USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 910 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 98 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.23) USER MOD Set 1.2: A 99 HIS : no HD1:sc= 0 X(o=-1.3,f=-1.3) USER MOD Set 2.1: A 80 GLN : amide:sc= -1.8 K(o=-3.4,f=-0.12) USER MOD Set 2.2: A 83 GLN : amide:sc= -1.61 K(o=-3.4,f=-0.12) USER MOD Set 3.1: A 41 GLN : amide:sc= 0.165 X(o=0.85,f=0.65) USER MOD Set 3.2: A 69 TYR OH : rot 146:sc= 0.136 USER MOD Set 3.3: A 114 THR OG1 : rot -83:sc= 0.545 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 43 ASN : amide:sc= -0.597 K(o=-0.6,f=-2.3!) USER MOD Single : A 45 MET CE :methyl -157:sc= -0.238 (180deg=-0.978) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 120:sc= -0.121 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 88:sc= 0.521 USER MOD Single : A 58 ASN : amide:sc= -0.0918 X(o=-0.092,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= -0.0116 (180deg=-0.113) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -2.56! K(o=-2.6!,f=0.098) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -85:sc= 0.216 USER MOD Single : A 95 THR OG1 : rot 76:sc= 1.08 USER MOD Single : A 96 THR OG1 : rot 82:sc= 0.33 USER MOD Single : A 100 HIS : no HD1:sc= -0.722 K(o=-0.72,f=-0.15) USER MOD Single : A 101 LYS NZ :NH3+ 164:sc= -0.0509 (180deg=-0.313) USER MOD Single : A 111 MET CE :methyl 153:sc= -0.223 (180deg=-0.923) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -141:sc= 0.574 (180deg=-0.555) USER MOD Single : A 124 MET CE :methyl 158:sc= -0.12 (180deg=-0.623) USER MOD Single : A 128 TYR OH : rot 124:sc= 0.605 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.657 2.031 6.268 1.00 0.00 N ATOM 243 CA ALA A 19 19.757 3.368 5.692 1.00 0.00 C ATOM 244 C ALA A 19 18.709 3.601 4.605 1.00 0.00 C ATOM 245 O ALA A 19 17.908 4.533 4.692 1.00 0.00 O ATOM 246 CB ALA A 19 21.154 3.592 5.130 1.00 0.00 C ATOM 0 HA ALA A 19 19.567 4.086 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 19 21.218 4.593 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.888 3.491 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.357 2.853 4.355 1.00 0.00 H new ATOM 252 N GLU A 20 18.716 2.747 3.584 1.00 0.00 N ATOM 253 CA GLU A 20 17.778 2.877 2.474 1.00 0.00 C ATOM 254 C GLU A 20 16.359 2.503 2.893 1.00 0.00 C ATOM 255 O GLU A 20 15.416 3.255 2.646 1.00 0.00 O ATOM 256 CB GLU A 20 18.221 2.001 1.302 1.00 0.00 C ATOM 257 CG GLU A 20 17.494 2.307 0.003 1.00 0.00 C ATOM 258 CD GLU A 20 17.808 3.692 -0.529 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.145 4.659 -0.097 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.717 3.810 -1.377 1.00 0.00 O ATOM 0 H GLU A 20 19.360 1.960 3.503 1.00 0.00 H new ATOM 0 HA GLU A 20 17.775 3.922 2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.292 2.130 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.060 0.954 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.767 1.564 -0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.419 2.218 0.163 1.00 0.00 H new ATOM 267 N PHE A 21 16.210 1.336 3.517 1.00 0.00 N ATOM 268 CA PHE A 21 14.902 0.875 3.972 1.00 0.00 C ATOM 269 C PHE A 21 14.165 1.977 4.730 1.00 0.00 C ATOM 270 O PHE A 21 13.037 2.332 4.384 1.00 0.00 O ATOM 271 CB PHE A 21 15.046 -0.360 4.863 1.00 0.00 C ATOM 272 CG PHE A 21 13.730 -0.952 5.276 1.00 0.00 C ATOM 273 CD1 PHE A 21 13.079 -1.862 4.460 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.139 -0.593 6.477 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.865 -2.405 4.834 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.925 -1.131 6.857 1.00 0.00 C ATOM 277 CZ PHE A 21 11.287 -2.038 6.034 1.00 0.00 C ATOM 0 H PHE A 21 16.977 0.695 3.718 1.00 0.00 H new ATOM 0 HA PHE A 21 14.318 0.611 3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.626 -1.116 4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.612 -0.092 5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.526 -2.151 3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.634 0.116 7.124 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.369 -3.115 4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.476 -0.843 7.796 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.337 -2.460 6.328 1.00 0.00 H new ATOM 287 N ASP A 22 14.808 2.516 5.763 1.00 0.00 N ATOM 288 CA ASP A 22 14.210 3.578 6.567 1.00 0.00 C ATOM 289 C ASP A 22 13.902 4.800 5.709 1.00 0.00 C ATOM 290 O ASP A 22 12.883 5.465 5.903 1.00 0.00 O ATOM 291 CB ASP A 22 15.141 3.968 7.716 1.00 0.00 C ATOM 292 CG ASP A 22 14.558 5.065 8.586 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.758 6.253 8.258 1.00 0.00 O ATOM 294 OD2 ASP A 22 13.901 4.735 9.596 1.00 0.00 O ATOM 0 H ASP A 22 15.742 2.235 6.062 1.00 0.00 H new ATOM 0 HA ASP A 22 13.275 3.201 6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.343 3.090 8.330 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.096 4.300 7.309 1.00 0.00 H new ATOM 299 N ALA A 23 14.791 5.095 4.763 1.00 0.00 N ATOM 300 CA ALA A 23 14.610 6.236 3.873 1.00 0.00 C ATOM 301 C ALA A 23 13.277 6.150 3.138 1.00 0.00 C ATOM 302 O ALA A 23 12.535 7.131 3.059 1.00 0.00 O ATOM 303 CB ALA A 23 15.759 6.321 2.880 1.00 0.00 C ATOM 0 H ALA A 23 15.643 4.559 4.594 1.00 0.00 H new ATOM 0 HA ALA A 23 14.604 7.141 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.609 7.178 2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.699 6.438 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.794 5.409 2.285 1.00 0.00 H new ATOM 309 N VAL A 24 12.976 4.968 2.605 1.00 0.00 N ATOM 310 CA VAL A 24 11.731 4.756 1.879 1.00 0.00 C ATOM 311 C VAL A 24 10.530 4.975 2.790 1.00 0.00 C ATOM 312 O VAL A 24 9.537 5.580 2.387 1.00 0.00 O ATOM 313 CB VAL A 24 11.653 3.339 1.280 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.383 3.175 0.459 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.883 3.046 0.436 1.00 0.00 C ATOM 0 H VAL A 24 13.577 4.146 2.663 1.00 0.00 H new ATOM 0 HA VAL A 24 11.713 5.481 1.065 1.00 0.00 H new ATOM 0 HB VAL A 24 11.624 2.620 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.346 2.168 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.514 3.337 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.378 3.902 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.809 2.040 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.947 3.769 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.776 3.118 1.057 1.00 0.00 H new ATOM 325 N VAL A 25 10.628 4.478 4.021 1.00 0.00 N ATOM 326 CA VAL A 25 9.551 4.624 4.991 1.00 0.00 C ATOM 327 C VAL A 25 9.135 6.085 5.118 1.00 0.00 C ATOM 328 O VAL A 25 7.945 6.401 5.154 1.00 0.00 O ATOM 329 CB VAL A 25 9.962 4.094 6.378 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.837 4.292 7.383 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.354 2.627 6.292 1.00 0.00 C ATOM 0 H VAL A 25 11.442 3.971 4.368 1.00 0.00 H new ATOM 0 HA VAL A 25 8.710 4.034 4.627 1.00 0.00 H new ATOM 0 HB VAL A 25 10.828 4.661 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.147 3.911 8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.606 5.354 7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.951 3.753 7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.642 2.269 7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.508 2.045 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.194 2.514 5.607 1.00 0.00 H new ATOM 341 N GLY A 26 10.124 6.971 5.184 1.00 0.00 N ATOM 342 CA GLY A 26 9.843 8.390 5.297 1.00 0.00 C ATOM 343 C GLY A 26 9.086 8.920 4.096 1.00 0.00 C ATOM 344 O GLY A 26 8.060 9.588 4.244 1.00 0.00 O ATOM 0 H GLY A 26 11.115 6.731 5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.262 8.573 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.780 8.937 5.404 1.00 0.00 H new ATOM 348 N TYR A 27 9.591 8.618 2.901 1.00 0.00 N ATOM 349 CA TYR A 27 8.953 9.066 1.670 1.00 0.00 C ATOM 350 C TYR A 27 7.504 8.590 1.608 1.00 0.00 C ATOM 351 O TYR A 27 6.642 9.270 1.053 1.00 0.00 O ATOM 352 CB TYR A 27 9.724 8.555 0.448 1.00 0.00 C ATOM 353 CG TYR A 27 11.168 9.008 0.400 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.504 10.350 0.542 1.00 0.00 C ATOM 355 CD2 TYR A 27 12.196 8.091 0.210 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.822 10.764 0.497 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.516 8.499 0.165 1.00 0.00 C ATOM 358 CZ TYR A 27 13.823 9.836 0.308 1.00 0.00 C ATOM 359 OH TYR A 27 15.135 10.245 0.264 1.00 0.00 O ATOM 0 H TYR A 27 10.438 8.066 2.762 1.00 0.00 H new ATOM 0 HA TYR A 27 8.963 10.156 1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.695 7.465 0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.217 8.892 -0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.722 11.081 0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.959 7.043 0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.066 11.810 0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.303 7.774 0.019 1.00 0.00 H new ATOM 0 HH TYR A 27 15.716 9.468 0.126 1.00 0.00 H new ATOM 369 N LEU A 28 7.245 7.420 2.186 1.00 0.00 N ATOM 370 CA LEU A 28 5.900 6.856 2.200 1.00 0.00 C ATOM 371 C LEU A 28 4.987 7.657 3.122 1.00 0.00 C ATOM 372 O LEU A 28 3.840 7.941 2.779 1.00 0.00 O ATOM 373 CB LEU A 28 5.937 5.391 2.647 1.00 0.00 C ATOM 374 CG LEU A 28 6.681 4.440 1.708 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.832 3.069 2.348 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.951 4.326 0.377 1.00 0.00 C ATOM 0 H LEU A 28 7.948 6.845 2.650 1.00 0.00 H new ATOM 0 HA LEU A 28 5.503 6.907 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.402 5.340 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.912 5.037 2.759 1.00 0.00 H new ATOM 0 HG LEU A 28 7.675 4.847 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.364 2.406 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.395 3.161 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.846 2.656 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.494 3.646 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.945 3.942 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.890 5.309 -0.090 1.00 0.00 H new ATOM 388 N GLU A 29 5.506 8.019 4.294 1.00 0.00 N ATOM 389 CA GLU A 29 4.738 8.791 5.266 1.00 0.00 C ATOM 390 C GLU A 29 4.228 10.087 4.647 1.00 0.00 C ATOM 391 O GLU A 29 3.120 10.533 4.943 1.00 0.00 O ATOM 392 CB GLU A 29 5.591 9.100 6.497 1.00 0.00 C ATOM 393 CG GLU A 29 5.987 7.866 7.291 1.00 0.00 C ATOM 394 CD GLU A 29 6.856 8.197 8.488 1.00 0.00 C ATOM 395 OE1 GLU A 29 8.089 8.292 8.318 1.00 0.00 O ATOM 396 OE2 GLU A 29 6.303 8.362 9.596 1.00 0.00 O ATOM 0 H GLU A 29 6.454 7.790 4.592 1.00 0.00 H new ATOM 0 HA GLU A 29 3.880 8.192 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.494 9.623 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.041 9.779 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.087 7.353 7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.521 7.175 6.639 1.00 0.00 H new ATOM 403 N ASP A 30 5.046 10.689 