USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 397 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 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.8!) USER MOD Single : A 37 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.93) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00698) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00586 USER MOD Single : A 50 SER OG : rot 10:sc= 0.56 USER MOD Single : A 51 HIS : no HD1:sc= -0.047 K(o=-0.047,f=-0.63) USER MOD Single : A 62 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.52) USER MOD Single : A 69 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.43) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 17 10.333 -5.766 -2.091 1.00 0.00 N ATOM 211 CA PRO A 17 9.075 -5.187 -1.610 1.00 0.00 C ATOM 212 C PRO A 17 7.854 -5.856 -2.232 1.00 0.00 C ATOM 213 O PRO A 17 7.980 -6.820 -2.987 1.00 0.00 O ATOM 214 CB PRO A 17 9.167 -3.724 -2.052 1.00 0.00 C ATOM 215 CG PRO A 17 10.085 -3.740 -3.225 1.00 0.00 C ATOM 216 CD PRO A 17 11.076 -4.839 -2.961 1.00 0.00 C ATOM 0 HA PRO A 17 8.952 -5.315 -0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.187 -3.329 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.556 -3.093 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.535 -3.924 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.588 -2.780 -3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.395 -5.323 -3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.974 -4.461 -2.472 1.00 0.00 H new ATOM 224 N ILE A 18 6.673 -5.338 -1.909 1.00 0.00 N ATOM 225 CA ILE A 18 5.430 -5.886 -2.437 1.00 0.00 C ATOM 226 C ILE A 18 4.578 -4.795 -3.077 1.00 0.00 C ATOM 227 O ILE A 18 4.642 -3.632 -2.681 1.00 0.00 O ATOM 228 CB ILE A 18 4.609 -6.584 -1.337 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.536 -7.333 -0.377 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.596 -7.536 -1.955 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.850 -7.793 0.890 1.00 0.00 C ATOM 0 H ILE A 18 6.551 -4.540 -1.285 1.00 0.00 H new ATOM 0 HA ILE A 18 5.705 -6.621 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 18 4.067 -5.826 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.953 -8.200 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.372 -6.686 -0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.024 -8.022 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.920 -6.978 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.118 -8.292 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.567 -8.316 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.457 -6.929 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.031 -8.466 0.637 1.00 0.00 H new ATOM 243 N GLU A 19 3.778 -5.180 -4.066 1.00 0.00 N ATOM 244 CA GLU A 19 2.911 -4.235 -4.760 1.00 0.00 C ATOM 245 C GLU A 19 1.450 -4.458 -4.382 1.00 0.00 C ATOM 246 O GLU A 19 0.923 -5.562 -4.518 1.00 0.00 O ATOM 247 CB GLU A 19 3.084 -4.367 -6.274 1.00 0.00 C ATOM 248 CG GLU A 19 4.216 -3.523 -6.834 1.00 0.00 C ATOM 249 CD GLU A 19 4.216 -3.478 -8.350 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.924 -4.519 -8.974 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.509 -2.402 -8.911 1.00 0.00 O ATOM 0 H GLU A 19 3.712 -6.140 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 19 3.197 -3.228 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.266 -5.413 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.153 -4.082 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.135 -2.508 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.169 -3.923 -6.486 1.00 0.00 H new ATOM 258 N VAL A 20 0.800 -3.401 -3.905 1.00 0.00 N ATOM 259 CA VAL A 20 -0.601 -3.479 -3.508 1.00 0.00 C ATOM 260 C VAL A 20 -1.410 -2.339 -4.115 1.00 0.00 C ATOM 261 O VAL A 20 -0.871 -1.274 -4.420 1.00 0.00 O ATOM 262 CB VAL A 20 -0.752 -3.442 -1.975 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.143 -4.687 -1.348 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.115 -2.183 -1.408 1.00 0.00 C ATOM 0 H VAL A 20 1.222 -2.480 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.983 -4.429 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.814 -3.425 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.259 -4.643 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.650 -5.573 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.917 -4.739 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.231 -2.173 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.945 -2.167 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.602 -1.306 -1.833 1.00 0.00 H new ATOM 274 N THR A 21 -2.708 -2.568 -4.288 1.00 0.00 N ATOM 275 CA THR A 21 -3.592 -1.560 -4.860 1.00 0.00 C ATOM 276 C THR A 21 -4.522 -0.980 -3.800 1.00 0.00 C ATOM 277 O THR A 21 -5.300 -1.704 -3.180 1.00 0.00 O ATOM 278 CB THR A 21 -4.439 -2.141 -6.008 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.594 -2.817 -6.946 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.216 -1.043 -6.717 1.00 0.00 C ATOM 0 H THR A 21 -3.170 -3.443 -4.040 1.00 0.00 H new ATOM 0 HA THR A 21 -2.955 -0.768 -5.254 1.00 0.00 H new ATOM 0 HB THR A 21 -5.150 -2.850 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.140 -3.185 -7.672 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.806 -1.478 -7.524 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.880 -0.550 -6.007 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.520 -0.313 -7.130 1.00 0.00 H new ATOM 288 N ALA A 22 -4.437 0.331 -3.598 1.00 0.00 N ATOM 289 CA ALA A 22 -5.274 1.008 -2.616 1.00 0.00 C ATOM 290 C ALA A 22 -6.751 0.875 -2.968 1.00 0.00 C ATOM 291 O ALA A 22 -7.240 1.522 -3.894 1.00 0.00 O ATOM 292 CB ALA A 22 -4.884 2.475 -2.512 1.00 0.00 C ATOM 0 H ALA A 22 -3.797 0.945 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.114 0.531 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.517 2.968 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.841 2.553 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.014 2.956 -3.482 1.00 0.00 H new ATOM 298 N LEU A 23 -7.458 0.032 -2.223 1.00 0.00 N ATOM 299 CA LEU A 23 -8.881 -0.187 -2.457 1.00 0.00 C ATOM 300 C LEU A 23 -9.671 1.102 -2.254 1.00 0.00 C ATOM 301 O LEU A 23 -10.685 1.331 -2.913 1.00 