A 40 0.815 -5.382 11.118 1.00 0.00 C ATOM 543 CG ARG A 40 1.322 -4.050 10.590 1.00 0.00 C ATOM 544 CD ARG A 40 2.162 -3.323 11.628 1.00 0.00 C ATOM 545 NE ARG A 40 2.512 -1.971 11.200 1.00 0.00 N ATOM 546 CZ ARG A 40 2.984 -1.039 12.021 1.00 0.00 C ATOM 547 NH1 ARG A 40 3.162 -1.312 13.306 1.00 0.00 N ATOM 548 NH2 ARG A 40 3.279 0.168 11.556 1.00 0.00 N ATOM 0 H ARG A 40 1.022 -6.404 8.869 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.771 -6.810 10.862 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.541 -5.267 12.167 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.625 -6.111 11.078 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.916 -4.216 9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.476 -3.426 10.303 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.614 -3.275 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.073 -3.890 11.819 1.00 0.00 H new ATOM 0 HE ARG A 40 2.387 -1.729 10.217 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.937 -2.239 13.666 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.524 -0.595 13.934 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.143 0.381 10.568 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.641 0.883 12.187 1.00 0.00 H new ATOM 562 N GLN A 41 -1.545 -4.141 9.187 1.00 0.00 N ATOM 563 CA GLN A 41 -2.552 -3.101 9.012 1.00 0.00 C ATOM 564 C GLN A 41 -3.950 -3.706 8.934 1.00 0.00 C ATOM 565 O GLN A 41 -4.853 -3.302 9.669 1.00 0.00 O ATOM 566 CB GLN A 41 -2.264 -2.291 7.747 1.00 0.00 C ATOM 567 CG GLN A 41 -1.150 -1.270 7.919 1.00 0.00 C ATOM 568 CD GLN A 41 -1.263 -0.497 9.218 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.330 0.016 9.558 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.160 -0.408 9.952 1.00 0.00 N ATOM 0 H GLN A 41 -0.903 -4.244 8.401 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.509 -2.439 9.877 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.998 -2.974 6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.174 -1.775 7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.187 -1.780 7.886 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.170 -0.572 7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.703 -0.849 9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.175 0.101 10.836 1.00 0.00 H new ATOM 579 N CYS A 42 -4.122 -4.674 8.042 1.00 0.00 N ATOM 580 CA CYS A 42 -5.411 -5.334 7.868 1.00 0.00 C ATOM 581 C CYS A 42 -6.082 -5.580 9.215 1.00 0.00 C ATOM 582 O CYS A 42 -7.263 -5.280 9.396 1.00 0.00 O ATOM 583 CB CYS A 42 -5.233 -6.659 7.124 1.00 0.00 C ATOM 584 SG CYS A 42 -6.757 -7.617 6.949 1.00 0.00 S ATOM 0 H CYS A 42 -3.385 -5.020 7.427 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.051 -4.677 7.278 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.829 -6.455 6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.495 -7.263 7.651 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.506 -8.718 6.306 1.00 0.00 H new ATOM 590 N PHE A 43 -5.323 -6.128 10.157 1.00 0.00 N ATOM 591 CA PHE A 43 -5.844 -6.417 11.488 1.00 0.00 C ATOM 592 C PHE A 43 -6.594 -5.214 12.051 1.00 0.00 C ATOM 593 O PHE A 43 -7.794 -5.286 12.320 1.00 0.00 O ATOM 594 CB PHE A 43 -4.705 -6.810 12.431 1.00 0.00 C ATOM 595 CG PHE A 43 -5.125 -6.903 13.871 1.00 0.00 C ATOM 596 CD1 PHE A 43 -5.066 -5.793 14.697 1.00 0.00 C ATOM 597 CD2 PHE A 43 -5.577 -8.102 14.398 1.00 0.00 C ATOM 598 CE1 PHE A 43 -5.451 -5.875 16.022 1.00 0.00 C ATOM 599 CE2 PHE A 43 -5.964 -8.191 15.721 1.00 0.00 C ATOM 600 CZ PHE A 43 -5.900 -7.077 16.535 1.00 0.00 C ATOM 0 H PHE A 43 -4.344 -6.381 10.024 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.541 -7.251 11.405 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.299 -7.771 12.116 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.901 -6.079 12.342 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.715 -4.852 14.301 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.627 -8.977 13.767 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.401 -5.001 16.655 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.316 -9.131 16.119 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.200 -7.145 17.570 1.00 0.00 H new ATOM 610 N LEU A 44 -5.879 -4.108 12.228 1.00 0.00 N ATOM 611 CA LEU A 44 -6.476 -2.888 12.759 1.00 0.00 C ATOM 612 C LEU A 44 -7.915 -2.731 12.279 1.00 0.00 C ATOM 613 O LEU A 44 -8.824 -2.496 13.075 1.00 0.00 O ATOM 614 CB LEU A 44 -5.650 -1.669 12.342 1.00 0.00 C ATOM 615 CG LEU A 44 -4.292 -1.512 13.027 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.308 -0.808 12.106 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.440 -0.749 14.335 1.00 0.00 C ATOM 0 H LEU A 44 -4.885 -4.031 12.011 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.482 -2.960 13.847 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.488 -1.716 11.265 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.239 -0.772 12.537 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.902 -2.505 13.251 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.347 -0.705 12.610 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.179 -1.393 11.196 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.691 0.180 11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.464 -0.647 14.809 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.852 0.240 14.135 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.111 -1.293 15.000 1.00 0.00 H new ATOM 629 N TYR A 45 -8.114 -2.863 10.972 1.00 0.00 N ATOM 630 CA TYR A 45 -9.442 -2.736 10.385 1.00 0.00 C ATOM 631 C TYR A 45 -9.872 -4.040 9.720 1.00 0.00 C ATOM 632 O TYR A 45 -9.810 -4.178 8.498 1.00 0.00 O ATOM 633 CB TYR A 45 -9.464 -1.599 9.362 1.00 0.00 C ATOM 634 CG TYR A 45 -8.975 -0.279 9.914 1.00 0.00 C ATOM 635 CD1 TYR A 45 -7.622 0.040 9.912 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.866 0.651 10.436 1.00 0.00 C ATOM 637 CE1 TYR A 45 -7.171 1.244 10.416 1.00 0.00 C ATOM 638 CE2 TYR A 45 -9.424 1.859 10.940 1.00 0.00 C ATOM 