3.789 1.00 0.00 N ATOM 404 CA ASP A 30 4.671 11.933 3.124 1.00 0.00 C ATOM 405 C ASP A 30 3.479 11.714 2.198 1.00 0.00 C ATOM 406 O ASP A 30 2.649 12.605 2.018 1.00 0.00 O ATOM 407 CB ASP A 30 5.853 12.491 2.329 1.00 0.00 C ATOM 408 CG ASP A 30 6.991 12.941 3.224 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.952 14.097 3.697 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.919 12.139 3.453 1.00 0.00 O ATOM 0 H ASP A 30 5.970 10.337 3.538 1.00 0.00 H new ATOM 0 HA ASP A 30 4.388 12.654 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.216 11.729 1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.516 13.333 1.724 1.00 0.00 H new ATOM 415 N ILE A 31 3.401 10.523 1.613 1.00 0.00 N ATOM 416 CA ILE A 31 2.311 10.187 0.705 1.00 0.00 C ATOM 417 C ILE A 31 1.029 9.878 1.474 1.00 0.00 C ATOM 418 O ILE A 31 -0.068 10.220 1.032 1.00 0.00 O ATOM 419 CB ILE A 31 2.672 8.980 -0.184 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.997 9.235 -0.910 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.556 8.705 -1.184 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.485 8.053 -1.720 1.00 0.00 C ATOM 0 H ILE A 31 4.080 9.775 1.752 1.00 0.00 H new ATOM 0 HA ILE A 31 2.147 11.058 0.070 1.00 0.00 H new ATOM 0 HB ILE A 31 2.789 8.101 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.879 10.093 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.758 9.500 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.826 7.850 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.632 8.487 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.410 9.581 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.427 8.308 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.636 7.198 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.744 7.800 -2.478 1.00 0.00 H new ATOM 434 N ILE A 32 1.173 9.231 2.627 1.00 0.00 N ATOM 435 CA ILE A 32 0.023 8.880 3.455 1.00 0.00 C ATOM 436 C ILE A 32 -0.686 10.132 3.960 1.00 0.00 C ATOM 437 O ILE A 32 -1.914 10.168 4.052 1.00 0.00 O ATOM 438 CB ILE A 32 0.440 8.015 4.663 1.00 0.00 C ATOM 439 CG1 ILE A 32 1.163 6.753 4.189 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.780 7.650 5.502 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.784 5.951 5.313 1.00 0.00 C ATOM 0 H ILE A 32 2.073 8.940 3.009 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.658 8.305 2.827 1.00 0.00 H new ATOM 0 HB ILE A 32 1.125 8.592 5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.457 6.121 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.943 7.035 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.469 7.040 6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.257 8.560 5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.487 7.089 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.279 5.071 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.515 6.566 5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.006 5.638 6.009 1.00 0.00 H new ATOM 453 N MET A 33 0.095 11.159 4.282 1.00 0.00 N ATOM 454 CA MET A 33 -0.455 12.414 4.782 1.00 0.00 C ATOM 455 C MET A 33 -0.671 13.412 3.646 1.00 0.00 C ATOM 456 O MET A 33 -0.969 14.583 3.887 1.00 0.00 O ATOM 457 CB MET A 33 0.478 13.021 5.832 1.00 0.00 C ATOM 458 CG MET A 33 0.704 12.128 7.041 1.00 0.00 C ATOM 459 SD MET A 33 1.887 12.832 8.207 1.00 0.00 S ATOM 460 CE MET A 33 1.950 11.545 9.452 1.00 0.00 C ATOM 0 H MET A 33 1.112 11.146 4.205 1.00 0.00 H new ATOM 0 HA MET A 33 -1.420 12.197 5.239 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.440 13.238 5.368 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.063 13.972 6.167 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.246 11.961 7.548 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.063 11.154 6.708 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.642 11.836 10.242 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.956 11.400 9.876 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.290 10.615 8.997 1.00 0.00 H new ATOM 470 N ASP A 34 -0.521 12.944 2.410 1.00 0.00 N ATOM 471 CA ASP A 34 -0.698 13.799 1.242 1.00 0.00 C ATOM 472 C ASP A 34 -2.174 14.126 1.023 1.00 0.00 C ATOM 473 O ASP A 34 -3.036 13.255 1.140 1.00 0.00 O ATOM 474 CB ASP A 34 -0.120 13.124 -0.002 1.00 0.00 C ATOM 475 CG ASP A 34 -0.132 14.035 -1.214 1.00 0.00 C ATOM 476 OD1 ASP A 34 -1.152 14.053 -1.932 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.879 14.732 -1.443 1.00 0.00 O ATOM 0 H ASP A 34 -0.277 11.978 2.192 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.163 14.732 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.903 12.809 0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.693 12.223 -0.222 1.00 0.00 H new ATOM 482 N ASP A 35 -2.453 15.384 0.697 1.00 0.00 N ATOM 483 CA ASP A 35 -3.822 15.835 0.469 1.00 0.00 C ATOM 484 C ASP A 35 -4.474 15.079 -0.684 1.00 0.00 C ATOM 485 O ASP A 35 -5.610 14.616 -0.571 1.00 0.00 O ATOM 486 CB ASP A 35 -3.844 17.336 0.185 1.00 0.00 C ATOM 487 CG ASP A 35 -3.273 18.147 1.332 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.008 18.386 2.312 1.00 0.00 O ATOM 489 OD2 ASP A 35 -2.090 18.540 1.250 1.00 0.00 O ATOM 0 H ASP A 35 -1.747 16.112 0.584 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.394 15.630 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.274 17.541 -0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.869 17.652 -0.006 1.00 0.00 H new ATOM 494 N GLU A 36 -3.752 14.956 -1.794 1.00 0.00 N ATOM 495 CA GLU A 36 -4.268 14.259 -2.967 1.00 0.00 C ATOM 496 C GLU A 36 -4.515 12.783 -2.662 1.00 0.00 C ATOM 497 O GLU A 36 -5.306 12.127 -3.337 1.00 0.00 O ATOM 498 CB GLU A 36 -3.293 14.388 -4.141 1.00 0.00 C ATOM 499 CG GLU A 36 -3.155 15.805 -4.676 1.00 0.00 C ATOM 500 CD GLU A 36 -2.498 16.748 -3.685 1.00 0.00 C ATOM 501 OE1 GLU A 36 -1.253 16.738 -3.592 1.00 0.00 O ATOM 502 OE2 GLU A 36 -3.230 17.497 -3.004 1.00 0.00 O ATOM 0 H GLU A 36 -2.809 15.329 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.217 14.722 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.312 14.032 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.625 13.736 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.569 15.786 -5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.142 16.188 -4.935 1.00 0.00 H new ATOM 509 N PHE A 37 -3.836 12.271 -1.640 1.00 0.00 N ATOM 510 CA PHE A 37 -3.976 10.870 -1.253 1.00 0.00 C ATOM 511 C PHE A 37 -5.258 10.640 -0.457 1.00 0.00 C ATOM 512 O PHE A 37 -5.967 9.659 -0.680 1.00 0.00 O ATOM 513 CB PHE A 37 -2.764 10.425 -0.432 1.00 0.00 C ATOM 514 CG PHE A 37 -2.811 8.979 -0.024 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.545 7.977 -0.945 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.119 8.624 1.279 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.586 6.647 -0.571 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.162 7.296 1.657 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.896 6.306 0.731 1.00 0.00 C ATOM 0 H PHE A 37 -3.184 12.804 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.031 10.275 -2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.858 10.601 -1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.695 11.044 0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.303 8.238 -1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.328 9.394 2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.376 5.875 -1.296 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.403 7.032 2.676 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.930 5.267 1.025 1.00 0.00 H new ATOM 529 N GLN A 38 -5.547 11.544 0.472 1.00 0.00 N ATOM 530 CA GLN A 38 -6.743 11.434 1.302 1.00 0.00 C ATOM 531 C GLN A 38 -8.009 11.607 0.469 1.00 0.00 C ATOM 532 O GLN A 38 -8.970 10.850 0.617 1.00 0.00 O ATOM 533 CB GLN A 38 -6.713 12.480 2.418 1.00 0.00 C ATOM 534 CG GLN A 38 -5.499 12.369 3.327 1.00 0.00 C ATOM 535 CD GLN A 38 -5.435 13.486 4.351 1.00 0.00 C ATOM 536 OE1 GLN A 38 -5.908 14.596 4.107 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.841 13.198 5.504 1.00 0.00 N ATOM 0 H GLN A 38 -4.970 12.362 0.670 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.753 10.437 1.742 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.733 13.475 1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.617 12.383 3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.522 11.409 3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.593 12.384 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.463 12.264 5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.763 13.911 6.230 1.00 0.00 H new ATOM 546 N LEU A 39 -8.001 12.604 -0.406 1.00 0.00 N ATOM 547 CA LEU A 39 -9.148 12.891 -1.260 1.00 0.00 C ATOM 548 C LEU A 39 -9.404 11.755 -2.247 1.00 0.00 C ATOM 549 O LEU A 39 -10.531 11.277 -2.377 1.00 0.00 O ATOM 550 CB LEU A 39 -8.921 14.200 -2.019 1.00 0.00 C ATOM 551 CG LEU A 39 -10.058 14.621 -2.953 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.325 14.912 -2.163 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.651 15.837 -3.772 1.00 0.00 C ATOM 0 H LEU A 39 -7.209 13.231 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.026 12.989 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.755 14.997 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.007 14.107 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.263 13.796 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.120 15.209 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.629 14.017 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.135 15.719 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.471 16.123 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.418 16.665 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.772 15.595 -4.370 1.00 0.00 H new ATOM 565 N LEU A 40 -8.352 11.330 -2.937 1.00 0.00 N ATOM 566 CA LEU A 40 -8.458 10.258 -3.924 1.00 0.00 C ATOM 567 C LEU A 40 -8.898 8.942 -3.283 1.00 0.00 C ATOM 568 O LEU A 40 -9.852 8.312 -3.737 1.00 0.00 O ATOM 569 CB LEU A 40 -7.116 10.079 -4.642 1.00 0.00 C ATOM 570 CG LEU A 40 -7.063 8.951 -5.675 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.183 9.346 -6.851 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.549 7.669 -5.037 1.00 0.00 C ATOM 0 H LEU A 40 -7.412 11.712 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.222 10.540 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.863 11.015 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.345 9.898 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.074 8.774 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.157 8.532 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.588 10.240 -7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.172 9.549 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.518 6.877 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.547 7.835 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.214 7.375 -4.225 1.00 0.00 H new ATOM 584 N GLN A 41 -8.200 8.534 -2.227 1.00 0.00 N ATOM 585 CA GLN A 41 -8.511 7.284 -1.534 1.00 0.00 C ATOM 586 C GLN A 41 -9.976 7.228 -1.100 1.00 0.00 C ATOM 587 O GLN A 41 -10.656 6.225 -1.318 1.00 0.00 O ATOM 588 CB GLN A 41 -7.603 7.112 -0.313 1.00 0.00 C ATOM 589 CG GLN A 41 -7.823 5.803 0.430 1.00 0.00 C ATOM 590 CD GLN A 41 -7.493 4.587 -0.414 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.362 4.100 -0.405 1.00 0.00 O ATOM 592 NE2 GLN A 41 -8.480 4.093 -1.153 1.00 0.00 N ATOM 0 H GLN A 41 -7.414 9.050 -1.831 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.335 6.469 -2.236 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.563 7.168 -0.634 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.770 7.942 0.373 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.208 5.793 1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.862 5.744 0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.402 4.529 -1.130 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.316 3.278 -1.744 1.00 0.00 H new ATOM 601 N ARG A 42 -10.455 8.304 -0.487 1.00 0.00 N ATOM 602 CA ARG A 42 -11.835 8.365 -0.012 1.00 0.00 C ATOM 603 C ARG A 42 -12.823 8.457 -1.172 1.00 0.00 C ATOM 604 O ARG A 42 -13.913 7.888 -1.117 1.00 0.00 O ATOM 605 CB ARG A 42 -12.021 9.566 0.918 1.00 0.00 C ATOM 606 CG ARG A 42 -13.411 9.657 1.526 1.00 0.00 C ATOM 607 CD ARG A 42 -13.539 10.861 2.446 1.00 0.00 C ATOM 608 NE ARG A 42 -14.864 10.945 3.054 1.00 0.00 N ATOM 609 CZ ARG A 42 -15.272 11.971 3.797 1.00 0.00 C ATOM 610 NH1 ARG A 42 -14.464 12.998 4.019 1.00 0.00 N ATOM 611 NH2 ARG A 42 -16.492 11.969 4.316 1.00 0.00 N ATOM 0 H ARG A 42 -9.910 9.147 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.037 7.444 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.286 9.510 1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.817 10.481 0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.153 9.725 0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.625 8.746 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.784 10.801 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.341 11.772 1.881 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.514 10.174 2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.525 13.004 3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.781 13.782 4.589 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.117 11.181 4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.805 12.755 4.886 1.00 0.00 H new ATOM 625 N ASN A 43 -12.434 9.172 -2.221 1.00 0.00 N ATOM 626 CA ASN A 43 -13.293 9.356 -3.389 1.00 0.00 C ATOM 627 C ASN A 43 -13.647 8.024 -4.044 1.00 0.00 C ATOM 628 O ASN A 43 -14.805 7.782 -4.386 1.00 0.00 O ATOM 629 CB ASN A 43 -12.607 10.267 -4.409 1.00 0.00 C ATOM 630 CG ASN A 43 -13.547 10.718 -5.512 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.473 10.001 -5.890 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.312 11.915 -6.035 1.00 0.00 N ATOM 0 H ASN A 43 -11.528 9.635 -2.289 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.218 9.820 -3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.206 11.142 -3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.761 9.740 -4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.910 12.273 -6.780 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.533 12.477 -5.692 1.00 0.00 H new ATOM 639 N PHE A 44 -12.650 7.165 -4.219 1.00 0.00 N ATOM 640 CA PHE A 44 -12.865 5.869 -4.850 1.00 0.00 C ATOM 641 C PHE A 44 -13.487 4.863 -3.886 1.00 0.00 C ATOM 642 O PHE A 44 -14.340 4.068 -4.279 1.00 0.00 O ATOM 643 CB PHE A 44 -11.548 5.321 -5.404 1.00 0.00 C ATOM 644 CG PHE A 44 -11.109 5.993 -6.674 1.00 0.00 C ATOM 645 CD1 PHE A 44 -11.608 5.580 -7.898 1.00 0.00 C ATOM 646 CD2 PHE A 44 -10.199 7.037 -6.644 1.00 0.00 C ATOM 647 CE1 PHE A 44 -11.210 6.195 -9.069 1.00 0.00 C ATOM 648 CE2 PHE A 44 -9.796 7.657 -7.811 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.302 7.236 -9.025 1.00 0.00 C ATOM 0 H PHE A 44 -11.687 7.342 -3.934 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.566 6.019 -5.671 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.769 5.439 -4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.656 4.252 -5.586 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.317 4.767 -7.937 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.800 7.370 -5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.607 5.863 -10.017 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.086 8.470 -7.774 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.989 7.719 -9.939 1.00 0.00 H new ATOM 659 N MET A 45 -13.068 4.901 -2.624 1.00 0.00 N ATOM 660 CA MET A 45 -13.590 3.973 -1.625 1.00 0.00 C ATOM 661 C MET A 45 -15.097 4.147 -1.445 1.00 0.00 C ATOM 662 O MET A 45 -15.795 3.212 -1.052 1.00 0.00 O ATOM 663 CB MET A 45 -12.870 4.162 -0.285 1.00 0.00 C ATOM 664 CG MET A 45 -13.491 5.219 0.614 1.00 0.00 C ATOM 665 SD MET A 45 -12.643 5.363 2.199 1.00 0.00 S ATOM 666 CE MET A 45 -12.895 3.722 2.870 1.00 0.00 C ATOM 0 H MET A 45 -12.374 5.559 -2.271 1.00 0.00 H new ATOM 0 HA MET A 45 -13.405 2.960 -1.982 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.860 3.210 0.246 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.831 4.430 -0.478 1.00 0.00 H new ATOM 0 HG2 MET A 45 -13.469 6.183 0.105 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.539 4.974 0.787 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.809 3.756 3.956 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.888 3.365 2.595 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.142 3.045 2.467 1.00 0.00 H new ATOM 676 N ASP A 46 -15.590 5.348 -1.732 1.00 0.00 N ATOM 677 CA ASP A 46 -17.017 5.643 -1.605 1.00 0.00 C ATOM 678 C ASP A 46 -17.856 4.691 -2.454 1.00 0.00 C ATOM 679 O ASP A 46 -18.990 4.370 -2.102 1.00 0.00 O ATOM 680 CB ASP A 46 -17.308 7.090 -2.015 1.00 0.00 C ATOM 681 CG ASP A 46 -16.814 8.095 -0.994 1.00 0.00 C ATOM 682 OD1 ASP A 46 -17.047 7.876 0.215 1.00 0.00 O ATOM 683 OD2 ASP A 46 -16.203 9.104 -1.400 1.00 0.00 O ATOM 0 H ASP A 46 -15.025 6.133 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.288 5.506 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.837 7.293 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -18.382 7.216 -2.153 1.00 0.00 H new ATOM 688 N LYS A 47 -17.295 4.249 -3.575 1.00 0.00 N ATOM 689 CA LYS A 47 -17.996 3.336 -4.472 1.00 0.00 C ATOM 690 C LYS A 47 -17.583 1.889 -4.225 1.00 0.00 C ATOM 691 O LYS A 47 -18.400 0.973 -4.325 1.00 0.00 O ATOM 692 CB LYS A 47 -17.723 3.712 -5.929 1.00 0.00 C ATOM 693 CG LYS A 47 -18.384 5.013 -6.360 1.00 0.00 C ATOM 694 CD LYS A 47 -19.898 4.925 -6.266 1.00 0.00 C ATOM 695 CE LYS A 47 -20.561 6.225 -6.692 1.00 0.00 C ATOM 696 NZ LYS A 47 -22.041 6.164 -6.542 1.00 0.00 N ATOM 0 H LYS A 47 -16.358 4.508 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.063 3.425 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.646 3.795 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.073 2.906 -6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.026 5.830 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.095 5.248 -7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.256 4.110 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.186 4.687 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.168 7.047 -6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.309 6.439 -7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.458 7.068 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.418 5.396 -7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -22.282 5.985 -5.546 1.00 0.00 H new ATOM 710 N TYR A 48 -16.312 1.691 -3.908 1.00 0.00 N ATOM 711 CA TYR A 48 -15.784 0.356 -3.648 1.00 0.00 C ATOM 712 C TYR A 48 -16.518 -0.321 -2.493 1.00 0.00 C ATOM 713 O TYR A 48 -16.965 -1.460 -2.618 1.00 0.00 O ATOM 714 CB TYR A 48 -14.290 0.430 -3.340 1.00 0.00 C ATOM 715 CG TYR A 48 -13.411 0.415 -4.572 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.526 1.400 -5.544 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.465 -0.584 -4.760 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.722 1.390 -6.668 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.657 -0.601 -5.882 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.791 0.389 -6.832 1.00 0.00 C ATOM 721 OH TYR A 48 -10.988 0.375 -7.950 1.00 0.00 O ATOM 0 H TYR A 48 -15.624 2.439 -3.824 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.940 -0.242 -4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.090 1.339 -2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.018 -0.410 -2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.256 2.187 -5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.359 -1.361 -4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.824 2.164 -7.414 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.926 -1.385 -6.013 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.048 0.431 -7.678 1.00 0.00 H new ATOM 731 N TYR A 49 -16.645 0.384 -1.371 1.00 0.00 N ATOM 732 CA TYR A 49 -17.314 -0.170 -0.197 1.00 0.00 C ATOM 733 C TYR A 49 -18.774 -0.504 -0.502 1.00 0.00 C ATOM 734 O TYR A 49 -19.416 -1.247 0.240 1.00 0.00 O ATOM 735 CB TYR A 49 -17.210 0.800 0.988 1.00 0.00 C ATOM 736 CG TYR A 49 -18.443 1.649 1.225 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.633 2.840 0.537 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.410 1.261 2.144 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.753 3.620 0.758 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.532 2.034 2.369 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.699 3.212 1.674 1.00 0.00 C ATOM 742 OH TYR A 49 -21.815 3.985 1.895 1.00 0.00 O ATOM 0 H TYR A 49 -16.296 1.335 -1.250 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.811 -1.098 0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.002 0.227 1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.358 1.460 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.894 3.162 -0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.282 0.339 2.692 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.886 4.544 0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.275 1.717 3.086 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.382 3.556 2.569 1.00 0.00 H new ATOM 752 N LEU A 50 -19.291 0.045 -1.598 1.00 0.00 N ATOM 753 CA LEU A 50 -20.672 -0.208 -1.996 1.00 0.00 C ATOM 754 C LEU A 50 -20.794 -1.557 -2.694 1.00 0.00 C ATOM 755 O LEU A 50 -21.681 -2.350 -2.380 1.00 0.00 O ATOM 756 CB LEU A 50 -21.185 0.905 -2.914 1.00 0.00 C ATOM 757 CG LEU A 50 -21.378 2.264 -2.240 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.775 3.318 -3.262 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.426 2.165 -1.142 1.00 0.00 C ATOM 0 H LEU A 50 -18.777 0.665 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.283 -0.225 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.486 1.023 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.137 0.591 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.431 2.564 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.908 