0.00 O ATOM 302 CB LEU A 23 -9.411 -1.275 -1.521 1.00 0.00 C ATOM 303 CG LEU A 23 -8.704 -2.629 -1.599 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.279 -3.591 -0.571 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.819 -3.211 -3.000 1.00 0.00 C ATOM 0 H LEU A 23 -7.069 -0.511 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.008 -0.511 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.342 -0.910 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.469 -1.427 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.648 -2.479 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.764 -4.549 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.144 -3.179 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.342 -3.736 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.310 -4.174 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.871 -3.346 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.359 -2.530 -3.716 1.00 0.00 H new ATOM 317 N TYR A 24 -9.198 1.942 -1.340 1.00 0.00 N ATOM 318 CA TYR A 24 -9.860 3.208 -1.050 1.00 0.00 C ATOM 319 C TYR A 24 -8.841 4.334 -0.901 1.00 0.00 C ATOM 320 O TYR A 24 -7.635 4.092 -0.847 1.00 0.00 O ATOM 321 CB TYR A 24 -10.696 3.090 0.225 1.00 0.00 C ATOM 322 CG TYR A 24 -11.521 1.825 0.293 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.749 1.737 -0.352 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.074 0.718 1.004 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.506 0.583 -0.291 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.824 -0.440 1.068 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.039 -0.503 0.419 1.00 0.00 C ATOM 328 OH TYR A 24 -13.790 -1.654 0.482 1.00 0.00 O ATOM 0 H TYR A 24 -8.358 1.769 -0.787 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.517 3.445 -1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.033 3.128 1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.360 3.951 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.118 2.585 -0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.124 0.764 1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.459 0.532 -0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.461 -1.292 1.624 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.318 -2.323 1.020 1.00 0.00 H new ATOM 338 N SER A 25 -9.335 5.566 -0.834 1.00 0.00 N ATOM 339 CA SER A 25 -8.469 6.731 -0.694 1.00 0.00 C ATOM 340 C SER A 25 -7.951 6.854 0.736 1.00 0.00 C ATOM 341 O SER A 25 -8.442 6.186 1.646 1.00 0.00 O ATOM 342 CB SER A 25 -9.223 8.003 -1.087 1.00 0.00 C ATOM 343 OG SER A 25 -10.050 8.453 -0.028 1.00 0.00 O ATOM 0 H SER A 25 -10.331 5.783 -0.874 1.00 0.00 H new ATOM 0 HA SER A 25 -7.616 6.602 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.511 8.784 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.831 7.811 -1.971 1.00 0.00 H new ATOM 0 HG SER A 25 -10.520 9.268 -0.303 1.00 0.00 H new ATOM 349 N PHE A 26 -6.955 7.713 0.925 1.00 0.00 N ATOM 350 CA PHE A 26 -6.368 7.924 2.243 1.00 0.00 C ATOM 351 C PHE A 26 -5.544 9.208 2.272 1.00 0.00 C ATOM 352 O PHE A 26 -4.871 9.547 1.300 1.00 0.00 O ATOM 353 CB PHE A 26 -5.491 6.732 2.631 1.00 0.00 C ATOM 354 CG PHE A 26 -4.795 6.905 3.951 1.00 0.00 C ATOM 355 CD1 PHE A 26 -3.672 7.711 4.057 1.00 0.00 C ATOM 356 CD2 PHE A 26 -5.263 6.262 5.086 1.00 0.00 C ATOM 357 CE1 PHE A 26 -3.030 7.870 5.270 1.00 0.00 C ATOM 358 CE2 PHE A 26 -4.624 6.418 6.302 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.507 7.224 6.394 1.00 0.00 C ATOM 0 H PHE A 26 -6.538 8.274 0.182 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.180 8.018 2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.108 5.834 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.744 6.572 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.295 8.220 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.137 5.632 5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.155 8.499 5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.998 5.910 7.179 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.007 7.349 7.343 1.00 0.00 H new ATOM 369 N GLU A 27 -5.604 9.917 3.395 1.00 0.00 N ATOM 370 CA GLU A 27 -4.865 11.164 3.550 1.00 0.00 C ATOM 371 C GLU A 27 -4.171 11.221 4.908 1.00 0.00 C ATOM 372 O GLU A 27 -4.814 11.423 5.938 1.00 0.00 O ATOM 373 CB GLU A 27 -5.803 12.363 3.395 1.00 0.00 C ATOM 374 CG GLU A 27 -5.946 12.842 1.960 1.00 0.00 C ATOM 375 CD GLU A 27 -6.534 14.237 1.866 1.00 0.00 C ATOM 376 OE1 GLU A 27 -5.839 15.200 2.251 1.00 0.00 O ATOM 377 OE2 GLU A 27 -7.689 14.365 1.409 1.00 0.00 O ATOM 0 H GLU A 27 -6.156 9.649 4.210 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.105 11.203 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.787 12.096 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.433 13.185 4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.968 12.831 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.580 12.147 1.410 1.00 0.00 H new ATOM 384 N GLY A 28 -2.854 11.039 4.902 1.00 0.00 N ATOM 385 CA GLY A 28 -2.095 11.072 6.138 1.00 0.00 C ATOM 386 C GLY A 28 -2.182 12.414 6.837 1.00 0.00 C ATOM 387 O GLY A 28 -1.678 13.417 6.332 1.00 0.00 O ATOM 0 H GLY A 28 -2.299 10.869 4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.462 10.293 6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.051 10.844 5.925 1.00 0.00 H new ATOM 439 N GLY A 32 4.450 12.206 8.595 1.00 0.00 N ATOM 440 CA GLY A 32 5.109 10.914 8.634 1.00 0.00 C ATOM 441 C GLY A 32 4.297 9.828 7.956 1.00 0.00 C ATOM 442 O GLY A 32 4.825 8.768 7.618 1.00 0.00 O ATOM 0 HA2 GLY A 32 6.082 10.991 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.291 10.633 9.671 1.00 0.00 H new ATOM 446 N ASP A 33 3.010 10.090 7.760 1.00 0.00 N ATOM 447 CA ASP A 33 2.123 9.126 7.119 1.00 0.00 C ATOM 448 C ASP A 33 2.266 9.182 5.601 1.00 0.00 C ATOM 449 O ASP A 33 3.094 9.923 5.071 1.00 0.00 O ATOM 450 CB ASP A 33 0.670 9.394 7.517 1.00 0.00 C ATOM 451 CG ASP A 33 0.379 8.990 8.948 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.220 8.291 9.551 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.692 9.372 9.467 1.00 0.00 O ATOM 0 H ASP A 33 2.557 10.962 8.036 1.00 0.00 H new ATOM 0 HA ASP A 33 2.406 8.129 7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.451 