639 CZ TYR A 45 -8.076 2.150 10.929 1.00 0.00 C ATOM 640 OH TYR A 45 -7.631 3.352 11.430 1.00 0.00 O ATOM 0 H TYR A 45 -7.372 -3.058 10.299 1.00 0.00 H new ATOM 0 HA TYR A 45 -10.145 -2.509 11.187 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.846 -1.878 8.508 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.482 -1.474 8.992 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.911 -0.666 9.509 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.922 0.426 10.448 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.116 1.475 10.409 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.130 2.571 11.340 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.395 3.875 11.751 1.00 0.00 H new ATOM 650 N HIS A 46 -10.307 -4.996 10.535 1.00 0.00 N ATOM 651 CA HIS A 46 -10.749 -6.290 10.028 1.00 0.00 C ATOM 652 C HIS A 46 -12.024 -6.144 9.203 1.00 0.00 C ATOM 653 O HIS A 46 -12.924 -5.373 9.537 1.00 0.00 O ATOM 654 CB HIS A 46 -10.985 -7.262 11.185 1.00 0.00 C ATOM 655 CG HIS A 46 -10.735 -8.694 10.825 1.00 0.00 C ATOM 656 ND1 HIS A 46 -11.714 -9.663 10.871 1.00 0.00 N ATOM 657 CD2 HIS A 46 -9.608 -9.319 10.409 1.00 0.00 C ATOM 658 CE1 HIS A 46 -11.200 -10.823 10.501 1.00 0.00 C ATOM 659 NE2 HIS A 46 -9.924 -10.641 10.215 1.00 0.00 N ATOM 0 H HIS A 46 -10.363 -4.899 11.549 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.964 -6.687 9.384 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -10.337 -6.987 12.018 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.013 -7.157 11.533 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.641 -8.863 10.258 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -11.733 -11.760 10.443 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.278 -11.365 9.901 1.00 0.00 H new ATOM 667 N PRO A 47 -12.106 -6.902 8.099 1.00 0.00 N ATOM 668 CA PRO A 47 -13.266 -6.874 7.204 1.00 0.00 C ATOM 669 C PRO A 47 -14.504 -7.496 7.840 1.00 0.00 C ATOM 670 O PRO A 47 -15.591 -7.469 7.262 1.00 0.00 O ATOM 671 CB PRO A 47 -12.808 -7.705 6.003 1.00 0.00 C ATOM 672 CG PRO A 47 -11.762 -8.614 6.549 1.00 0.00 C ATOM 673 CD PRO A 47 -11.071 -7.844 7.640 1.00 0.00 C ATOM 0 HA PRO A 47 -13.559 -5.856 6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.636 -8.268 5.572 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -12.408 -7.071 5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.206 -9.530 6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.056 -8.908 5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.738 -8.499 8.445 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.189 -7.322 7.268 1.00 0.00 H new ATOM 681 N ASP A 48 -14.333 -8.055 9.033 1.00 0.00 N ATOM 682 CA ASP A 48 -15.438 -8.682 9.749 1.00 0.00 C ATOM 683 C ASP A 48 -15.888 -7.816 10.921 1.00 0.00 C ATOM 684 O ASP A 48 -17.054 -7.428 11.007 1.00 0.00 O ATOM 685 CB ASP A 48 -15.027 -10.067 10.252 1.00 0.00 C ATOM 686 CG ASP A 48 -15.758 -10.464 11.519 1.00 0.00 C ATOM 687 OD1 ASP A 48 -16.920 -10.909 11.420 1.00 0.00 O ATOM 688 OD2 ASP A 48 -15.167 -10.330 12.611 1.00 0.00 O ATOM 0 H ASP A 48 -13.440 -8.087 9.525 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.273 -8.788 9.057 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.225 -10.806 9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.953 -10.079 10.437 1.00 0.00 H new ATOM 693 N ARG A 49 -14.958 -7.516 11.821 1.00 0.00 N ATOM 694 CA ARG A 49 -15.260 -6.698 12.989 1.00 0.00 C ATOM 695 C ARG A 49 -16.086 -5.476 12.598 1.00 0.00 C ATOM 696 O ARG A 49 -17.111 -5.185 13.213 1.00 0.00 O ATOM 697 CB ARG A 49 -13.966 -6.253 13.675 1.00 0.00 C ATOM 698 CG ARG A 49 -13.346 -7.324 14.557 1.00 0.00 C ATOM 699 CD ARG A 49 -14.071 -7.437 15.889 1.00 0.00 C ATOM 700 NE ARG A 49 -13.772 -6.315 16.773 1.00 0.00 N ATOM 701 CZ ARG A 49 -14.417 -6.082 17.911 1.00 0.00 C ATOM 702 NH1 ARG A 49 -15.394 -6.890 18.300 1.00 0.00 N ATOM 703 NH2 ARG A 49 -14.087 -5.039 18.661 1.00 0.00 N ATOM 0 H ARG A 49 -13.988 -7.827 11.764 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.843 -7.303 13.684 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.244 -5.958 12.914 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.170 -5.369 14.280 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.377 -8.284 14.042 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.296 -7.090 14.732 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.146 -7.483 15.714 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.787 -8.369 16.378 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.026 -5.674 16.502 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.652 -7.692 17.725 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.888 -6.709 19.174 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.337 -4.414 18.364 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.583 -4.861 19.534 1.00 0.00 H new ATOM 717 N ASN A 50 -15.632 -4.765 11.570 1.00 0.00 N ATOM 718 CA ASN A 50 -16.330 -3.575 11.098 1.00 0.00 C ATOM 719 C ASN A 50 -17.399 -3.941 10.073 1.00 0.00 C ATOM 720 O ASN A 50 -17.114 -4.070 8.882 1.00 0.00 O ATOM 721 CB ASN A 50 -15.336 -2.587 10.483 1.00 0.00 C ATOM 722 CG ASN A 50 -14.147 -2.325 11.387 1.00 0.00 C ATOM 723 OD1 ASN A 50 -14.099 -1.316 12.091 1.00 0.00 O ATOM 724 ND2 ASN A 50 -13.180 -3.235 11.372 1.00 0.00 N ATOM 0 H ASN A 50 -14.785 -4.992 11.049 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.817 -3.107 11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.984 -2.977 9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.845 -1.646 10.275 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.355 -3.113 11.960 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.262 -4.056 10.773 1.00 0.00 H new ATOM 731 N SER A 51 -18.630 -4.107 10.545 1.00 0.00 N ATOM 732 CA SER A 51 -19.742 -4.462 9.671 1.00 0.00 C ATOM 733 C SER A 51 -20.159 -3.273 8.811 1.00 0.00 C ATOM 734 O SER A 51 -20.520 -2.216 9.327 1.00 0.00 O ATOM 735 CB SER A 51 -20.934 -4.949 10.498 1.00 0.00 C ATOM 736 