4.278 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.993 3.406 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.710 3.026 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.553 3.140 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.375 1.844 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.103 1.440 -0.395 1.00 0.00 H new ATOM 771 N GLU A 51 -19.896 -1.812 -3.641 1.00 0.00 N ATOM 772 CA GLU A 51 -19.904 -3.072 -4.377 1.00 0.00 C ATOM 773 C GLU A 51 -19.629 -4.246 -3.444 1.00 0.00 C ATOM 774 O GLU A 51 -20.196 -5.327 -3.605 1.00 0.00 O ATOM 775 CB GLU A 51 -18.865 -3.041 -5.500 1.00 0.00 C ATOM 776 CG GLU A 51 -19.193 -2.052 -6.607 1.00 0.00 C ATOM 777 CD GLU A 51 -20.528 -2.335 -7.268 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.615 -3.319 -8.033 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.487 -1.576 -7.018 1.00 0.00 O ATOM 0 H GLU A 51 -19.156 -1.166 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.894 -3.202 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.892 -2.790 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.778 -4.039 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.203 -1.043 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.406 -2.082 -7.360 1.00 0.00 H new ATOM 786 N PHE A 52 -18.762 -4.026 -2.461 1.00 0.00 N ATOM 787 CA PHE A 52 -18.415 -5.071 -1.505 1.00 0.00 C ATOM 788 C PHE A 52 -19.479 -5.188 -0.418 1.00 0.00 C ATOM 789 O PHE A 52 -19.365 -4.582 0.647 1.00 0.00 O ATOM 790 CB PHE A 52 -17.046 -4.796 -0.879 1.00 0.00 C ATOM 791 CG PHE A 52 -15.894 -5.116 -1.790 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.595 -4.296 -2.866 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.112 -6.240 -1.572 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.537 -4.590 -3.706 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.053 -6.538 -2.408 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.765 -5.712 -3.476 1.00 0.00 C ATOM 0 H PHE A 52 -18.288 -3.136 -2.306 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.368 -6.018 -2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -16.991 -3.746 -0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -16.949 -5.382 0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.195 -3.417 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.333 -6.890 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.314 -3.943 -4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.451 -7.416 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.937 -5.943 -4.131 1.00 0.00 H new ATOM 806 N GLU A 53 -20.519 -5.965 -0.704 1.00 0.00 N ATOM 807 CA GLU A 53 -21.609 -6.168 0.245 1.00 0.00 C ATOM 808 C GLU A 53 -21.318 -7.346 1.167 1.00 0.00 C ATOM 809 O GLU A 53 -20.670 -8.315 0.768 1.00 0.00 O ATOM 810 CB GLU A 53 -22.923 -6.406 -0.503 1.00 0.00 C ATOM 811 CG GLU A 53 -23.320 -5.257 -1.415 1.00 0.00 C ATOM 812 CD GLU A 53 -24.596 -5.536 -2.182 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.687 -5.241 -1.649 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.507 -6.048 -3.318 1.00 0.00 O ATOM 0 H GLU A 53 -20.630 -6.465 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.699 -5.268 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.834 -7.316 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.719 -6.575 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.449 -4.353 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.512 -5.062 -2.120 1.00 0.00 H new ATOM 821 N ASP A 54 -21.799 -7.257 2.403 1.00 0.00 N ATOM 822 CA ASP A 54 -21.590 -8.318 3.382 1.00 0.00 C ATOM 823 C ASP A 54 -22.608 -9.438 3.196 1.00 0.00 C ATOM 824 O ASP A 54 -23.685 -9.419 3.792 1.00 0.00 O ATOM 825 CB ASP A 54 -21.686 -7.759 4.803 1.00 0.00 C ATOM 826 CG ASP A 54 -21.429 -8.818 5.857 1.00 0.00 C ATOM 827 OD1 ASP A 54 -22.398 -9.482 6.280 1.00 0.00 O ATOM 828 OD2 ASP A 54 -20.257 -8.983 6.258 1.00 0.00 O ATOM 0 H ASP A 54 -22.336 -6.462 2.750 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.592 -8.727 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -20.966 -6.949 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.676 -7.330 4.956 1.00 0.00 H new ATOM 833 N THR A 55 -22.262 -10.412 2.360 1.00 0.00 N ATOM 834 CA THR A 55 -23.144 -11.543 2.097 1.00 0.00 C ATOM 835 C THR A 55 -22.351 -12.835 1.948 1.00 0.00 C ATOM 836 O THR A 55 -21.129 -12.811 1.790 1.00 0.00 O ATOM 837 CB THR A 55 -23.984 -11.325 0.826 1.00 0.00 C ATOM 838 OG1 THR A 55 -23.129 -11.025 -0.284 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.985 -10.197 1.022 1.00 0.00 C ATOM 0 H THR A 55 -21.377 -10.440 1.853 1.00 0.00 H new ATOM 0 HA THR A 55 -23.813 -11.623 2.954 1.00 0.00 H new ATOM 0 HB THR A 55 -24.534 -12.244 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.850 -11.859 -0.717 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.566 -10.063 0.109 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.655 -10.444 1.846 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.453 -9.274 1.252 1.00 0.00 H new ATOM 847 N GLU A 56 -23.053 -13.961 1.998 1.00 0.00 N ATOM 848 CA GLU A 56 -22.416 -15.265 1.869 1.00 0.00 C ATOM 849 C GLU A 56 -21.955 -15.503 0.434 1.00 0.00 C ATOM 850 O GLU A 56 -20.820 -15.917 0.197 1.00 0.00 O ATOM 851 CB GLU A 56 -23.378 -16.375 2.301 1.00 0.00 C ATOM 852 CG GLU A 56 -23.754 -16.322 3.774 1.00 0.00 C ATOM 853 CD GLU A 56 -24.619 -15.124 4.117 1.00 0.00 C ATOM 854 OE1 GLU A 56 -25.843 -15.189 3.880 1.00 0.00 O ATOM 855 OE2 GLU A 56 -24.072 -14.123 4.625 1.00 0.00 O ATOM 0 H GLU A 56 -24.064 -13.997 2.127 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.543 -15.281 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.286 -16.310 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.923 -17.342 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -24.284 -17.236 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -22.845 -16.292 4.375 1.00 0.00 H new ATOM 862 N GLU A 57 -22.843 -15.235 -0.520 1.00 0.00 N ATOM 863 CA GLU A 57 -22.530 -15.419 -1.933 1.00 0.00 C ATOM 864 C GLU A 57 -21.776 -14.212 -2.485 1.00 0.00 C ATOM 865 O GLU A 57 -21.952 -13.090 -2.010 1.00 0.00 O ATOM 866 CB GLU A 57 -23.813 -15.640 -2.736 1.00 0.00 C ATOM 867 CG GLU A 57 -24.606 -16.858 -2.293 1.00 0.00 C ATOM 868 CD GLU A 57 -25.887 -17.038 -3.084 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.835 -17.662 -4.164 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.943 -16.553 -2.623 1.00 0.00 O ATOM 0 H GLU A 57 -23.786 -14.889 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.893 -16.299 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.443 -14.755 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.558 -15.747 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.988 -17.749 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.847 -16.765 -1.234 1.00 0.00 H new ATOM 877 N ASN A 58 -20.938 -14.450 -3.490 1.00 0.00 N ATOM 878 CA ASN A 58 -20.159 -13.381 -4.105 1.00 0.00 C ATOM 879 C ASN A 58 -20.473 -13.261 -5.593 1.00 0.00 C ATOM 880 O ASN A 58 -21.298 -14.004 -6.126 1.00 0.00 O ATOM 881 CB ASN A 58 -18.662 -13.632 -3.908 1.00 0.00 C ATOM 882 CG ASN A 58 -18.207 -14.939 -4.530 1.00 0.00 C ATOM 883 OD1 ASN A 58 -18.204 -15.982 -3.878 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.818 -14.885 -5.799 1.00 0.00 N ATOM 0 H ASN A 58 -20.781 -15.373 -3.895 1.00 0.00 H new ATOM 0 HA ASN A 58 -20.432 -12.445 -3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.098 -12.809 -4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.435 -13.642 -2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.500 -15.731 -6.271 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.837 -13.997 -6.301 1.00 0.00 H new ATOM 891 N LYS A 59 -19.809 -12.320 -6.258 1.00 0.00 N ATOM 892 CA LYS A 59 -20.016 -12.099 -7.684 1.00 0.00 C ATOM 893 C LYS A 59 -18.681 -12.001 -8.418 1.00 0.00 C ATOM 894 O LYS A 59 -17.625 -11.898 -7.792 1.00 0.00 O ATOM 895 CB LYS A 59 -20.831 -10.823 -7.908 1.00 0.00 C ATOM 896 CG LYS A 59 -22.173 -10.828 -7.194 1.00 0.00 C ATOM 897 CD LYS A 59 -22.912 -9.510 -7.378 1.00 0.00 C ATOM 898 CE LYS A 59 -23.314 -9.290 -8.828 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.077 -8.022 -9.006 1.00 0.00 N ATOM 0 H LYS A 59 -19.123 -11.698 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.568 -12.950 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.250 -9.966 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.998 -10.691 -8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.785 -11.645 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -22.019 -11.014 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.801 -9.500 -6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.278 -8.688 -7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.421 -9.267 -9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.920 -10.130 -9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.333 -7.908 -10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.942 -8.053 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.490 -7.218 -8.705 1.00 0.00 H new ATOM 913 N LEU A 60 -18.734 -12.041 -9.745 1.00 0.00 N ATOM 914 CA LEU A 60 -17.528 -11.958 -10.562 1.00 0.00 C ATOM 915 C LEU A 60 -17.068 -10.508 -10.719 1.00 0.00 C ATOM 916 O LEU A 60 -15.972 -10.247 -11.217 1.00 0.00 O ATOM 917 CB LEU A 60 -17.779 -12.586 -11.938 1.00 0.00 C ATOM 918 CG LEU A 60 -16.549 -12.693 -12.844 1.00 0.00 C ATOM 919 CD1 LEU A 60 -15.487 -13.579 -12.207 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.942 -13.232 -14.211 1.00 0.00 C ATOM 0 H LEU A 60 -19.599 -12.130 -10.278 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.736 -12.511 -10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.191 -13.585 -11.793 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -18.539 -11.999 -12.453 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.130 -11.695 -12.972 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.622 -13.642 -12.867 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.184 -13.153 -11.251 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.894 -14.577 -12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.057 -13.302 -14.843 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.386 -14.221 -14.098 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.665 -12.560 -14.673 1.00 0.00 H new ATOM 932 N ILE A 61 -17.906 -9.571 -10.284 1.00 0.00 N ATOM 933 CA ILE A 61 -17.583 -8.149 -10.383 1.00 0.00 C ATOM 934 C ILE A 61 -16.407 -7.785 -9.477 1.00 0.00 C ATOM 935 O ILE A 61 -15.809 -6.716 -9.615 1.00 0.00 O ATOM 936 CB ILE A 61 -18.802 -7.270 -10.018 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.582 -5.826 -10.477 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.070 -7.319 -8.521 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.563 -5.661 -11.983 1.00 0.00 C ATOM 0 H ILE A 61 -18.812 -9.769 -9.860 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.306 -7.957 -11.419 