10.454 7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.006 8.849 6.846 1.00 0.00 H new ATOM 458 N LEU A 34 1.454 8.392 4.906 1.00 0.00 N ATOM 459 CA LEU A 34 1.490 8.350 3.448 1.00 0.00 C ATOM 460 C LEU A 34 0.133 8.721 2.859 1.00 0.00 C ATOM 461 O LEU A 34 -0.910 8.374 3.411 1.00 0.00 O ATOM 462 CB LEU A 34 1.904 6.958 2.969 1.00 0.00 C ATOM 463 CG LEU A 34 1.949 6.756 1.454 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.192 7.405 0.865 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.907 5.273 1.112 1.00 0.00 C ATOM 0 H LEU A 34 0.763 7.772 5.329 1.00 0.00 H new ATOM 0 HA LEU A 34 2.225 9.079 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.891 6.734 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.213 6.229 3.392 1.00 0.00 H new ATOM 0 HG LEU A 34 1.073 7.235 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.207 7.251 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.180 8.474 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.081 6.956 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.940 5.148 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.764 4.772 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.987 4.836 1.500 1.00 0.00 H new ATOM 477 N ASN A 35 0.156 9.428 1.733 1.00 0.00 N ATOM 478 CA ASN A 35 -1.073 9.844 1.068 1.00 0.00 C ATOM 479 C ASN A 35 -1.250 9.110 -0.258 1.00 0.00 C ATOM 480 O ASN A 35 -0.405 9.202 -1.148 1.00 0.00 O ATOM 481 CB ASN A 35 -1.061 11.355 0.828 1.00 0.00 C ATOM 482 CG ASN A 35 -1.372 12.143 2.087 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.495 12.610 2.278 1.00 0.00 O ATOM 484 ND2 ASN A 35 -0.376 12.293 2.952 1.00 0.00 N ATOM 0 H ASN A 35 1.011 9.724 1.263 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.911 9.592 1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.083 11.652 0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.791 11.604 0.057 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.525 12.813 3.817 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.539 11.888 2.752 1.00 0.00 H new ATOM 491 N PHE A 36 -2.354 8.381 -0.381 1.00 0.00 N ATOM 492 CA PHE A 36 -2.642 7.629 -1.597 1.00 0.00 C ATOM 493 C PHE A 36 -4.120 7.732 -1.963 1.00 0.00 C ATOM 494 O PHE A 36 -4.915 8.303 -1.217 1.00 0.00 O ATOM 495 CB PHE A 36 -2.250 6.161 -1.420 1.00 0.00 C ATOM 496 CG PHE A 36 -2.966 5.482 -0.288 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.431 5.487 0.990 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.175 4.839 -0.501 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.088 4.862 2.033 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.836 4.212 0.538 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.292 4.225 1.807 1.00 0.00 C ATOM 0 H PHE A 36 -3.064 8.295 0.346 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.054 8.059 -2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.458 5.624 -2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.175 6.098 -1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.490 5.985 1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.606 4.828 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.660 4.872 3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.777 3.713 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.807 3.738 2.621 1.00 0.00 H new ATOM 511 N GLN A 37 -4.479 7.176 -3.115 1.00 0.00 N ATOM 512 CA GLN A 37 -5.860 7.206 -3.580 1.00 0.00 C ATOM 513 C GLN A 37 -6.308 5.825 -4.046 1.00 0.00 C ATOM 514 O GLN A 37 -5.485 4.941 -4.281 1.00 0.00 O ATOM 515 CB GLN A 37 -6.015 8.216 -4.719 1.00 0.00 C ATOM 516 CG GLN A 37 -5.748 9.653 -4.299 1.00 0.00 C ATOM 517 CD GLN A 37 -4.288 10.037 -4.431 1.00 0.00 C ATOM 518 OE1 GLN A 37 -3.608 10.291 -3.436 1.00 0.00 O ATOM 519 NE2 GLN A 37 -3.796 10.082 -5.664 1.00 0.00 N ATOM 0 H GLN A 37 -3.833 6.699 -3.744 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.491 7.510 -2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.332 7.949 -5.525 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.026 8.146 -5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.353 10.324 -4.909 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.064 9.790 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.395 9.864 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.819 10.335 -5.814 1.00 0.00 H new ATOM 528 N ALA A 38 -7.619 5.646 -4.176 1.00 0.00 N ATOM 529 CA ALA A 38 -8.176 4.373 -4.615 1.00 0.00 C ATOM 530 C ALA A 38 -7.609 3.963 -5.970 1.00 0.00 C ATOM 531 O ALA A 38 -8.010 4.492 -7.006 1.00 0.00 O ATOM 532 CB ALA A 38 -9.694 4.455 -4.678 1.00 0.00 C ATOM 0 H ALA A 38 -8.315 6.367 -3.983 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.894 3.611 -3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.097 3.497 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.087 4.693 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.987 5.233 -5.382 1.00 0.00 H new ATOM 538 N GLY A 39 -6.674 3.018 -5.954 1.00 0.00 N ATOM 539 CA GLY A 39 -6.067 2.555 -7.188 1.00 0.00 C ATOM 540 C GLY A 39 -4.560 2.714 -7.188 1.00 0.00 C ATOM 541 O GLY A 39 -3.842 1.899 -7.768 1.00 0.00 O ATOM 0 H GLY A 39 -6.326 2.565 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.319 1.506 -7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.488 3.110 -8.027 1.00 0.00 H new ATOM 545 N ASP A 40 -4.078 3.768 -6.538 1.00 0.00 N ATOM 546 CA ASP A 40 -2.646 4.033 -6.466 1.00 0.00 C ATOM 547 C ASP A 40 -1.900 2.835 -5.888 1.00 0.00 C ATOM 548 O ASP A 40 -2.302 2.275 -4.868 1.00 0.00 O ATOM 549 CB ASP A 40 -2.378 5.276 -5.616 1.00 0.00 C ATOM 550 CG ASP A 40 -2.377 6.550 -6.437 1.00 0.00 C ATOM 551 OD1 ASP A 40 -1.499 6.690 -7.314 1.00 0.00 O ATOM 552 OD2 ASP A 40 -3.253 7.407 -6.202 1.00 0.00 O ATOM 0 H ASP A 40 -4.658 4.453 -6.053 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.283 4.210 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.137 5.350 -4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.416 5.169 -5.115 1.00 0.00 H new ATOM 557 N ARG A 41 -0.813 2.447 -6.546 1.00 0.00 N ATOM 558 CA ARG A 41 -0.013 1.313 -6.099 1.00 0.00 C ATOM 559 C ARG A 41 1.000 1.746 -5.043 1.00 0.00 C ATOM 560 O ARG A 41 1.722 2.727 -5.226 1.00 0.00 O ATOM 561 CB ARG A 