OG SER A 51 -20.595 -6.102 11.250 1.00 0.00 O ATOM 0 H SER A 51 -18.883 -4.001 11.528 1.00 0.00 H new ATOM 0 HA SER A 51 -19.411 -5.266 9.014 1.00 0.00 H new ATOM 0 HB2 SER A 51 -21.263 -4.156 11.170 1.00 0.00 H new ATOM 0 HB3 SER A 51 -21.771 -5.175 9.837 1.00 0.00 H new ATOM 0 HG SER A 51 -21.372 -6.393 11.771 1.00 0.00 H new ATOM 742 N GLY A 52 -20.104 -3.454 7.495 1.00 0.00 N ATOM 743 CA GLY A 52 -20.478 -2.388 6.583 1.00 0.00 C ATOM 744 C GLY A 52 -20.107 -1.017 7.111 1.00 0.00 C ATOM 745 O GLY A 52 -20.976 -0.174 7.334 1.00 0.00 O ATOM 0 H GLY A 52 -19.807 -4.319 7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -19.990 -2.548 5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -21.553 -2.427 6.405 1.00 0.00 H new ATOM 749 N SER A 53 -18.812 -0.793 7.314 1.00 0.00 N ATOM 750 CA SER A 53 -18.329 0.485 7.825 1.00 0.00 C ATOM 751 C SER A 53 -17.948 1.419 6.681 1.00 0.00 C ATOM 752 O SER A 53 -16.882 1.281 6.081 1.00 0.00 O ATOM 753 CB SER A 53 -17.124 0.267 8.743 1.00 0.00 C ATOM 754 OG SER A 53 -17.538 -0.048 10.062 1.00 0.00 O ATOM 0 H SER A 53 -18.079 -1.479 7.133 1.00 0.00 H new ATOM 0 HA SER A 53 -19.134 0.948 8.396 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.505 -0.540 8.350 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.506 1.165 8.757 1.00 0.00 H new ATOM 0 HG SER A 53 -16.868 0.273 10.701 1.00 0.00 H new ATOM 760 N ALA A 54 -18.828 2.369 6.383 1.00 0.00 N ATOM 761 CA ALA A 54 -18.585 3.327 5.312 1.00 0.00 C ATOM 762 C ALA A 54 -17.294 4.104 5.553 1.00 0.00 C ATOM 763 O ALA A 54 -16.463 4.236 4.656 1.00 0.00 O ATOM 764 CB ALA A 54 -19.761 4.283 5.182 1.00 0.00 C ATOM 0 H ALA A 54 -19.716 2.496 6.869 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.477 2.772 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -19.566 4.993 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -20.666 3.718 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -19.896 4.824 6.119 1.00 0.00 H new ATOM 770 N GLU A 55 -17.136 4.616 6.770 1.00 0.00 N ATOM 771 CA GLU A 55 -15.946 5.381 7.127 1.00 0.00 C ATOM 772 C GLU A 55 -14.685 4.543 6.940 1.00 0.00 C ATOM 773 O GLU A 55 -13.891 4.790 6.033 1.00 0.00 O ATOM 774 CB GLU A 55 -16.041 5.866 8.575 1.00 0.00 C ATOM 775 CG GLU A 55 -17.068 6.966 8.783 1.00 0.00 C ATOM 776 CD GLU A 55 -16.593 8.311 8.270 1.00 0.00 C ATOM 777 OE1 GLU A 55 -15.412 8.649 8.495 1.00 0.00 O ATOM 778 OE2 GLU A 55 -17.402 9.027 7.643 1.00 0.00 O ATOM 0 H GLU A 55 -17.816 4.515 7.524 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.888 6.245 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.291 5.021 9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.063 6.229 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.994 6.694 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.298 7.047 9.845 1.00 0.00 H new ATOM 785 N ALA A 56 -14.506 3.551 7.807 1.00 0.00 N ATOM 786 CA ALA A 56 -13.343 2.676 7.738 1.00 0.00 C ATOM 787 C ALA A 56 -13.041 2.277 6.298 1.00 0.00 C ATOM 788 O ALA A 56 -11.902 2.374 5.842 1.00 0.00 O ATOM 789 CB ALA A 56 -13.562 1.439 8.596 1.00 0.00 C ATOM 0 H ALA A 56 -15.152 3.334 8.566 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.483 3.224 8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.685 0.794 8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.721 1.738 9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.437 0.897 8.237 1.00 0.00 H new ATOM 795 N ALA A 57 -14.069 1.827 5.585 1.00 0.00 N ATOM 796 CA ALA A 57 -13.913 1.414 4.196 1.00 0.00 C ATOM 797 C ALA A 57 -12.927 2.317 3.462 1.00 0.00 C ATOM 798 O ALA A 57 -11.942 1.844 2.898 1.00 0.00 O ATOM 799 CB ALA A 57 -15.261 1.418 3.490 1.00 0.00 C ATOM 0 H ALA A 57 -15.019 1.739 5.947 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.513 0.400 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.130 1.108 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.937 0.727 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.683 2.423 3.517 1.00 0.00 H new ATOM 805 N GLU A 58 -13.201 3.617 3.475 1.00 0.00 N ATOM 806 CA GLU A 58 -12.337 4.585 2.808 1.00 0.00 C ATOM 807 C GLU A 58 -10.866 4.240 3.022 1.00 0.00 C ATOM 808 O GLU A 58 -10.135 3.974 2.069 1.00 0.00 O ATOM 809 CB GLU A 58 -12.621 5.997 3.325 1.00 0.00 C ATOM 810 CG GLU A 58 -14.074 6.417 3.180 1.00 0.00 C ATOM 811 CD GLU A 58 -14.240 7.921 3.086 1.00 0.00 C ATOM 812 OE1 GLU A 58 -14.365 8.573 4.144 1.00 0.00 O ATOM 813 OE2 GLU A 58 -14.243 8.448 1.953 1.00 0.00 O ATOM 0 H GLU A 58 -14.013 4.024 3.939 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.550 4.547 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.338 6.054 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.991 6.705 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.495 5.952 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.643 6.045 4.032 1.00 0.00 H new ATOM 820 N ARG A 59 -10.440 4.247 4.281 1.00 0.00 N ATOM 821 CA ARG A 59 -9.057 3.936 4.622 1.00 0.00 C ATOM 822 C ARG A 59 -8.609 2.642 3.949 1.00 0.00 C ATOM 823 O ARG A 59 -7.638 2.627 3.192 1.00 0.00 O ATOM 824 CB ARG A 59 -8.897 3.817 6.138 1.00 0.00 C ATOM 825 CG ARG A 59 -7.516 4.211 6.638 1.00 0.00 C ATOM 826 CD ARG A 59 -7.437 4.159 8.155 1.00 0.00 C ATOM 827 NE ARG A 59 -8.003 5.354 8.775 1.00 0.00 N ATOM 828 CZ ARG A 59 -7.335 6.493 8.919 1.00 0.00 C ATOM 829 NH1 ARG A 59 -6.084 6.591 8.490 1.00 0.00 N ATOM 830 NH2 ARG A 59 -7.918 7.538 9.493 1.00 0.00 N ATOM 0 H ARG A 59 -11.033 4.465 5.082 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.428 4.750 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.643 4.446 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.103 2.789 6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.769 3.542 6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.277 5.217 6.294 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.968 3.278 8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.396 4.051 8.460 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.963 