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.676 -7.666 -10.536 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.370 -5.198 -10.062 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.638 -5.464 -10.069 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.931 -6.694 -8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.274 -8.347 -8.221 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.196 -6.951 -7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.403 -4.612 -12.232 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.757 -6.261 -12.405 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.516 -5.991 -12.397 1.00 0.00 H new ATOM 951 N TYR A 62 -16.074 -8.685 -8.558 1.00 0.00 N ATOM 952 CA TYR A 62 -14.975 -8.458 -7.626 1.00 0.00 C ATOM 953 C TYR A 62 -13.622 -8.533 -8.332 1.00 0.00 C ATOM 954 O TYR A 62 -12.629 -7.997 -7.841 1.00 0.00 O ATOM 955 CB TYR A 62 -15.025 -9.479 -6.488 1.00 0.00 C ATOM 956 CG TYR A 62 -16.184 -9.276 -5.537 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.493 -9.485 -5.950 1.00 0.00 C ATOM 958 CD2 TYR A 62 -15.967 -8.879 -4.223 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.554 -9.305 -5.083 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.022 -8.696 -3.350 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.312 -8.910 -3.784 1.00 0.00 C ATOM 962 OH TYR A 62 -19.365 -8.731 -2.917 1.00 0.00 O ATOM 0 H TYR A 62 -16.550 -9.579 -8.438 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.089 -7.455 -7.215 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.087 -10.481 -6.913 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.093 -9.429 -5.926 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.685 -9.794 -6.967 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -14.957 -8.711 -3.879 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.566 -9.473 -5.421 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.836 -8.387 -2.332 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.024 -8.453 -2.041 1.00 0.00 H new ATOM 972 N THR A 63 -13.586 -9.199 -9.486 1.00 0.00 N ATOM 973 CA THR A 63 -12.345 -9.337 -10.244 1.00 0.00 C ATOM 974 C THR A 63 -11.957 -8.025 -10.937 1.00 0.00 C ATOM 975 O THR A 63 -10.828 -7.557 -10.781 1.00 0.00 O ATOM 976 CB THR A 63 -12.436 -10.466 -11.294 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.747 -11.709 -10.653 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.128 -10.602 -12.061 1.00 0.00 C ATOM 0 H THR A 63 -14.396 -9.648 -9.913 1.00 0.00 H new ATOM 0 HA THR A 63 -11.571 -9.595 -9.521 1.00 0.00 H new ATOM 0 HB THR A 63 -13.228 -10.211 -11.998 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.804 -12.419 -11.326 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.218 -11.404 -12.794 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.907 -9.665 -12.573 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.321 -10.835 -11.366 1.00 0.00 H new ATOM 986 N PRO A 64 -12.876 -7.406 -11.713 1.00 0.00 N ATOM 987 CA PRO A 64 -12.589 -6.144 -12.404 1.00 0.00 C ATOM 988 C PRO A 64 -12.348 -4.996 -11.431 1.00 0.00 C ATOM 989 O PRO A 64 -11.479 -4.153 -11.656 1.00 0.00 O ATOM 990 CB PRO A 64 -13.847 -5.883 -13.239 1.00 0.00 C ATOM 991 CG PRO A 64 -14.920 -6.678 -12.581 1.00 0.00 C ATOM 992 CD PRO A 64 -14.244 -7.882 -11.992 1.00 0.00 C ATOM 0 HA PRO A 64 -11.680 -6.211 -13.002 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.096 -4.822 -13.256 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.705 -6.193 -14.274 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.419 -6.094 -11.808 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.684 -6.973 -13.301 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.745 -8.220 -11.084 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.243 -8.722 -12.687 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.123 -4.965 -10.349 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.982 -3.917 -9.344 1.00 0.00 C ATOM 1002 C ILE A 65 -11.613 -3.991 -8.675 1.00 0.00 C ATOM 1003 O ILE A 65 -10.950 -2.971 -8.477 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.081 -4.012 -8.265 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.461 -3.787 -8.891 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.827 -3.000 -7.156 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.609 -4.073 -7.946 1.00 0.00 C ATOM 0 H ILE A 65 -13.851 -5.650 -10.147 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.084 -2.963 -9.861 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.056 -5.011 -7.831 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.532 -2.754 -9.233 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.559 -4.422 -9.771 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.611 -3.080 -6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.860 -3.200 -6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.828 -1.994 -7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.555 -3.892 -8.457 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.564 -5.113 -7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.536 -3.420 -7.077 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.195 -5.205 -8.329 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.906 -5.416 -7.683 1.00 0.00 C ATOM 1021 C PHE A 66 -8.766 -4.928 -8.574 1.00 0.00 C ATOM 1022 O PHE A 66 -7.849 -4.252 -8.109 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.714 -6.898 -7.351 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.436 -7.190 -6.618 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.325 -6.923 -5.262 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.347 -7.728 -7.283 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.149 -7.188 -4.585 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.170 -7.996 -6.612 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.071 -7.725 -5.260 1.00 0.00 C ATOM 0 H PHE A 66 -11.732 -6.058 -8.486 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.892 -4.840 -6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.555 -7.238 -6.747 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.732 -7.474 -8.276 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.166 -6.504 -4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.419 -7.941 -8.339 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.074 -6.975 -3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.328 -8.417 -7.143 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.152 -7.933 -4.733 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.833 -5.277 -9.856 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.810 -4.871 -10.814 1.00 0.00 C ATOM 1041 C ASN A 67 -7.723 -3.352 -10.901 1.00 0.00 C ATOM 1042 O ASN A 67 -6.635 -2.788 -11.029 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.111 -5.455 -12.194 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.130 -6.972 -12.187 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.431 -7.608 -11.399 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.932 -7.558 -13.067 1.00 0.00 N ATOM 0 H ASN A 67 -9.585 -5.840 -10.255 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.850 -5.255 -10.468 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.075 -5.084 -12.540 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.361 -5.107 -12.905 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.986 -8.576 -13.109 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.494 -6.991 -13.702 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.876 -2.693 -10.832 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.931 -1.237 -10.896 1.00 0.00 C ATOM 1055 C GLU A 68 -8.204 -0.620 -9.706 1.00 0.00 C ATOM 1056 O GLU A 68 -7.592 0.441 -9.823 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.384 -0.757 -10.925 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.526 0.757 -10.970 1.00 0.00 C ATOM 1059 CD GLU A 68 -9.891 1.366 -12.205 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -8.691 1.705 -12.149 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -10.595 1.505 -13.227 1.00 0.00 O ATOM 0 H GLU A 68 -9.785 -3.145 -10.732 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.436 -0.918 -11.813 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.882 -1.186 -11.795 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.900 -1.136 -10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.583 1.020 -10.943 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.067 1.188 -10.080 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.282 -1.291 -8.563 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.633 -0.815 -7.347 1.00 0.00 C ATOM 1070 C TYR A 69 -6.114 -0.912 -7.467 1.00 0.00 C ATOM 1071 O TYR A 69 -5.385 -0.050 -6.976 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.116 -1.628 -6.144 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.627 -1.100 -4.817 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.337 -0.120 -4.135 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.456 -1.580 -4.245 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.892 0.367 -2.920 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.004 -1.099 -3.031 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.725 -0.126 -2.374 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.279 0.357 -1.165 1.00 0.00 O ATOM 0 H TYR A 69 -8.790 -2.169 -8.453 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.899 0.232 -7.203 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.206 -1.641 -6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.785 -2.660 -6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.251 0.268 -4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.889 -2.343 -4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.455 1.129 -2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.091 -1.483 -2.600 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.839 -0.363 -0.667 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.647 -1.970 -8.121 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.217 -2.191 -8.309 1.00 0.00 C ATOM 1091 C ILE A 70 -3.637 -1.243 -9.357 1.00 0.00 C ATOM 1092 O ILE A 70 -2.464 -0.877 -9.296 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.931 -3.647 -8.725 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.564 -4.620 -7.723 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.431 -3.889 -8.839 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.997 -4.512 -6.322 1.00 0.00 C ATOM 0 H ILE A 70 -6.240 -2.691 -8.531 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.737 -1.991 -7.351 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.377 -3.822 -9.704 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.638 -4.439 -7.685 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.425 -5.639 -8.083 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.251 -4.923 -9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.010 -3.219 -9.589 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.957 -3.698 -7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.495 -5.231 -5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.928 -4.723 -6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.160 -3.504 -5.940 1.00 0.00 H new ATOM 1108 N SER A 71 -4.461 -0.850 -10.320 1.00 0.00 N ATOM 1109 CA SER A 71 -4.017 0.047 -11.380 1.00 0.00 C ATOM 1110 C SER A 71 -4.163 1.511 -10.971 1.00 0.00 C ATOM 1111 O SER A 71 -3.419 2.369 -11.441 1.00 0.00 O ATOM 1112 CB SER A 71 -4.807 -0.216 -12.663 1.00 0.00 C ATOM 1113 OG SER A 71 -4.363 0.620 -13.718 1.00 0.00 O ATOM 0 H SER A 71 -5.437 -1.137 -10.389 1.00 0.00 H new ATOM 0 HA SER A 71 -2.960 -0.151 -11.560 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.698 -1.261 -12.953 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.868 -0.045 -12.482 1.00 0.00 H new ATOM 0 HG SER A 71 -4.883 0.431 -14.527 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.139 1.799 -10.117 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.368 3.169 -9.664 1.00 0.00 C ATOM 1121 C LEU A 72 -4.580 3.490 -8.391 1.00 0.00 C ATOM 1122 O LEU A 72 -3.703 4.355 -8.395 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.869 3.400 -9.432 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.316 4.865 -9.288 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -7.006 5.396 -7.898 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.667 5.741 -10.352 1.00 0.00 C ATOM 0 H LEU A 72 -5.781 1.109 -9.726 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.013 3.841 -10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.417 2.955 -10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.163 2.862 -8.531 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.396 4.898 -9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.332 6.433 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.531 4.796 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.932 5.340 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.000 6.771 -10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.583 5.695 -10.249 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.953 5.384 -11.341 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.894 2.779 -7.309 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.247 3.008 -6.018 1.00 0.00 C ATOM 1140 C VAL A 73 -2.813 2.483 -5.966 1.00 0.00 C ATOM 1141 O VAL A 73 -1.875 3.254 -5.762 1.00 0.00 O ATOM 1142 CB VAL A 73 -5.058 2.367 -4.875 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.436 2.695 -3.524 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.505 2.829 -4.931 1.00 0.00 C ATOM 0 H VAL A 73 -5.594 2.038 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.211 4.090 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.038 1.284 -5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.024 2.233 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.416 2.311 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.422 3.776 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.066 2.368 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.545 3.914 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.944 2.537 -5.885 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.647 1.174 -6.142 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.321 0.562 -6.091 1.00 0.00 C ATOM 1156 C GLU A 74 -0.351 1.278 -7.026 1.00 0.00 C ATOM 1157 O GLU A 74 0.792 1.546 -6.660 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.401 -0.925 -6.454 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.223 -1.747 -5.953 1.00 0.00 C ATOM 1160 CD GLU A 74 1.081 -1.396 -6.644 1.00 0.00 C ATOM 1161 OE1 GLU A 74 1.233 -1.739 -7.835 1.00 0.00 O ATOM 1162 OE2 GLU A 74 1.950 -0.778 -5.993 1.00 0.00 O ATOM 0 H GLU A 74 -3.409 0.520 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.948 0.657 -5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.322 -1.340 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.464 -1.021 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.111 -1.595 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.435 -2.805 -6.105 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.817 1.589 -8.230 1.00 0.00 N ATOM 1170 CA LYS A 75 0.013 2.273 -9.213 1.00 0.00 C ATOM 1171 C LYS A 75 0.359 3.682 -8.739 1.00 0.00 C ATOM 1172 O LYS A 75 1.470 4.163 -8.956 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.704 2.335 -10.561 1.00 0.00 C ATOM 1174 CG LYS A 75 0.224 2.593 -11.737 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.553 2.781 -13.030 1.00 0.00 C ATOM 1176 CE LYS A 75 0.379 2.920 -14.222 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.277 4.100 -14.091 1.00 0.00 N ATOM 0 H LYS A 75 -1.763 1.379 -8.548 1.00 0.00 H new ATOM 0 HA LYS A 75 0.939 1.710 -9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.231 1.395 -10.725 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.458 3.121 -10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.824 3.481 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.916 1.758 -11.845 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.218 1.931 -13.183 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.182 3.668 -12.953 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.980 2.016 -14.320 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.210 3.012 -15.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.787 4.249 -14.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.711 4.944 -13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.961 3.932 -13.326 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.601 4.338 -8.089 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.399 5.691 -7.578 1.00 0.00 C ATOM 1193 C TYR A 76 0.809 5.754 -6.645 1.00 0.00 C ATOM 1194 O TYR A 76 1.635 6.662 -6.746 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.655 6.169 -6.842 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.536 7.563 -6.265 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.527 8.681 -7.091 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.436 7.760 -4.894 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.421 9.955 -6.565 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.330 9.030 -4.361 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.323 10.124 -5.200 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.217 11.391 -4.673 1.00 0.00 O ATOM 0 H TYR A 76 -1.527 3.953 -7.904 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.207 6.348 -8.427 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.500 6.143 -7.531 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.879 5.471 -6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.604 8.552 -8.161 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.441 6.906 -4.233 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.415 10.814 -7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.253 9.165 -3.292 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.158 11.335 -3.696 1.00 0.00 H new ATOM 1212 N ILE A 77 0.906 4.784 -5.741 1.00 0.00 N ATOM 1213 CA ILE A 77 2.012 4.730 -4.789 1.00 0.00 C ATOM 1214 C ILE A 77 3.345 4.513 -5.504 1.00 0.00 C ATOM 1215 O ILE A 77 4.323 5.212 -5.240 1.00 0.00 O ATOM 1216 CB ILE A 77 1.811 3.605 -3.752 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.495 3.805 -2.995 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.986 3.560 -2.783 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.165 2.678 -2.037 1.00 0.00 C ATOM 0 H ILE A 77 0.232 4.024 -5.647 1.00 0.00 H new ATOM 0 HA ILE A 77 2.030 5.690 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 77 1.763 2.652 -4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.545 4.740 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.316 3.907 -3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.829 2.761 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.907 3.373 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.064 4.514 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.780 2.890 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.081 1.743 -2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.956 2.590 -1.293 1.00 0.00 H new ATOM 1231 N GLU A 78 3.371 3.539 -6.410 1.00 0.00 N ATOM 1232 CA GLU A 78 4.581 3.219 -7.160 1.00 0.00 C ATOM 1233 C GLU A 78 5.087 4.426 -7.948 1.00 0.00 C ATOM 1234 O GLU A 78 6.289 4.681 -8.002 1.00 0.00 O ATOM 1235 CB GLU A 78 4.317 2.051 -8.115 1.00 0.00 C ATOM 1236 CG GLU A 78 5.536 1.636 -8.924 1.00 0.00 C ATOM 1237 CD GLU A 78 5.242 0.491 -9.875 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.848 0.764 -11.029 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.404 -0.678 -9.465 1.00 0.00 O ATOM 0 H GLU A 78 2.566 2.957 -6.642 1.00 0.00 H new ATOM 0 HA GLU A 78 5.351 2.936 -6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.965 1.195 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.514 2.327 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.899 2.492 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.336 1.343 -8.244 1.00 0.00 H new ATOM 1246 N GLU A 79 4.163 5.163 -8.556 1.00 0.00 N ATOM 1247 CA GLU A 79 4.516 6.336 -9.353 1.00 0.00 C ATOM 1248 C GLU A 79 5.200 7.406 -8.507 1.00 0.00 C ATOM 1249 O GLU A 79 6.259 7.915 -8.875 1.00 0.00 O ATOM 1250 CB GLU A 79 3.268 6.921 -10.018 1.00 0.00 C ATOM 1251 CG GLU A 79 2.693 6.040 -11.116 1.00 0.00 C ATOM 1252 CD GLU A 79 3.677 5.800 -12.244 1.00 0.00 C ATOM 1253 OE1 GLU A 79 3.688 6.600 -13.204 1.00 0.00 O ATOM 1254 OE2 GLU A 79 4.437 4.811 -12.167 1.00 0.00 O ATOM 0 H GLU A 79 3.162 4.970 -8.513 1.00 0.00 H new ATOM 0 HA GLU A 79 5.219 6.012 -10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.504 7.084 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.514 7.896 -10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.394 5.083 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.793 6.506 -11.517 1.00 0.00 H new ATOM 1261 N GLN A 80 4.591 7.744 -7.374 1.00 0.00 N ATOM 1262 CA GLN A 80 5.138 8.765 -6.485 1.00 0.00 C ATOM 1263 C GLN A 80 6.549 8.409 -6.024 1.00 0.00 C ATOM 1264 O GLN A 80 7.384 9.291 -5.821 1.00 0.00 O ATOM 1265 CB GLN A 80 4.226 8.954 -5.271 1.00 0.00 C ATOM 1266 CG GLN A 80 2.854 9.509 -5.622 1.00 0.00 C ATOM 1267 CD GLN A 80 2.923 10.878 -6.271 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.077 11.230 -7.094 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.930 11.662 -5.900 1.00 0.00 N ATOM 0 H GLN A 80 3.719 7.326 -7.050 1.00 0.00 H new ATOM 0 HA GLN A 80 5.191 9.698 -7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.103 7.996 -4.766 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.711 9.627 -4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.349 8.817 -6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.250 9.571 -4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.609 11.330 -5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.024 12.595 -6.301 1.00 0.00 H new ATOM 1278 N LEU A 81 6.810 7.117 -5.860 1.00 0.00 N ATOM 1279 CA LEU A 81 8.124 6.655 -5.423 1.00 0.00 C ATOM 