41 0.712 0.674 -7.284 1.00 0.00 C ATOM 562 CG ARG A 41 -0.175 -0.228 -8.126 1.00 0.00 C ATOM 563 CD ARG A 41 -1.019 0.575 -9.103 1.00 0.00 C ATOM 564 NE ARG A 41 -0.338 0.775 -10.380 1.00 0.00 N ATOM 565 CZ ARG A 41 -0.236 -0.164 -11.313 1.00 0.00 C ATOM 566 NH1 ARG A 41 -0.769 -1.362 -11.115 1.00 0.00 N ATOM 567 NH2 ARG A 41 0.399 0.094 -12.449 1.00 0.00 N ATOM 0 H ARG A 41 -0.466 2.901 -7.391 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.685 0.579 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.120 1.462 -7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.557 0.094 -6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.443 -0.938 -8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.826 -0.811 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.965 0.060 -9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.258 1.544 -8.664 1.00 0.00 H new ATOM 0 HE ARG A 41 0.082 1.686 -10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.259 -1.564 -10.244 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.689 -2.081 -11.834 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.809 1.014 -12.606 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.477 -0.628 -13.165 1.00 0.00 H new ATOM 581 N ILE A 42 1.046 1.009 -3.938 1.00 0.00 N ATOM 582 CA ILE A 42 1.970 1.317 -2.853 1.00 0.00 C ATOM 583 C ILE A 42 3.035 0.234 -2.714 1.00 0.00 C ATOM 584 O ILE A 42 2.727 -0.921 -2.416 1.00 0.00 O ATOM 585 CB ILE A 42 1.231 1.470 -1.511 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.215 2.612 -1.590 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.225 1.715 -0.385 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.988 2.412 -0.696 1.00 0.00 C ATOM 0 H ILE A 42 0.455 0.195 -3.771 1.00 0.00 H new ATOM 0 HA ILE A 42 2.448 2.263 -3.105 1.00 0.00 H new ATOM 0 HB ILE A 42 0.694 0.545 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.708 3.546 -1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.122 2.717 -2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.688 1.821 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.913 0.873 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.787 2.627 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.666 3.259 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.505 1.496 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.662 2.337 0.341 1.00 0.00 H new ATOM 600 N THR A 43 4.290 0.615 -2.931 1.00 0.00 N ATOM 601 CA THR A 43 5.401 -0.323 -2.829 1.00 0.00 C ATOM 602 C THR A 43 5.715 -0.648 -1.373 1.00 0.00 C ATOM 603 O THR A 43 6.445 0.085 -0.706 1.00 0.00 O ATOM 604 CB THR A 43 6.670 0.234 -3.503 1.00 0.00 C ATOM 605 OG1 THR A 43 6.441 0.413 -4.905 1.00 0.00 O ATOM 606 CG2 THR A 43 7.850 -0.703 -3.293 1.00 0.00 C ATOM 0 H THR A 43 4.562 1.566 -3.178 1.00 0.00 H new ATOM 0 HA THR A 43 5.094 -1.233 -3.344 1.00 0.00 H new ATOM 0 HB THR A 43 6.904 1.196 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.251 0.769 -5.326 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.734 -0.289 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.040 -0.815 -2.226 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.622 -1.677 -3.725 1.00 0.00 H new ATOM 614 N VAL A 44 5.159 -1.753 -0.886 1.00 0.00 N ATOM 615 CA VAL A 44 5.381 -2.177 0.492 1.00 0.00 C ATOM 616 C VAL A 44 6.859 -2.442 0.754 1.00 0.00 C ATOM 617 O VAL A 44 7.461 -3.321 0.136 1.00 0.00 O ATOM 618 CB VAL A 44 4.576 -3.447 0.825 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.793 -3.852 2.274 1.00 0.00 C ATOM 620 CG2 VAL A 44 3.097 -3.230 0.539 1.00 0.00 C ATOM 0 H VAL A 44 4.552 -2.371 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 44 5.042 -1.363 1.132 1.00 0.00 H new ATOM 0 HB VAL A 44 4.931 -4.258 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.216 -4.751 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.852 -4.051 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.467 -3.045 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.543 -4.137 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.726 -2.406 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.962 -2.991 -0.516 1.00 0.00 H new ATOM 630 N ILE A 45 7.438 -1.677 1.673 1.00 0.00 N ATOM 631 CA ILE A 45 8.846 -1.830 2.018 1.00 0.00 C ATOM 632 C ILE A 45 9.009 -2.539 3.358 1.00 0.00 C ATOM 633 O ILE A 45 9.915 -3.354 3.534 1.00 0.00 O ATOM 634 CB ILE A 45 9.562 -0.468 2.079 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.645 0.587 2.700 1.00 0.00 C ATOM 636 CG2 ILE A 45 10.006 -0.040 0.689 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.315 1.928 2.901 1.00 0.00 C ATOM 0 H ILE A 45 6.954 -0.945 2.192 1.00 0.00 H new ATOM 0 HA ILE A 45 9.300 -2.434 1.233 1.00 0.00 H new ATOM 0 HB ILE A 45 10.447 -0.567 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.772 0.719 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.285 0.222 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.510 0.924 0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.691 -0.783 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.135 0.046 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.605 2.626 3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.172 1.811 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.651 2.315 1.939 1.00 0.00 H new ATOM 649 N SER A 46 8.125 -2.226 4.299 1.00 0.00 N ATOM 650 CA SER A 46 8.172 -2.831 5.624 1.00 0.00 C ATOM 651 C SER A 46 6.767 -3.003 6.194 1.00 0.00 C ATOM 652 O SER A 46 6.094 -2.026 6.523 1.00 0.00 O ATOM 653 CB SER A 46 9.016 -1.975 6.570 1.00 0.00 C ATOM 654 OG SER A 46 9.523 -2.749 7.643 1.00 0.00 O ATOM 0 H SER A 46 7.367 -1.556 4.168 1.00 0.00 H new ATOM 0 HA SER A 46 8.630 -3.815 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.842 -1.526 6.019 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.412 -1.157 6.962 1.00 0.00 H new ATOM 0 HG SER A 46 10.060 -2.179 8.232 1.00 0.00 H new ATOM 660 N LYS A 47 6.330 -4.252 6.307 1.00 0.00 N ATOM 661 CA LYS A 47 5.005 -4.555 6.837 1.00 0.00 C ATOM 662 C LYS A 47 5.094 -5.558 7.983 1.00 0.00 C ATOM 663 O LYS A 47 6.185 -5.972 8.377 1.00 0.00 O ATOM 664 CB LYS A 47 4.105 -5.108 5.731 1.00 0.00 C ATOM 665 CG LYS A 47 4.440 -6.534 5.329 1.00 0.00 C ATOM 666 CD LYS A 47 3.211 -7.278 