5.312 9.116 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.632 5.790 8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.574 7.467 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.880 7.467 9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.404 8.412 9.603 1.00 0.00 H new ATOM 844 N PHE A 60 -9.323 1.557 4.230 1.00 0.00 N ATOM 845 CA PHE A 60 -8.998 0.258 3.654 1.00 0.00 C ATOM 846 C PHE A 60 -8.615 0.395 2.183 1.00 0.00 C ATOM 847 O PHE A 60 -7.625 -0.181 1.730 1.00 0.00 O ATOM 848 CB PHE A 60 -10.185 -0.698 3.796 1.00 0.00 C ATOM 849 CG PHE A 60 -9.793 -2.148 3.777 1.00 0.00 C ATOM 850 CD1 PHE A 60 -9.198 -2.732 4.884 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.019 -2.925 2.653 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.836 -4.066 4.870 1.00 0.00 C ATOM 853 CE2 PHE A 60 -9.660 -4.260 2.634 1.00 0.00 C ATOM 854 CZ PHE A 60 -9.067 -4.831 3.743 1.00 0.00 C ATOM 0 H PHE A 60 -10.130 1.552 4.853 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.145 -0.149 4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.705 -0.483 4.730 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.891 -0.510 2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.015 -2.138 5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.481 -2.483 1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.373 -4.510 5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.843 -4.856 1.752 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.784 -5.873 3.729 1.00 0.00 H new ATOM 864 N THR A 61 -9.407 1.163 1.441 1.00 0.00 N ATOM 865 CA THR A 61 -9.154 1.375 0.021 1.00 0.00 C ATOM 866 C THR A 61 -7.767 1.967 -0.207 1.00 0.00 C ATOM 867 O THR A 61 -6.966 1.420 -0.964 1.00 0.00 O ATOM 868 CB THR A 61 -10.207 2.309 -0.604 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.510 1.727 -0.485 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.895 2.572 -2.069 1.00 0.00 C ATOM 0 H THR A 61 -10.229 1.649 1.800 1.00 0.00 H new ATOM 0 HA THR A 61 -9.214 0.399 -0.460 1.00 0.00 H new ATOM 0 HB THR A 61 -10.183 3.258 -0.068 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.174 2.328 -0.883 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.652 3.234 -2.489 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.915 3.042 -2.154 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.894 1.629 -2.616 1.00 0.00 H new ATOM 878 N ARG A 62 -7.491 3.087 0.454 1.00 0.00 N ATOM 879 CA ARG A 62 -6.201 3.752 0.322 1.00 0.00 C ATOM 880 C ARG A 62 -5.060 2.802 0.674 1.00 0.00 C ATOM 881 O ARG A 62 -4.133 2.610 -0.114 1.00 0.00 O ATOM 882 CB ARG A 62 -6.146 4.988 1.222 1.00 0.00 C ATOM 883 CG ARG A 62 -6.632 6.258 0.543 1.00 0.00 C ATOM 884 CD ARG A 62 -6.038 7.499 1.192 1.00 0.00 C ATOM 885 NE ARG A 62 -4.685 7.771 0.716 1.00 0.00 N ATOM 886 CZ ARG A 62 -4.412 8.236 -0.498 1.00 0.00 C ATOM 887 NH1 ARG A 62 -5.395 8.479 -1.354 1.00 0.00 N ATOM 888 NH2 ARG A 62 -3.154 8.458 -0.857 1.00 0.00 N ATOM 0 H ARG A 62 -8.143 3.552 1.086 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.085 4.062 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.751 4.807 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.120 5.136 1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.362 6.234 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.720 6.305 0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.675 8.358 0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.022 7.370 2.274 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.906 7.594 1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.363 8.309 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.183 8.836 -2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.396 8.272 -0.201 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.945 8.815 -1.789 1.00 0.00 H new ATOM 902 N ILE A 63 -5.134 2.212 1.863 1.00 0.00 N ATOM 903 CA ILE A 63 -4.109 1.282 2.319 1.00 0.00 C ATOM 904 C ILE A 63 -3.590 0.428 1.167 1.00 0.00 C ATOM 905 O ILE A 63 -2.383 0.349 0.934 1.00 0.00 O ATOM 906 CB ILE A 63 -4.641 0.357 3.429 1.00 0.00 C ATOM 907 CG1 ILE A 63 -5.055 1.178 4.652 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.590 -0.675 3.808 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.702 0.353 5.743 1.00 0.00 C ATOM 0 H ILE A 63 -5.893 2.362 2.527 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.293 1.884 2.719 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.519 -0.169 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.176 1.678 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.748 1.958 4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.981 -1.321 4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.339 -1.277 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.695 -0.168 4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.969 1.000 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.600 -0.126 5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.003 -0.410 6.085 1.00 0.00 H new ATOM 921 N SER A 64 -4.509 -0.208 0.448 1.00 0.00 N ATOM 922 CA SER A 64 -4.144 -1.058 -0.680 1.00 0.00 C ATOM 923 C SER A 64 -3.184 -0.333 -1.618 1.00 0.00 C ATOM 924 O SER A 64 -2.176 -0.894 -2.045 1.00 0.00 O ATOM 925 CB SER A 64 -5.395 -1.491 -1.446 1.00 0.00 C ATOM 926 OG SER A 64 -5.930 -2.690 -0.913 1.00 0.00 O ATOM 0 H SER A 64 -5.512 -0.151 0.626 1.00 0.00 H new ATOM 0 HA SER A 64 -3.643 -1.943 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.145 -0.702 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.149 -1.635 -2.498 1.00 0.00 H new ATOM 0 HG SER A 64 -6.730 -2.945 -1.419 1.00 0.00 H new ATOM 932 N GLN A 65 -3.507 0.917 -1.934 1.00 0.00 N ATOM 933 CA GLN A 65 -2.675 1.719 -2.823 1.00 0.00 C ATOM 934 C GLN A 65 -1.224 1.722 -2.354 1.00 0.00 C ATOM 935 O GLN A 65 -0.307 1.470 -3.136 1.00 0.00 O ATOM 936 CB GLN A 65 -3.203 3.152 -2.895 1.00 0.00 C ATOM 937 CG GLN A 65 -4.669 3.241 -3.288 1.00 0.00 C ATOM 938 CD GLN A 65 -4.997 4.521 -4.031 