1280 C LEU A 81 9.132 6.681 -6.568 1.00 0.00 C ATOM 1281 O LEU A 81 10.299 7.016 -6.369 1.00 0.00 O ATOM 1282 CB LEU A 81 8.022 5.243 -4.842 1.00 0.00 C ATOM 1283 CG LEU A 81 7.245 5.141 -3.528 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.053 3.686 -3.133 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.962 5.904 -2.425 1.00 0.00 C ATOM 0 H LEU A 81 6.132 6.372 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 81 8.478 7.336 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.547 4.596 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.029 4.858 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 81 6.262 5.589 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.498 3.633 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.496 3.167 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.026 3.212 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.395 5.821 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.958 5.485 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.047 6.954 -2.705 1.00 0.00 H new ATOM 1297 N LEU A 82 8.677 6.331 -7.767 1.00 0.00 N ATOM 1298 CA LEU A 82 9.548 6.309 -8.939 1.00 0.00 C ATOM 1299 C LEU A 82 9.996 7.717 -9.326 1.00 0.00 C ATOM 1300 O LEU A 82 11.039 7.893 -9.954 1.00 0.00 O ATOM 1301 CB LEU A 82 8.838 5.643 -10.121 1.00 0.00 C ATOM 1302 CG LEU A 82 8.630 4.131 -9.991 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.794 3.608 -11.148 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.969 3.409 -9.935 1.00 0.00 C ATOM 0 H LEU A 82 7.712 6.059 -7.953 1.00 0.00 H new ATOM 0 HA LEU A 82 10.434 5.729 -8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.865 6.117 -10.254 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.413 5.838 -11.026 1.00 0.00 H new ATOM 0 HG LEU A 82 8.095 3.937 -9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.656 2.532 -11.040 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.822 4.101 -11.146 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.304 3.816 -12.089 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.800 2.336 -9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.530 3.611 -10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.537 3.762 -9.074 1.00 0.00 H new ATOM 1316 N GLN A 83 9.202 8.715 -8.948 1.00 0.00 N ATOM 1317 CA GLN A 83 9.524 10.105 -9.258 1.00 0.00 C ATOM 1318 C GLN A 83 10.845 10.521 -8.618 1.00 0.00 C ATOM 1319 O GLN A 83 11.534 11.409 -9.122 1.00 0.00 O ATOM 1320 CB GLN A 83 8.404 11.033 -8.782 1.00 0.00 C ATOM 1321 CG GLN A 83 7.134 10.934 -9.612 1.00 0.00 C ATOM 1322 CD GLN A 83 6.057 11.899 -9.149 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.249 12.372 -9.949 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.039 12.193 -7.854 1.00 0.00 N ATOM 0 H GLN A 83 8.334 8.588 -8.428 1.00 0.00 H new ATOM 0 HA GLN A 83 9.623 10.189 -10.340 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.168 10.800 -7.744 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.763 12.062 -8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.371 11.134 -10.657 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.750 9.915 -9.561 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.728 11.778 -7.227 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.336 12.834 -7.486 1.00 0.00 H new ATOM 1333 N ARG A 84 11.195 9.876 -7.509 1.00 0.00 N ATOM 1334 CA ARG A 84 12.433 10.190 -6.802 1.00 0.00 C ATOM 1335 C ARG A 84 13.448 9.060 -6.944 1.00 0.00 C ATOM 1336 O ARG A 84 14.657 9.289 -6.898 1.00 0.00 O ATOM 1337 CB ARG A 84 12.145 10.449 -5.322 1.00 0.00 C ATOM 1338 CG ARG A 84 11.173 11.593 -5.084 1.00 0.00 C ATOM 1339 CD ARG A 84 10.945 11.831 -3.600 1.00 0.00 C ATOM 1340 NE ARG A 84 9.971 12.893 -3.358 1.00 0.00 N ATOM 1341 CZ ARG A 84 9.612 13.303 -2.146 1.00 0.00 C ATOM 1342 NH1 ARG A 84 10.148 12.747 -1.068 1.00 0.00 N ATOM 1343 NH2 ARG A 84 8.716 14.271 -2.010 1.00 0.00 N ATOM 0 H ARG A 84 10.641 9.134 -7.081 1.00 0.00 H new ATOM 0 HA ARG A 84 12.857 11.090 -7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.741 9.541 -4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.082 10.667 -4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.560 12.502 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.222 11.371 -5.568 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.598 10.909 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.891 12.092 -3.125 1.00 0.00 H new ATOM 0 HE ARG A 84 9.542 13.345 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.838 12.002 -1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.870 13.064 -0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.301 14.702 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.441 14.585 -1.079 1.00 0.00 H new ATOM 1357 N ILE A 85 12.949 7.840 -7.119 1.00 0.00 N ATOM 1358 CA ILE A 85 13.809 6.672 -7.266 1.00 0.00 C ATOM 1359 C ILE A 85 13.460 5.892 -8.535 1.00 0.00 C ATOM 1360 O ILE A 85 12.551 5.062 -8.524 1.00 0.00 O ATOM 1361 CB ILE A 85 13.691 5.732 -6.049 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.881 6.517 -4.746 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.709 4.604 -6.148 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.564 5.715 -3.500 1.00 0.00 C ATOM 0 H ILE A 85 11.951 7.635 -7.162 1.00 0.00 H new ATOM 0 HA ILE A 85 14.834 7.037 -7.335 1.00 0.00 H new ATOM 0 HB ILE A 85 12.693 5.295 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.912 6.867 -4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.245 7.402 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.613 3.950 -5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.529 4.031 -7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.715 5.023 -6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.721 6.336 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.525 5.388 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.218 4.844 -3.452 1.00 0.00 H new ATOM 1376 N PRO A 86 14.171 6.152 -9.650 1.00 0.00 N ATOM 1377 CA PRO A 86 13.919 5.464 -10.922 1.00 0.00 C ATOM 1378 C PRO A 86 14.370 4.007 -10.903 1.00 0.00 C ATOM 1379 O PRO A 86 14.165 3.271 -11.868 1.00 0.00 O ATOM 1380 CB PRO A 86 14.747 6.263 -11.929 1.00 0.00 C ATOM 1381 CG PRO A 86 15.850 6.856 -11.124 1.00 0.00 C ATOM 1382 CD PRO A 86 15.268 7.134 -9.764 1.00 0.00 C ATOM 0 HA PRO A 86 12.855 5.426 -11.155 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.135 5.622 -12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.148 7.036 -12.410 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.694 6.170 -11.054 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.220 7.772 -11.585 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.009 7.001 -8.976 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.900 8.157 -9.686 1.00 0.00 H new ATOM 1390 N GLU A 87 14.984 3.597 -9.799 1.00 0.00 N ATOM 1391 CA GLU A 87 15.467 2.227 -9.655 1.00 0.00 C ATOM 1392 C GLU A 87 14.699 1.486 -8.564 1.00 0.00 C ATOM 1393 O GLU A 87 15.045 0.360 -8.205 1.00 0.00 O ATOM 1394 CB GLU A 87 16.964 2.222 -9.335 1.00 0.00 C ATOM 1395 CG GLU A 87 17.821 2.857 -10.419 1.00 0.00 C ATOM 1396 CD GLU A 87 19.300 2.827 -10.086 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.965 1.825 -10.427 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.793 3.805 -9.487 1.00 0.00 O ATOM 0 H GLU A 87 15.160 4.193 -8.990 1.00 0.00 H new ATOM 0 HA GLU A 87 15.302 1.711 -10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.128 2.752 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.291 1.194 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.654 2.335 -11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.507 3.890 -10.567 1.00 0.00 H new ATOM 1405 N PHE A 88 13.655 2.122 -8.042 1.00 0.00 N ATOM 1406 CA PHE A 88 12.842 1.524 -6.990 1.00 0.00 C ATOM 1407 C PHE A 88 12.125 0.276 -7.494 1.00 0.00 C ATOM 1408 O PHE A 88 11.670 0.228 -8.637 1.00 0.00 O ATOM 1409 CB PHE A 88 11.819 2.534 -6.467 1.00 0.00 C ATOM 1410 CG PHE A 88 11.095 2.071 -5.235 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.623 2.310 -3.976 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.888 1.396 -5.335 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.961 1.885 -2.841 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.223 0.969 -4.202 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.759 1.214 -2.953 1.00 0.00 C ATOM 0 H PHE A 88 13.352 3.052 -8.331 1.00 0.00 H new ATOM 0 HA PHE A 88 13.508 1.235 -6.177 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.327 3.473 -6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.090 2.740 -7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.562 2.834 -3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.463 1.202 -6.309 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.383 2.077 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.284 0.444 -4.293 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.240 0.882 -2.066 1.00 0.00 H new ATOM 1425 N ASN A 89 12.027 -0.729 -6.631 1.00 0.00 N ATOM 1426 CA ASN A 89 11.360 -1.976 -6.979 1.00 0.00 C ATOM 1427 C ASN A 89 10.237 -2.287 -5.993 1.00 0.00 C ATOM 1428 O ASN A 89 10.458 -2.914 -4.959 1.00 0.00 O ATOM 1429 CB ASN A 89 12.368 -3.131 -7.019 1.00 0.00 C ATOM 1430 CG ASN A 89 13.434 -3.029 -5.941 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.558 -3.496 -6.123 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.092 -2.418 -4.811 1.00 0.00 N ATOM 0 H ASN A 89 12.402 -0.703 -5.683 1.00 0.00 H new ATOM 0 HA ASN A 89 10.922 -1.860 -7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.835 -4.075 -6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.849 -3.152 -7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.772 -2.323 -4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.150 -2.044 -4.698 1.00 0.00 H new ATOM 1439 N MET A 90 9.028 -1.840 -6.322 1.00 0.00 N ATOM 1440 CA MET A 90 7.867 -2.060 -5.466 1.00 0.00 C ATOM 1441 C MET A 90 7.610 -3.551 -5.263 1.00 0.00 C ATOM 1442 O MET A 90 7.016 -3.957 -4.264 1.00 0.00 O ATOM 1443 CB MET A 90 6.628 -1.397 -6.073 1.00 0.00 C ATOM 1444 CG MET A 90 5.442 -1.331 -5.123 1.00 0.00 C ATOM 1445 SD MET A 90 5.775 -0.321 -3.668 1.00 0.00 S ATOM 1446 CE MET A 90 4.161 -0.299 -2.892 1.00 0.00 C ATOM 0 H MET A 90 8.827 -1.322 -7.177 1.00 0.00 H new ATOM 0 HA MET A 90 8.075 -1.611 -4.495 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.886 -0.386 -6.389 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.335 -1.946 -6.968 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.579 -0.926 -5.652 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.177 -2.340 -4.807 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.206 0.290 -1.976 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.436 0.145 -3.574 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.858 -1.319 -2.654 1.00 0.00 H new ATOM 1456 N ALA A 91 8.064 -4.361 -6.214 1.00 0.00 N ATOM 1457 CA ALA A 91 7.882 -5.806 -6.141 1.00 0.00 C ATOM 1458 C ALA A 91 8.756 -6.419 -5.051 