4.835 1.00 0.00 C ATOM 667 CE LYS A 47 3.591 -8.485 3.992 1.00 0.00 C ATOM 668 NZ LYS A 47 4.324 -9.508 4.787 1.00 0.00 N ATOM 0 H LYS A 47 6.874 -5.072 6.039 1.00 0.00 H new ATOM 0 HA LYS A 47 4.574 -3.630 7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.068 -5.068 6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.184 -4.465 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.199 -6.524 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.868 -7.062 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.614 -7.602 5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.588 -6.604 4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.691 -8.930 3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.211 -8.163 3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.521 -10.336 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.221 -9.106 5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.744 -9.797 5.600 1.00 0.00 H new ATOM 682 N THR A 48 3.940 -5.946 8.515 1.00 0.00 N ATOM 683 CA THR A 48 3.887 -6.901 9.615 1.00 0.00 C ATOM 684 C THR A 48 3.029 -8.108 9.255 1.00 0.00 C ATOM 685 O THR A 48 2.497 -8.196 8.149 1.00 0.00 O ATOM 686 CB THR A 48 3.329 -6.252 10.896 1.00 0.00 C ATOM 687 OG1 THR A 48 2.010 -5.749 10.655 1.00 0.00 O ATOM 688 CG2 THR A 48 4.230 -5.120 11.366 1.00 0.00 C ATOM 0 H THR A 48 3.028 -5.613 8.202 1.00 0.00 H new ATOM 0 HA THR A 48 4.910 -7.228 9.798 1.00 0.00 H new ATOM 0 HB THR A 48 3.291 -7.013 11.676 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.661 -5.339 11.474 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.816 -4.677 12.272 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.226 -5.511 11.576 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.295 -4.360 10.588 1.00 0.00 H new ATOM 696 N ASP A 49 2.899 -9.037 10.196 1.00 0.00 N ATOM 697 CA ASP A 49 2.103 -10.239 9.979 1.00 0.00 C ATOM 698 C ASP A 49 0.649 -10.009 10.380 1.00 0.00 C ATOM 699 O ASP A 49 0.029 -10.859 11.018 1.00 0.00 O ATOM 700 CB ASP A 49 2.684 -11.411 10.771 1.00 0.00 C ATOM 701 CG ASP A 49 2.227 -12.755 10.238 1.00 0.00 C ATOM 702 OD1 ASP A 49 1.051 -12.862 9.831 1.00 0.00 O ATOM 703 OD2 ASP A 49 3.044 -13.699 10.228 1.00 0.00 O ATOM 0 H ASP A 49 3.335 -8.980 11.116 1.00 0.00 H new ATOM 0 HA ASP A 49 2.134 -10.478 8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.772 -11.362 10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.391 -11.320 11.817 1.00 0.00 H new ATOM 708 N SER A 50 0.112 -8.854 10.001 1.00 0.00 N ATOM 709 CA SER A 50 -1.267 -8.509 10.325 1.00 0.00 C ATOM 710 C SER A 50 -1.792 -7.428 9.385 1.00 0.00 C ATOM 711 O SER A 50 -1.109 -6.441 9.112 1.00 0.00 O ATOM 712 CB SER A 50 -1.369 -8.033 11.776 1.00 0.00 C ATOM 713 OG SER A 50 -1.183 -9.109 12.680 1.00 0.00 O ATOM 0 H SER A 50 0.611 -8.141 9.469 1.00 0.00 H new ATOM 0 HA SER A 50 -1.878 -9.403 10.200 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.620 -7.263 11.963 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.344 -7.577 11.945 1.00 0.00 H new ATOM 0 HG SER A 50 -0.875 -9.899 12.189 1.00 0.00 H new ATOM 719 N HIS A 51 -3.012 -7.623 8.893 1.00 0.00 N ATOM 720 CA HIS A 51 -3.631 -6.665 7.984 1.00 0.00 C ATOM 721 C HIS A 51 -4.091 -5.420 8.737 1.00 0.00 C ATOM 722 O HIS A 51 -3.603 -4.317 8.489 1.00 0.00 O ATOM 723 CB HIS A 51 -4.817 -7.306 7.263 1.00 0.00 C ATOM 724 CG HIS A 51 -4.434 -8.464 6.393 1.00 0.00 C ATOM 725 ND1 HIS A 51 -3.998 -9.671 6.896 1.00 0.00 N ATOM 726 CD2 HIS A 51 -4.426 -8.593 5.046 1.00 0.00 C ATOM 727 CE1 HIS A 51 -3.736 -10.493 5.895 1.00 0.00 C ATOM 728 NE2 HIS A 51 -3.988 -9.863 4.762 1.00 0.00 N ATOM 0 H HIS A 51 -3.591 -8.435 9.108 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.885 -6.368 7.247 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.543 -7.643 8.003 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.312 -6.551 6.652 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.711 -7.838 4.328 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.377 -11.507 5.988 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.876 -10.256 3.828 1.00 0.00 H new ATOM 737 N PHE A 52 -5.033 -5.604 9.656 1.00 0.00 N ATOM 738 CA PHE A 52 -5.560 -4.496 10.443 1.00 0.00 C ATOM 739 C PHE A 52 -4.449 -3.519 10.818 1.00 0.00 C ATOM 740 O PHE A 52 -4.641 -2.303 10.786 1.00 0.00 O ATOM 741 CB PHE A 52 -6.242 -5.020 11.708 1.00 0.00 C ATOM 742 CG PHE A 52 -7.310 -4.106 12.236 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.385 -3.742 11.441 1.00 0.00 C ATOM 744 CD2 PHE A 52 -7.239 -3.610 13.528 1.00 0.00 C ATOM 745 CE1 PHE A 52 -9.370 -2.901 11.924 1.00 0.00 C ATOM 746 CE2 PHE A 52 -8.221 -2.769 14.017 1.00 0.00 C ATOM 747 CZ PHE A 52 -9.287 -2.413 13.213 1.00 0.00 C ATOM 0 H PHE A 52 -5.447 -6.510 9.874 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.295 -3.968 9.835 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.681 -5.995 11.497 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.489 -5.170 12.481 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.454 -4.120 10.432 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.407 -3.884 14.160 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.203 -2.626 11.294 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.155 -2.391 15.026 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.054 -1.754 13.592 1.00 0.00 H new ATOM 757 N ASP A 53 -3.289 -4.060 11.174 1.00 0.00 N ATOM 758 CA ASP A 53 -2.147 -3.237 11.556 1.00 0.00 C ATOM 759 C ASP A 53 -1.739 -2.311 10.414 1.00 0.00 C ATOM 760 O ASP A 53 -2.174 -2.485 9.275 1.00 0.00 O ATOM 761 CB ASP A 53 -0.966 -4.121 11.959 1.00 0.00 C ATOM 762 CG ASP A 53 -1.228 -4.887 13.241 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.288 -5.539 13.337 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.371 -4.834 14.148 1.00 0.00 O ATOM 0 H ASP A 53 -3.115 -5.064 11.206 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.440 -2.625 12.409 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.752 -4.826 11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.078 -3.501 12.084 1.00 0.00 H new ATOM 769 N TRP A 54 -0.902 -1.328 10.726 1.00 0.00 N ATOM 770 CA TRP A 54 -0.437 -0.374 9.726 1.00 0.00 C ATOM 771 C TRP A 54 0.914 -0.797 9.158 