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.103 5.266 -4.434 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.286 4.784 -4.218 1.00 0.00 N ATOM 0 H GLN A 65 -4.338 1.396 -1.588 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.716 1.274 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.066 3.630 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.608 3.714 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.926 2.386 -3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.286 3.177 -2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.994 4.139 -3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.567 5.631 -4.712 1.00 0.00 H new ATOM 949 N ALA A 66 -1.022 2.010 -1.072 1.00 0.00 N ATOM 950 CA ALA A 66 0.317 2.045 -0.498 1.00 0.00 C ATOM 951 C ALA A 66 1.094 0.778 -0.841 1.00 0.00 C ATOM 952 O ALA A 66 2.322 0.797 -0.933 1.00 0.00 O ATOM 953 CB ALA A 66 0.241 2.228 1.010 1.00 0.00 C ATOM 0 H ALA A 66 -1.769 2.222 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 66 0.848 2.894 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.249 2.252 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.268 3.165 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.312 1.398 1.450 1.00 0.00 H new ATOM 959 N TYR A 67 0.372 -0.321 -1.027 1.00 0.00 N ATOM 960 CA TYR A 67 0.994 -1.598 -1.356 1.00 0.00 C ATOM 961 C TYR A 67 1.038 -1.809 -2.866 1.00 0.00 C ATOM 962 O TYR A 67 1.039 -2.942 -3.347 1.00 0.00 O ATOM 963 CB TYR A 67 0.234 -2.746 -0.691 1.00 0.00 C ATOM 964 CG TYR A 67 1.044 -4.016 -0.564 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.332 -3.992 -0.043 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.523 -5.240 -0.966 1.00 0.00 C ATOM 967 CE1 TYR A 67 3.077 -5.149 0.075 1.00 0.00 C ATOM 968 CE2 TYR A 67 1.260 -6.402 -0.850 1.00 0.00 C ATOM 969 CZ TYR A 67 2.537 -6.352 -0.330 1.00 0.00 C ATOM 970 OH TYR A 67 3.274 -7.508 -0.214 1.00 0.00 O ATOM 0 H TYR A 67 -0.645 -0.353 -0.956 1.00 0.00 H new ATOM 0 HA TYR A 67 2.017 -1.583 -0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.089 -2.430 0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.667 -2.956 -1.267 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.758 -3.052 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.475 -5.283 -1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.077 -5.112 0.482 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.839 -7.345 -1.165 1.00 0.00 H new ATOM 0 HH TYR A 67 2.747 -8.266 -0.543 1.00 0.00 H new ATOM 980 N VAL A 68 1.076 -0.708 -3.611 1.00 0.00 N ATOM 981 CA VAL A 68 1.122 -0.771 -5.066 1.00 0.00 C ATOM 982 C VAL A 68 2.306 0.020 -5.613 1.00 0.00 C ATOM 983 O VAL A 68 3.170 -0.529 -6.297 1.00 0.00 O ATOM 984 CB VAL A 68 -0.176 -0.229 -5.693 1.00 0.00 C ATOM 985 CG1 VAL A 68 -0.031 -0.107 -7.202 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.354 -1.122 -5.333 1.00 0.00 C ATOM 0 H VAL A 68 1.076 0.238 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 68 1.235 -1.822 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.366 0.766 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.958 0.277 -7.627 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.786 0.576 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.184 -1.087 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.263 -0.724 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.174 -2.130 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.470 -1.152 -4.250 1.00 0.00 H new ATOM 996 N VAL A 69 2.339 1.313 -5.307 1.00 0.00 N ATOM 997 CA VAL A 69 3.417 2.180 -5.766 1.00 0.00 C ATOM 998 C VAL A 69 4.738 1.815 -5.098 1.00 0.00 C ATOM 999 O VAL A 69 5.804 1.921 -5.705 1.00 0.00 O ATOM 1000 CB VAL A 69 3.104 3.662 -5.485 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.234 4.550 -5.985 1.00 0.00 C ATOM 1002 CG2 VAL A 69 1.782 4.057 -6.124 1.00 0.00 C ATOM 0 H VAL A 69 1.631 1.783 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 69 3.505 2.033 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 69 3.016 3.799 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.996 5.593 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.160 4.282 -5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.357 4.412 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.576 5.107 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.839 3.905 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.981 3.442 -5.713 1.00 0.00 H new ATOM 1012 N LEU A 70 4.661 1.384 -3.843 1.00 0.00 N ATOM 1013 CA LEU A 70 5.851 1.002 -3.091 1.00 0.00 C ATOM 1014 C LEU A 70 6.109 -0.497 -3.204 1.00 0.00 C ATOM 1015 O LEU A 70 7.237 -0.957 -3.037 1.00 0.00 O ATOM 1016 CB LEU A 70 5.696 1.395 -1.621 1.00 0.00 C ATOM 1017 CG LEU A 70 5.083 2.770 -1.354 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.479 2.824 0.041 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.128 3.863 -1.527 1.00 0.00 C ATOM 0 H LEU A 70 3.787 1.291 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 70 6.704 1.531 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.080 0.643 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.679 1.360 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 70 4.287 2.938 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.048 3.810 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.700 2.067 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.256 2.634 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.674 4.835 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.946 3.698 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.514 3.840 -2.546 1.00 0.00 H new ATOM 1031 N GLY A 71 5.054 -1.254 -3.492 1.00 0.00 N ATOM 1032 CA GLY A 71 5.188 -2.692 -3.625 1.00 0.00 C ATOM 1033 C GLY A 71 6.405 -3.089 -4.438 1.00 0.00 C ATOM 1034 O GLY A 71 7.062 -4.086 -4.138 1.00 0.00 O ATOM 0 H GLY A 71 4.110 -0.896 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.255 -3.141 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.292 -3.095 -4.097 1.00 0.00 H new ATOM 1038 N SER A 72 6.705 -2.307 -5.470 1.00 0.00 N ATOM 1039 CA SER A 72 7.848 -2.585 -6.332 1.00 0.00 C ATOM 1040 C SER A 72 8.943 -1.541 -6.136 1.00 0.00 C ATOM 1041 O SER A 72 8.684 -0.339 -6.182 1.00 0.00 O ATOM 1042 CB SER A 72 7.412 -2.615 -7.799 1.00 0.00 C ATOM 1043 OG SER A 72 6.619 -3.757 -8.072 1.00 0.00 O ATOM 0 H SER A 72 6.173 -1.476 -5.730 1.00 0.00 H new ATOM 0 HA SER A 72 8.248 -3.561 -6.059 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.848 -1.712 -8.032 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.291 -2.617 -8.443 1.00 0.00 H new ATOM 0 HG SER A 72 6.352 -3.752 -9.015 1.00 0.00 H new ATOM 1049 N ALA A 73 10.167 -2.010 -5.918 1.00 0.00 N ATOM 1050 CA ALA A 73 11.302 -1.118 -5.717 1.00 0.00 C ATOM 1051 C ALA A 73 11.454 -0.150 -6.885 1.00 0.00 C ATOM 1052 O ALA A 73 11.753 1.029 -6.694 1.00 0.00 O ATOM 1053 CB ALA A 73 12.579 -1.924 -5.528 1.00 0.00 C ATOM 0 H ALA A 73 10.398 -3.003 -5.876 1.00 0.00 H new ATOM 0 HA ALA A 73 11.117 -0.533 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.419 -1.245 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.476 -2.570 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.758 -2.534 -6.413 1.00 0.00 H new ATOM 1059 N THR A 74 11.245 -0.655 -8.097 1.00 0.00 N ATOM 1060 CA THR A 74 11.360 0.165 -9.297 1.00 0.00 C ATOM 1061 C THR A 74 10.423 1.365 -9.234 1.00 0.00 C ATOM 1062 O THR A 74 10.854 2.510 -9.372 1.00 0.00 O ATOM 1063 CB THR A 74 11.048 -0.650 -10.566 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.839 -1.844 -10.588 1.00 0.00 O ATOM 1065 CG2 THR A 74 11.324 0.170 -11.817 1.00 0.00 C ATOM 0 H THR A 74 10.995 -1.628 -8.274 1.00 0.00 H new ATOM 0 HA THR A 74 12.391 0.515 -9.344 1.00 0.00 H new ATOM 0 HB THR A 74 9.991 -0.915 -10.550 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.634 -2.358 -11.397 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.096 -0.426 -12.701 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.700 1.063 -11.812 1.00 0.00 H new ATOM 0 HG23 THR A 74 12.374 0.461 -11.837 1.00 0.00 H new ATOM 1073 N LEU A 75 9.139 1.096 -9.026 1.00 0.00 N ATOM 1074 CA LEU A 75 8.139 2.156 -8.944 1.00 0.00 C ATOM 1075 C LEU A 75 8.607 3.277 -8.022 1.00 0.00 C ATOM 1076 O LEU A 75 8.705 4.433 -8.434 1.00 0.00 O ATOM 1077 CB LEU A 75 6.808 1.591 -8.444 1.00 0.00 C ATOM 1078 CG LEU A 75 6.206 0.457 -9.274 1.00 0.00 C ATOM 1079 CD1 LEU A 75 5.035 -0.178 -8.541 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.769 0.968 -10.639 1.00 0.00 C ATOM 0 H LEU A 75 8.765 0.154 -8.911 1.00 0.00 H new ATOM 0 HA LEU A 75 8.000 2.568 -9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.948 1.233 -7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.085 2.405 -8.399 1.00 0.00 H new ATOM 0 HG LEU A 75 6.972 -0.305 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.620 -0.983 -9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.378 -0.581 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.267 0.574 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.343 0.147 -11.216 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.020 1.749 -10.512 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.631 1.374 -11.168 1.00 0.00 H new ATOM 1092 N ARG A 76 8.898 2.926 -6.774 1.00 0.00 N ATOM 1093 CA ARG A 76 9.358 3.903 -5.793 1.00 0.00 C ATOM 1094 C ARG A 76 10.346 4.881 -6.422 1.00 0.00 C ATOM 1095 O ARG A 76 10.269 6.088 -6.195 1.00 0.00 O ATOM 1096 CB ARG A 76 10.011 3.195 -4.605 1.00 0.00 C ATOM 1097 CG ARG A 76 9.025 2.435 -3.732 1.00 0.00 C ATOM 1098 CD ARG A 76 9.639 2.064 -2.391 1.00 0.00 C ATOM 1099 NE ARG A 76 10.456 0.857 -2.479 1.00 0.00 N ATOM 1100 CZ ARG A 76 11.730 0.858 -2.856 1.00 0.00 C ATOM 1101 NH1 ARG A 76 12.329 1.996 -3.179 1.00 0.00 N ATOM 1102 NH2 ARG A 76 12.408 -0.282 -2.910 1.00 0.00 N ATOM 0 H ARG A 76 8.824 1.973 -6.418 1.00 0.00 H new ATOM 0 HA ARG A 76 8.492 4.464 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.765 2.501 -4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.531 3.933 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.136 3.044 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.702 1.531 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.251 2.891 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.846 1.913 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 76 10.025 -0.036 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.812 2.874 -3.138 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.307 1.993 -3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.951 -1.159 -2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.386 -0.280 -3.200 1.00 0.00 H new ATOM 1116 N ARG A 77 11.274 4.350 -7.213 1.00 0.00 N ATOM 1117 CA ARG A 77 12.278 5.176 -7.872 1.00 0.00 C ATOM 1118 C ARG A 77 11.645 6.032 -8.966 1.00 0.00 C ATOM 1119 O ARG A 77 11.949 7.218 -9.094 1.00 0.00 O ATOM 1120 CB ARG A 77 13.378 4.297 -8.471 1.00 0.00 C ATOM 1121 CG ARG A 77 14.146 3.493 -7.435 1.00 0.00 C ATOM 1122 CD ARG A 77 14.959 2.383 -8.082 1.00 0.00 C ATOM 1123 NE ARG A 77 16.213 2.879 -8.644 1.00 0.00 N ATOM 1124 CZ ARG A 77 17.146 2.091 -9.167 1.00 0.00 C ATOM 1125 NH1 ARG A 77 16.968 0.778 -9.201 1.00 0.00 N ATOM 1126 NH2 ARG A 77 18.261 2.617 -9.658 1.00 0.00 N ATOM 0 H ARG A 77 11.351 3.353 -7.412 1.00 0.00 H new ATOM 0 HA ARG A 77 12.716 5.837 -7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.932 3.612 -9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.077 4.928 -9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.810 4.155 -6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.448 3.063 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.173 1.612 -7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.369 1.914 -8.870 1.00 0.00 H new ATOM 0 HE ARG A 77 16.381 3.885 -8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.112 0.369 -8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.687 0.176 -9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.402 