1.00 0.00 C ATOM 772 O TRP A 54 1.804 -1.216 9.897 1.00 0.00 O ATOM 773 CB TRP A 54 -0.332 1.024 10.336 1.00 0.00 C ATOM 774 CG TRP A 54 -1.662 1.681 10.548 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.754 1.140 11.164 1.00 0.00 C ATOM 776 CD2 TRP A 54 -2.041 3.001 10.142 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.789 2.044 11.166 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.376 3.194 10.546 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.381 4.040 9.480 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -4.062 4.382 10.306 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -2.062 5.218 9.243 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.391 5.382 9.655 1.00 0.00 C ATOM 0 H TRP A 54 -0.532 -1.171 11.663 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.162 -0.354 8.913 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.189 0.958 11.291 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.276 1.652 9.685 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.798 0.147 11.587 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.714 1.885 11.564 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.356 3.924 9.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.087 4.510 10.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.561 6.027 8.731 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.896 6.316 9.455 1.00 0.00 H new ATOM 793 N TRP A 55 1.058 -0.685 7.843 1.00 0.00 N ATOM 794 CA TRP A 55 2.301 -1.056 7.176 1.00 0.00 C ATOM 795 C TRP A 55 3.012 0.175 6.625 1.00 0.00 C ATOM 796 O TRP A 55 2.466 1.278 6.645 1.00 0.00 O ATOM 797 CB TRP A 55 2.022 -2.048 6.046 1.00 0.00 C ATOM 798 CG TRP A 55 1.454 -3.350 6.525 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.458 -3.824 7.806 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.801 -4.344 5.729 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.846 -5.053 7.854 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.434 -5.395 6.593 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.489 -4.449 4.371 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.227 -6.533 6.141 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.167 -5.580 3.924 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.521 -6.610 4.806 1.00 0.00 C ATOM 0 H TRP A 55 0.330 -0.340 7.217 1.00 0.00 H new ATOM 0 HA TRP A 55 2.951 -1.529 7.912 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.328 -1.595 5.338 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.948 -2.241 5.505 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.880 -3.309 8.656 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.719 -5.619 8.693 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.756 -3.660 3.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.499 -7.328 6.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.411 -5.672 2.876 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.035 -7.480 4.426 1.00 0.00 H new ATOM 817 N GLU A 56 4.231 -0.021 6.133 1.00 0.00 N ATOM 818 CA GLU A 56 5.015 1.075 5.576 1.00 0.00 C ATOM 819 C GLU A 56 5.329 0.827 4.104 1.00 0.00 C ATOM 820 O GLU A 56 6.068 -0.096 3.762 1.00 0.00 O ATOM 821 CB GLU A 56 6.315 1.253 6.363 1.00 0.00 C ATOM 822 CG GLU A 56 7.042 2.550 6.053 1.00 0.00 C ATOM 823 CD GLU A 56 8.280 2.744 6.908 1.00 0.00 C ATOM 824 OE1 GLU A 56 8.147 2.751 8.149 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.380 2.890 6.335 1.00 0.00 O ATOM 0 H GLU A 56 4.697 -0.928 6.109 1.00 0.00 H new ATOM 0 HA GLU A 56 4.423 1.987 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.092 1.217 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.978 0.415 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.326 2.560 5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.363 3.389 6.208 1.00 0.00 H new ATOM 832 N GLY A 57 4.761 1.658 3.235 1.00 0.00 N ATOM 833 CA GLY A 57 4.991 1.512 1.809 1.00 0.00 C ATOM 834 C GLY A 57 5.502 2.788 1.171 1.00 0.00 C ATOM 835 O GLY A 57 5.721 3.789 1.854 1.00 0.00 O ATOM 0 H GLY A 57 4.146 2.430 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.711 0.711 1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.062 1.213 1.323 1.00 0.00 H new ATOM 839 N LYS A 58 5.694 2.755 -0.143 1.00 0.00 N ATOM 840 CA LYS A 58 6.183 3.917 -0.876 1.00 0.00 C ATOM 841 C LYS A 58 5.287 4.222 -2.072 1.00 0.00 C ATOM 842 O LYS A 58 4.833 3.313 -2.769 1.00 0.00 O ATOM 843 CB LYS A 58 7.619 3.681 -1.347 1.00 0.00 C ATOM 844 CG LYS A 58 8.669 4.088 -0.327 1.00 0.00 C ATOM 845 CD LYS A 58 9.980 3.355 -0.554 1.00 0.00 C ATOM 846 CE LYS A 58 10.879 4.109 -1.522 1.00 0.00 C ATOM 847 NZ LYS A 58 11.727 5.114 -0.823 1.00 0.00 N ATOM 0 H LYS A 58 5.518 1.935 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 58 6.165 4.774 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.746 2.625 -1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.786 4.237 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.837 5.163 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.303 3.877 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.495 3.226 0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.778 2.358 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.517 3.401 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.266 4.609 -2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.325 5.606 -1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.119 5.804 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.330 4.634 -0.125 1.00 0.00 H new ATOM 861 N LEU A 59 5.038 5.506 -2.307 1.00 0.00 N ATOM 862 CA LEU A 59 4.198 5.931 -3.421 1.00 0.00 C ATOM 863 C LEU A 59 4.749 7.199 -4.066 1.00 0.00 C ATOM 864 O LEU A 59 5.036 8.181 -3.381 1.00 0.00 O ATOM 865 CB LEU A 59 2.765 6.170 -2.943 1.00 0.00 C ATOM 866 CG LEU A 59 1.806 6.773 -3.970 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.585 5.808 -5.124 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.482 7.136 -3.315 1.00 0.00 C ATOM 0 H LEU A 59 5.406 6.271 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 59 4.198 5.136 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.353 5.219 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.798 6.829 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 