3.627 -9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.977 2.011 -10.059 1.00 0.00 H new ATOM 1140 N LYS A 78 10.764 5.423 -9.751 1.00 0.00 N ATOM 1141 CA LYS A 78 10.087 6.128 -10.833 1.00 0.00 C ATOM 1142 C LYS A 78 9.481 7.436 -10.335 1.00 0.00 C ATOM 1143 O LYS A 78 9.843 8.516 -10.803 1.00 0.00 O ATOM 1144 CB LYS A 78 8.993 5.245 -11.439 1.00 0.00 C ATOM 1145 CG LYS A 78 9.530 4.112 -12.296 1.00 0.00 C ATOM 1146 CD LYS A 78 8.560 3.744 -13.405 1.00 0.00 C ATOM 1147 CE LYS A 78 9.290 3.213 -14.630 1.00 0.00 C ATOM 1148 NZ LYS A 78 9.934 4.307 -15.409 1.00 0.00 N ATOM 0 H LYS A 78 10.502 4.442 -9.658 1.00 0.00 H new ATOM 0 HA LYS A 78 10.826 6.359 -11.600 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.389 4.826 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.331 5.865 -12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.486 4.405 -12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.717 3.239 -11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.860 2.991 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.972 4.619 -13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.048 2.494 -14.318 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.587 2.678 -15.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.794 3.946 -15.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.273 4.653 -16.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.186 5.087 -14.769 1.00 0.00 H new ATOM 1162 N TYR A 79 8.561 7.332 -9.383 1.00 0.00 N ATOM 1163 CA TYR A 79 7.905 8.507 -8.822 1.00 0.00 C ATOM 1164 C TYR A 79 8.927 9.582 -8.463 1.00 0.00 C ATOM 1165 O TYR A 79 8.665 10.776 -8.607 1.00 0.00 O ATOM 1166 CB TYR A 79 7.095 8.123 -7.583 1.00 0.00 C ATOM 1167 CG TYR A 79 6.269 9.258 -7.023 1.00 0.00 C ATOM 1168 CD1 TYR A 79 5.063 9.621 -7.608 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.697 9.970 -5.908 1.00 0.00 C ATOM 1170 CE1 TYR A 79 4.305 10.658 -7.100 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.945 11.008 -5.393 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.750 11.349 -5.992 1.00 0.00 C ATOM 1173 OH TYR A 79 3.999 12.383 -5.482 1.00 0.00 O ATOM 0 H TYR A 79 8.252 6.446 -8.983 1.00 0.00 H new ATOM 0 HA TYR A 79 7.230 8.910 -9.577 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.434 7.294 -7.834 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.776 7.765 -6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.711 9.083 -8.476 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.633 9.707 -5.437 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.369 10.926 -7.568 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.291 11.550 -4.525 1.00 0.00 H new ATOM 0 HH TYR A 79 4.453 12.763 -4.701 1.00 0.00 H new ATOM 1183 N ASP A 80 10.092 9.148 -7.995 1.00 0.00 N ATOM 1184 CA ASP A 80 11.155 10.071 -7.616 1.00 0.00 C ATOM 1185 C ASP A 80 11.508 10.999 -8.774 1.00 0.00 C ATOM 1186 O ASP A 80 11.554 12.218 -8.613 1.00 0.00 O ATOM 1187 CB ASP A 80 12.396 9.297 -7.169 1.00 0.00 C ATOM 1188 CG ASP A 80 13.324 10.135 -6.312 1.00 0.00 C ATOM 1189 OD1 ASP A 80 12.826 11.035 -5.605 1.00 0.00 O ATOM 1190 OD2 ASP A 80 14.549 9.891 -6.349 1.00 0.00 O ATOM 0 H ASP A 80 10.324 8.163 -7.869 1.00 0.00 H new ATOM 0 HA ASP A 80 10.796 10.678 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.088 8.414 -6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.937 8.945 -8.047 1.00 0.00 H new ATOM 1195 N ARG A 81 11.757 10.412 -9.940 1.00 0.00 N ATOM 1196 CA ARG A 81 12.108 11.186 -11.125 1.00 0.00 C ATOM 1197 C ARG A 81 10.856 11.628 -11.877 1.00 0.00 C ATOM 1198 O ARG A 81 10.941 12.187 -12.969 1.00 0.00 O ATOM 1199 CB ARG A 81 13.008 10.364 -12.049 1.00 0.00 C ATOM 1200 CG ARG A 81 13.963 9.442 -11.308 1.00 0.00 C ATOM 1201 CD ARG A 81 15.000 10.229 -10.522 1.00 0.00 C ATOM 1202 NE ARG A 81 15.653 11.245 -11.344 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.268 12.311 -10.843 1.00 0.00 C ATOM 1204 NH1 ARG A 81 16.313 12.499 -9.531 1.00 0.00 N ATOM 1205 NH2 ARG A 81 16.840 13.191 -11.655 1.00 0.00 N ATOM 0 H ARG A 81 11.722 9.404 -10.090 1.00 0.00 H new ATOM 0 HA ARG A 81 12.648 12.075 -10.800 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.383 9.768 -12.714 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.585 11.042 -12.677 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.399 8.802 -10.629 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.465 8.787 -12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.521 10.707 -9.667 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.751 9.545 -10.126 1.00 0.00 H new ATOM 0 HE ARG A 81 15.636 11.130 -12.357 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.875 11.824 -8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.786 13.318 -9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.808 13.049 -12.665 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.312 14.009 -11.270 1.00 0.00 H new ATOM 1219 N GLY A 82 9.694 11.371 -11.283 1.00 0.00 N ATOM 1220 CA GLY A 82 8.441 11.747 -11.912 1.00 0.00 C ATOM 1221 C GLY A 82 8.111 10.882 -13.111 1.00 0.00 C ATOM 1222 O GLY A 82 7.534 11.358 -14.090 1.00 0.00 O ATOM 0 H GLY A 82 9.598 10.910 -10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.635 11.673 -11.182 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.494 12.790 -12.224 1.00 0.00 H new ATOM 1226 N LEU A 83 8.478 9.607 -13.038 1.00 0.00 N ATOM 1227 CA LEU A 83 8.218 8.672 -14.127 1.00 0.00 C ATOM 1228 C LEU A 83 6.921 7.906 -13.890 1.00 0.00 C ATOM 1229 O LEU A 83 6.409 7.236 -14.788 1.00 0.00 O ATOM 1230 CB LEU A 83 9.384 7.692 -14.274 1.00 0.00 C ATOM 1231 CG LEU A 83 10.777 8.315 -14.360 1.00 0.00 C ATOM 1232 CD1 LEU A 83 11.820 7.373 -13.779 1.00 0.00 C ATOM 1233 CD2 LEU A 83 11.116 8.665 -15.802 1.00 0.00 C ATOM 0 H LEU A 83 8.957 9.197 -12.236 1.00 0.00 H new ATOM 0 HA LEU A 83 8.116 9.246 -15.048 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.366 7.007 -13.426 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.219 