59 2.254 7.684 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.900 6.254 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.538 5.598 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.159 4.879 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.188 7.564 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.028 6.240 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.656 7.865 -2.523 1.00 0.00 H new ATOM 880 N ARG A 60 4.893 7.170 -5.387 1.00 0.00 N ATOM 881 CA ARG A 60 5.409 8.317 -6.124 1.00 0.00 C ATOM 882 C ARG A 60 6.652 8.886 -5.445 1.00 0.00 C ATOM 883 O ARG A 60 6.901 10.090 -5.491 1.00 0.00 O ATOM 884 CB ARG A 60 4.336 9.401 -6.238 1.00 0.00 C ATOM 885 CG ARG A 60 3.371 9.185 -7.392 1.00 0.00 C ATOM 886 CD ARG A 60 2.001 9.773 -7.092 1.00 0.00 C ATOM 887 NE ARG A 60 1.968 11.218 -7.301 1.00 0.00 N ATOM 888 CZ ARG A 60 1.798 11.784 -8.490 1.00 0.00 C ATOM 889 NH1 ARG A 60 1.647 11.032 -9.571 1.00 0.00 N ATOM 890 NH2 ARG A 60 1.780 13.107 -8.599 1.00 0.00 N ATOM 0 H ARG A 60 4.660 6.365 -5.968 1.00 0.00 H new ATOM 0 HA ARG A 60 5.684 7.981 -7.124 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.772 9.441 -5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.822 10.369 -6.358 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.774 9.643 -8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.274 8.118 -7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.255 9.297 -7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.729 9.550 -6.061 1.00 0.00 H new ATOM 0 HE ARG A 60 2.082 11.825 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.661 10.015 -9.491 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.517 11.470 -10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.897 13.689 -7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.649 13.542 -9.512 1.00 0.00 H new ATOM 904 N GLY A 61 7.428 8.010 -4.814 1.00 0.00 N ATOM 905 CA GLY A 61 8.635 8.444 -4.134 1.00 0.00 C ATOM 906 C GLY A 61 8.404 8.719 -2.662 1.00 0.00 C ATOM 907 O GLY A 61 9.317 8.583 -1.848 1.00 0.00 O ATOM 0 H GLY A 61 7.243 7.008 -4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.404 7.679 -4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.014 9.346 -4.614 1.00 0.00 H new ATOM 911 N GLN A 62 7.180 9.108 -2.319 1.00 0.00 N ATOM 912 CA GLN A 62 6.833 9.406 -0.935 1.00 0.00 C ATOM 913 C GLN A 62 6.826 8.135 -0.090 1.00 0.00 C ATOM 914 O GLN A 62 6.668 7.031 -0.612 1.00 0.00 O ATOM 915 CB GLN A 62 5.465 10.086 -0.865 1.00 0.00 C ATOM 916 CG GLN A 62 5.477 11.527 -1.351 1.00 0.00 C ATOM 917 CD GLN A 62 5.539 11.631 -2.862 1.00 0.00 C ATOM 918 OE1 GLN A 62 6.594 11.907 -3.434 1.00 0.00 O ATOM 919 NE2 GLN A 62 4.406 11.411 -3.518 1.00 0.00 N ATOM 0 H GLN A 62 6.412 9.224 -2.981 1.00 0.00 H new ATOM 0 HA GLN A 62 7.588 10.083 -0.535 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.754 9.516 -1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.108 10.061 0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.582 12.035 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.333 12.045 -0.919 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.555 11.185 -3.004 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.387 11.468 -4.536 1.00 0.00 H new ATOM 928 N THR A 63 6.998 8.299 1.218 1.00 0.00 N ATOM 929 CA THR A 63 7.013 7.166 2.134 1.00 0.00 C ATOM 930 C THR A 63 6.247 7.484 3.414 1.00 0.00 C ATOM 931 O THR A 63 6.280 8.611 3.905 1.00 0.00 O ATOM 932 CB THR A 63 8.453 6.758 2.499 1.00 0.00 C ATOM 933 OG1 THR A 63 9.263 6.711 1.319 1.00 0.00 O ATOM 934 CG2 THR A 63 8.472 5.402 3.188 1.00 0.00 C ATOM 0 H THR A 63 7.129 9.206 1.666 1.00 0.00 H new ATOM 0 HA THR A 63 6.528 6.337 1.619 1.00 0.00 H new ATOM 0 HB THR A 63 8.856 7.503 3.186 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.177 6.452 1.560 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.499 5.134 3.436 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.878 5.449 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.052 4.649 2.521 1.00 0.00 H new ATOM 942 N GLY A 64 5.558 6.481 3.950 1.00 0.00 N ATOM 943 CA GLY A 64 4.794 6.675 5.168 1.00 0.00 C ATOM 944 C GLY A 64 4.055 5.422 5.594 1.00 0.00 C ATOM 945 O GLY A 64 4.184 4.372 4.963 1.00 0.00 O ATOM 0 H GLY A 64 5.515 5.538 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.465 6.987 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.078 7.483 5.019 1.00 0.00 H new ATOM 949 N ILE A 65 3.279 5.530 6.668 1.00 0.00 N ATOM 950 CA ILE A 65 2.518 4.396 7.177 1.00 0.00 C ATOM 951 C ILE A 65 1.066 4.458 6.716 1.00 0.00 C ATOM 952 O ILE A 65 0.550 5.529 6.395 1.00 0.00 O ATOM 953 CB ILE A 65 2.554 4.339 8.716 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.150 5.691 9.307 1.00 0.00 C ATOM 955 CG2 ILE A 65 3.939 3.936 9.198 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.587 5.594 10.708 1.00 0.00 C ATOM 0 H ILE A 65 3.161 6.391 7.202 1.00 0.00 H new ATOM 0 HA ILE A 65 2.986 3.496 6.777 1.00 0.00 H new ATOM 0 HB ILE A 65 1.840 3.588 9.055 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.020 6.348 9.318 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.408 6.155 8.657 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.949 3.900 10.287 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.191 2.953 8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.671 4.666 8.852 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.322 6.590 11.063 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.698 4.963 10.700 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.335 5.159 11.371 1.00 0.00 H new ATOM 968 N PHE A 66 0.410 3.302 6.687 1.00 0.00 N ATOM 969 CA PHE A 66 -0.984 3.224 6.266 1.00 0.00 C ATOM 970 C PHE A 66 -1.580 1.862 6.609 1.00 0.00 C ATOM 971 O PHE A 66 -0.883 0.849 6.674 1.00 0.00 O ATOM 972 CB PHE A 66 -1.099 3.480 4.762 1.00 0.00 C ATOM 973 CG PHE A 66 -0.497 2.391 3.920 1.00 0.00 C ATOM 974 CD1 PHE A 66 -1.181 1.206 3.703 1.00 0.00 C ATOM 975 CD2 PHE A 66 0.754 2.552 3.347 1.00 0.00 C ATOM 976 CE1 PHE A 66 -0.630 0.202 2.929 1.00 0.00 C ATOM 977 CE2 PHE A 66 1.310 1.552 2.572 1.00 0.00 C ATOM 978 CZ PHE A 66 0.618 0.375 2.364 1.00 0.00 C ATOM 0 H PHE A 66 0.822 2.407 6.950 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.543 3.991 6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.151 3.591 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.610 4.425 4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.157 1.065 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.301 3.469 3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.175 -0.716 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.285 1.691 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.052 -0.409 1.761 1.00 0.00 H new ATOM 988 N PRO A 67 -2.902 1.835 6.835 1.00 0.00 N ATOM 989 CA PRO A 67 -3.622 0.605 7.175 1.00 0.00 C ATOM 990 C PRO A 67 -3.704 -0.363 6.000 1.00 0.00 C ATOM 991 O PRO A 67 -4.213 -0.017 4.934 1.00 0.00 O ATOM 992 CB PRO A 67 -5.018 1.104 7.555 1.00 0.00 C ATOM 993 CG PRO A 67 -5.169 2.396 6.828 1.00 0.00 C ATOM 994 CD PRO A 67 -3.795 3.004 6.775 1.00 0.00 C ATOM 0 HA PRO A 67 -3.123 0.047 7.968 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.787 0.391 7.259 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.109 1.243 8.632 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.564 2.235 5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.868 3.055 7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.645 3.578 5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.624 3.684 7.610 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.201 -1.576 6.201 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.220 -2.595 5.159 1.00 0.00 C ATOM 1004 C ALA A 68 -4.650 -2.983 4.797 1.00 0.00 C ATOM 1005 O ALA A 68 -4.884 -3.671 3.804 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.435 -3.820 5.603 1.00 0.00 C ATOM 0 H ALA A 68 -2.775 -1.877 7.077 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.748 -2.178 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.458 -4.572 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.402 -3.537 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.882 -4.230 6.509 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.603 -2.537 5.609 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.010 -2.839 5.374 1.00 0.00 C ATOM 1014 C ASN A 69 -7.562 -2.002 4.223 1.00 0.00 C ATOM 1015 O ASN A 69 -8.629 -2.296 3.685 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.827 -2.583 6.642 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.314 -2.491 6.363 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -9.930 -3.448 5.893 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -9.900 -1.334 6.653 1.00 0.00 N ATOM 0 H ASN A 69 -5.426 -1.965 6.435 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.089 -3.892 5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.643 -3.385 7.357 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.490 -1.657 7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.899 -1.213 6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.351 -0.567 7.041 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.827 -0.960 3.852 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.243 -0.080 2.767 1.00 0.00 C ATOM 1028 C TYR A 70 -6.714 -0.580 1.426 1.00 0.00 C ATOM 1029 O TYR A 70 -7.103 -0.086 0.368 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.750 1.346 3.022 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.684 2.164 3.885 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.122 1.687 5.114 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -8.127 3.414 3.472 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -8.976 2.430 5.906 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.980 4.165 4.258 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.402 3.669 5.474 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.251 4.413 6.260 1.00 0.00 O ATOM 0 H TYR A 70 -5.940 -0.704 4.287 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.332 -0.081 2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.771 1.303 3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.616 1.852 2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.789 0.718 5.456 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.799 3.806 2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.308 2.043 6.858 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.315 5.135 3.922 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.454 5.260 5.811 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.823 -1.566 1.479 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.241 -2.136 0.270 1.00 0.00 C ATOM 1049 C VAL A 71 -5.520 -3.632 0.179 1.00 0.00 C ATOM 1050 O VAL A 71 -6.059 -4.233 1.109 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.719 -1.905 0.217 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.397 -0.426 0.377 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -3.018 -2.730 1.285 1.00 0.00 C ATOM 0 H VAL A 71 -5.489 -1.986 2.346 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.708 -1.630 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.354 -2.228 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.317 -0.282 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.868 0.138 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.775 -0.073 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.943 -2.555 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.386 -2.440 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.221 -3.788 1.119 1.00 0.00 H new ATOM 1063 N THR A 72 -5.150 -4.229 -0.950 1.00 0.00 N ATOM 1064 CA THR A 72 -5.361 -5.655 -1.164 1.00 0.00 C ATOM 1065 C THR A 72 -4.149 -6.296 -1.831 1.00 0.00 C ATOM 1066 O THR A 72 -3.276 -5.602 -2.352 1.00 0.00 O ATOM 1067 CB THR A 72 -6.606 -5.915 -2.032 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.926 -7.311 -2.025 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.377 -5.449 -3.461 1.00 0.00 C ATOM 0 H THR A 72 -4.703 -3.747 -1.730 1.00 0.00 H new ATOM 0 HA THR A 72 -5.512 -6.103 -0.182 1.00 0.00 H new ATOM 0 HB THR A 72 -7.438 -5.350 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.720 -7.467 -2.578 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.270 -5.643 -4.055 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.164 -4.380 -3.465 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.532 -5.989 -3.889 1.00 0.00 H new