7.094 -15.170 1.00 0.00 H new ATOM 0 HG LEU A 83 10.780 9.234 -13.773 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.805 7.834 -13.849 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.587 7.172 -12.733 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.816 6.437 -14.338 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.111 9.108 -15.845 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.094 7.761 -16.411 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.385 9.378 -16.185 1.00 0.00 H new ATOM 1245 N LEU A 84 6.392 8.010 -12.676 1.00 0.00 N ATOM 1246 CA LEU A 84 5.153 7.328 -12.320 1.00 0.00 C ATOM 1247 C LEU A 84 3.940 8.172 -12.697 1.00 0.00 C ATOM 1248 O LEU A 84 3.775 9.291 -12.212 1.00 0.00 O ATOM 1249 CB LEU A 84 5.128 7.020 -10.822 1.00 0.00 C ATOM 1250 CG LEU A 84 3.985 6.127 -10.338 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.391 4.663 -10.397 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.569 6.511 -8.926 1.00 0.00 C ATOM 0 H LEU A 84 6.802 8.560 -11.921 1.00 0.00 H new ATOM 0 HA LEU A 84 5.110 6.392 -12.877 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.072 6.545 -10.554 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.080 7.964 -10.278 1.00 0.00 H new ATOM 0 HG LEU A 84 3.130 6.273 -10.999 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.565 4.042 -10.049 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.638 4.395 -11.424 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.261 4.501 -9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.755 5.865 -8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.418 6.395 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.236 7.549 -8.914 1.00 0.00 H new ATOM 1264 N SER A 85 3.092 7.627 -13.564 1.00 0.00 N ATOM 1265 CA SER A 85 1.894 8.330 -14.007 1.00 0.00 C ATOM 1266 C SER A 85 0.637 7.663 -13.457 1.00 0.00 C ATOM 1267 O SER A 85 0.705 6.603 -12.834 1.00 0.00 O ATOM 1268 CB SER A 85 1.837 8.369 -15.535 1.00 0.00 C ATOM 1269 OG SER A 85 2.743 9.326 -16.056 1.00 0.00 O ATOM 0 H SER A 85 3.213 6.701 -13.973 1.00 0.00 H new ATOM 0 HA SER A 85 1.939 9.350 -13.625 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.074 7.384 -15.936 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.824 8.609 -15.858 1.00 0.00 H new ATOM 0 HG SER A 85 2.688 9.330 -17.034 1.00 0.00 H new ATOM 1275 N ASP A 86 -0.509 8.292 -13.691 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.783 7.760 -13.220 1.00 0.00 C ATOM 1277 C ASP A 86 -1.949 6.301 -13.632 1.00 0.00 C ATOM 1278 O ASP A 86 -2.287 5.449 -12.811 1.00 0.00 O ATOM 1279 CB ASP A 86 -2.942 8.593 -13.769 1.00 0.00 C ATOM 1280 CG ASP A 86 -2.909 8.706 -15.281 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -1.914 9.240 -15.815 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -3.877 8.258 -15.930 1.00 0.00 O ATOM 0 H ASP A 86 -0.582 9.171 -14.204 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.791 7.814 -12.131 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.886 8.143 -13.462 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.907 9.591 -13.332 1.00 0.00 H new ATOM 1287 N GLU A 87 -1.708 6.021 -14.910 1.00 0.00 N ATOM 1288 CA GLU A 87 -1.833 4.665 -15.431 1.00 0.00 C ATOM 1289 C GLU A 87 -1.306 3.646 -14.425 1.00 0.00 C ATOM 1290 O GLU A 87 -1.973 2.657 -14.120 1.00 0.00 O ATOM 1291 CB GLU A 87 -1.076 4.532 -16.753 1.00 0.00 C ATOM 1292 CG GLU A 87 -1.837 5.080 -17.949 1.00 0.00 C ATOM 1293 CD GLU A 87 -1.468 4.385 -19.245 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -0.325 4.571 -19.712 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -2.321 3.656 -19.792 1.00 0.00 O ATOM 0 H GLU A 87 -1.425 6.715 -15.602 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.890 4.465 -15.605 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.123 5.054 -16.670 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.850 3.480 -16.928 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.907 4.971 -17.775 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.637 6.147 -18.044 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.105 3.894 -13.914 1.00 0.00 N ATOM 1303 CA ASP A 88 0.513 2.998 -12.943 1.00 0.00 C ATOM 1304 C ASP A 88 -0.204 3.078 -11.598 1.00 0.00 C ATOM 1305 O ASP A 88 -0.443 2.059 -10.949 1.00 0.00 O ATOM 1306 CB ASP A 88 1.992 3.344 -12.768 1.00 0.00 C ATOM 1307 CG ASP A 88 2.781 3.181 -14.052 1.00 0.00 C ATOM 1308 OD1 ASP A 88 2.165 3.237 -15.137 1.00 0.00 O ATOM 1309 OD2 ASP A 88 4.014 2.998 -13.973 1.00 0.00 O ATOM 0 H ASP A 88 0.460 4.708 -14.156 1.00 0.00 H new ATOM 0 HA ASP A 88 0.429 1.979 -13.320 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.082 4.372 -12.418 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.423 2.705 -11.997 1.00 0.00 H new ATOM 1314 N LEU A 89 -0.543 4.294 -11.186 1.00 0.00 N ATOM 1315 CA LEU A 89 -1.231 4.507 -9.917 1.00 0.00 C ATOM 1316 C LEU A 89 -2.510 3.679 -9.846 1.00 0.00 C ATOM 1317 O LEU A 89 -2.710 2.907 -8.908 1.00 0.00 O ATOM 1318 CB LEU A 89 -1.560 5.990 -9.736 1.00 0.00 C ATOM 1319 CG LEU A 89 -0.390 6.894 -9.346 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -0.710 8.347 -9.659 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -0.054 6.726 -7.871 1.00 0.00 C ATOM 0 H LEU A 89 -0.353 5.147 -11.711 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.567 4.187 -9.114 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.987 6.363 -10.667 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.333 6.080 -8.972 1.00 0.00 H new ATOM 0 HG LEU A 89 0.481 6.601 -9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.134 8.975 -9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.900 8.456 -10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.594 8.653 -9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.781 7.377 -7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.922 6.991 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.220 5.689 -7.676 1.00 0.00 H new