1.00 0.00 C ATOM 1459 O ALA A 91 8.257 -7.084 -4.141 1.00 0.00 O ATOM 1460 CB ALA A 91 8.192 -6.445 -7.486 1.00 0.00 C ATOM 0 H ALA A 91 8.561 -4.041 -7.045 1.00 0.00 H new ATOM 0 HA ALA A 91 6.840 -6.001 -5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.052 -7.524 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.522 -6.040 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.224 -6.230 -7.762 1.00 0.00 H new ATOM 1466 N ALA A 92 10.061 -6.189 -5.148 1.00 0.00 N ATOM 1467 CA ALA A 92 11.008 -6.720 -4.175 1.00 0.00 C ATOM 1468 C ALA A 92 10.868 -6.025 -2.826 1.00 0.00 C ATOM 1469 O ALA A 92 11.201 -6.595 -1.787 1.00 0.00 O ATOM 1470 CB ALA A 92 12.430 -6.578 -4.697 1.00 0.00 C ATOM 0 H ALA A 92 10.488 -5.637 -5.892 1.00 0.00 H new ATOM 0 HA ALA A 92 10.784 -7.777 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.129 -6.978 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.531 -7.130 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.650 -5.525 -4.872 1.00 0.00 H new ATOM 1476 N PHE A 93 10.371 -4.791 -2.845 1.00 0.00 N ATOM 1477 CA PHE A 93 10.192 -4.020 -1.619 1.00 0.00 C ATOM 1478 C PHE A 93 9.119 -4.647 -0.737 1.00 0.00 C ATOM 1479 O PHE A 93 9.339 -4.881 0.451 1.00 0.00 O ATOM 1480 CB PHE A 93 9.822 -2.571 -1.944 1.00 0.00 C ATOM 1481 CG PHE A 93 9.765 -1.681 -0.734 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.929 -1.193 -0.161 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.549 -1.331 -0.168 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.882 -0.375 0.951 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.495 -0.513 0.945 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.663 -0.035 1.505 1.00 0.00 C ATOM 0 H PHE A 93 10.086 -4.304 -3.695 1.00 0.00 H new ATOM 0 HA PHE A 93 11.137 -4.028 -1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.550 -2.168 -2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.853 -2.555 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.885 -1.456 -0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.632 -1.702 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.797 -0.002 1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.541 -0.248 1.376 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.624 0.604 2.375 1.00 0.00 H new ATOM 1496 N THR A 94 7.957 -4.915 -1.325 1.00 0.00 N ATOM 1497 CA THR A 94 6.851 -5.517 -0.590 1.00 0.00 C ATOM 1498 C THR A 94 7.207 -6.922 -0.117 1.00 0.00 C ATOM 1499 O THR A 94 6.855 -7.322 0.994 1.00 0.00 O ATOM 1500 CB THR A 94 5.574 -5.585 -1.448 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.831 -6.315 -2.654 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.074 -4.191 -1.792 1.00 0.00 C ATOM 0 H THR A 94 7.758 -4.725 -2.307 1.00 0.00 H new ATOM 0 HA THR A 94 6.664 -4.880 0.275 1.00 0.00 H new ATOM 0 HB THR A 94 4.804 -6.096 -0.870 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.211 -5.712 -3.327 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.171 -4.268 -2.398 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.849 -3.648 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.842 -3.657 -2.351 1.00 0.00 H new ATOM 1510 N THR A 95 7.910 -7.667 -0.966 1.00 0.00 N ATOM 1511 CA THR A 95 8.316 -9.028 -0.634 1.00 0.00 C ATOM 1512 C THR A 95 9.180 -9.050 0.621 1.00 0.00 C ATOM 1513 O THR A 95 9.010 -9.904 1.487 1.00 0.00 O ATOM 1514 CB THR A 95 9.097 -9.682 -1.789 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.321 -9.639 -2.992 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.446 -11.126 -1.459 1.00 0.00 C ATOM 0 H THR A 95 8.210 -7.351 -1.888 1.00 0.00 H new ATOM 0 HA THR A 95 7.402 -9.595 -0.457 1.00 0.00 H new ATOM 0 HB THR A 95 10.022 -9.124 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.341 -8.732 -3.362 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.997 -11.566 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.061 -11.155 -0.560 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.530 -11.692 -1.291 1.00 0.00 H new ATOM 1524 N THR A 96 10.116 -8.112 0.705 1.00 0.00 N ATOM 1525 CA THR A 96 11.005 -8.014 1.856 1.00 0.00 C ATOM 1526 C THR A 96 10.291 -7.382 3.047 1.00 0.00 C ATOM 1527 O THR A 96 10.612 -7.665 4.203 1.00 0.00 O ATOM 1528 CB THR A 96 12.258 -7.182 1.521 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.945 -7.758 0.404 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.199 -7.110 2.715 1.00 0.00 C ATOM 0 H THR A 96 10.279 -7.406 -0.013 1.00 0.00 H new ATOM 0 HA THR A 96 11.308 -9.029 2.115 1.00 0.00 H new ATOM 0 HB THR A 96 11.936 -6.171 1.270 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.515 -7.471 -0.428 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.075 -6.517 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.685 -6.645 3.556 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.512 -8.116 2.993 1.00 0.00 H new ATOM 1538 N LEU A 97 9.323 -6.524 2.753 1.00 0.00 N ATOM 1539 CA LEU A 97 8.561 -5.828 3.785 1.00 0.00 C ATOM 1540 C LEU A 97 7.809 -6.804 4.688 1.00 0.00 C ATOM 1541 O LEU A 97 7.698 -6.580 5.893 1.00 0.00 O ATOM 1542 CB LEU A 97 7.575 -4.852 3.137 1.00 0.00 C ATOM 1543 CG LEU A 97 7.387 -3.524 3.876 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.528 -2.579 3.053 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.765 -3.754 5.245 1.00 0.00 C ATOM 0 H LEU A 97 9.044 -6.291 1.800 1.00 0.00 H new ATOM 0 HA LEU A 97 9.268 -5.277 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.913 -4.640 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.605 -5.343 3.054 1.00 0.00 H new ATOM 0 HG LEU A 97 8.367 -3.068 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.403 -1.639 3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.013 -2.387 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.551 -3.031 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.640 -2.798 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.793 -4.232 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.416 -4.397 5.837 1.00 0.00 H new ATOM 1557 N GLN A 98 7.293 -7.884 4.104 1.00 0.00 N ATOM 1558 CA GLN A 98 6.544 -8.878 4.870 1.00 0.00 C ATOM 1559 C GLN A 98 7.328 -9.336 6.097 1.00 0.00 C ATOM 1560 O GLN A 98 6.749 -9.591 7.153 1.00 0.00 O ATOM 1561 CB GLN A 98 6.187 -10.083 3.992 1.00 0.00 C ATOM 1562 CG GLN A 98 7.362 -11.007 3.707 1.00 0.00 C ATOM 1563 CD GLN A 98 7.026 -12.098 2.705 1.00 0.00 C ATOM 1564 OE1 GLN A 98 7.575 -13.198 2.763 1.00 0.00 O ATOM 1565 NE2 GLN A 98 6.122 -11.799 1.777 1.00 0.00 N ATOM 0 H GLN A 98 7.379 -8.092 3.109 1.00 0.00 H new ATOM 0 HA GLN A 98 5.622 -8.406 5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.398 -10.655 4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.782 -9.724 3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 98 8.198 -10.418 3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.692 -11.466 4.639 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.691 -10.875 1.764 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.860 -12.494 1.078 1.00 0.00 H new ATOM 1574 N HIS A 99 8.645 -9.438 5.953 1.00 0.00 N ATOM 1575 CA HIS A 99 9.500 -9.855 7.057 1.00 0.00 C ATOM 1576 C HIS A 99 9.783 -8.675 7.980 1.00 0.00 C ATOM 1577 O HIS A 99 9.748 -8.803 9.205 1.00 0.00 O ATOM 1578 CB HIS A 99 10.813 -10.435 6.527 1.00 0.00 C ATOM 1579 CG HIS A 99 10.628 -11.649 5.668 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.163 -12.853 6.156 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.844 -11.840 4.346 1.00 0.00 C ATOM 1582 CE1 HIS A 99 10.104 -13.732 5.171 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.512 -13.141 4.062 1.00 0.00 N ATOM 0 H HIS A 99 9.142 -9.238 5.085 1.00 0.00 H new ATOM 0 HA HIS A 99 8.981 -10.628 7.623 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.333 -9.669 5.952 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.454 -10.691 7.370 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.210 -11.105 3.644 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.778 -14.758 5.258 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.571 -13.581 3.143 1.00 0.00 H new ATOM 1592 N HIS A 100 10.041 -7.517 7.379 1.00 0.00 N ATOM 1593 CA HIS A 100 10.327 -6.310 8.143 1.00 0.00 C ATOM 1594 C HIS A 100 9.073 -5.809 8.847 1.00 0.00 C ATOM 1595 O HIS A 100 9.105 -4.801 9.551 1.00 0.00 O ATOM 1596 CB HIS A 100 10.894 -5.220 7.231 1.00 0.00 C ATOM 1597 CG HIS A 100 12.324 -5.446 6.849 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.343 -4.583 7.198 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.906 -6.444 6.142 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.488 -5.041 6.724 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.249 -6.170 6.080 1.00 0.00 N ATOM 0 H HIS A 100 10.058 -7.390 6.367 1.00 0.00 H new ATOM 0 HA HIS A 100 11.073 -6.555 8.899 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.289 -5.163 6.326 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.808 -4.256 7.733 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.406 -7.297 5.708 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.454 -4.573 6.843 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.950 -6.745 5.612 1.00 0.00 H new ATOM 1610 N LYS A 101 7.967 -6.520 8.646 1.00 0.00 N ATOM 1611 CA LYS A 101 6.704 -6.160 9.272 1.00 0.00 C ATOM 1612 C LYS A 101 6.815 -6.275 10.787 1.00 0.00 C ATOM 1613 O LYS A 101 6.028 -5.685 11.527 1.00 0.00 O ATOM 1614 CB LYS A 101 5.580 -7.065 8.755 1.00 0.00 C ATOM 1615 CG LYS A 101 4.208 -6.729 9.321 1.00 0.00 C ATOM 1616 CD LYS A 101 3.138 -7.676 8.797 1.00 0.00 C ATOM 1617 CE LYS A 101 3.343 -9.093 9.311 1.00 0.00 C ATOM 1618 NZ LYS A 101 3.251 -9.166 10.794 1.00 0.00 N ATOM 0 H LYS A 101 7.923 -7.349 8.054 1.00 0.00 H new ATOM 0 HA LYS A 101 6.469 -5.127 9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.541 -6.994 7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.819 -8.100 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.240 -6.782 10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.947 -5.704 9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.154 -7.317 9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.155 -7.678 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.595 -9.751 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.319 -9.458 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.124 -10.156 11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.125 -8.790 11.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.440 -8.603 11.120 1.00 0.00 H new ATOM 1632 N ASP A 102 7.805 -7.040 11.242 1.00 0.00 N ATOM 1633 CA ASP A 102 8.028 -7.231 12.671 1.00 0.00 C ATOM 1634 C ASP A 102 8.729 -6.020 13.277 1.00 0.00 C ATOM 1635 O ASP A 102 8.685 -5.807 14.489 1.00 0.00 O ATOM 1636 CB ASP A 102 8.861 -8.492 12.913 1.00 0.00 C ATOM 1637 CG ASP A 102 9.175 -8.702 14.381 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.358 -9.337 15.079 1.00 0.00 O ATOM 1639 OD2 ASP A 102 10.239 -8.229 14.834 1.00 0.00 O ATOM 0 H ASP A 102 8.464 -7.536 10.642 1.00 0.00 H new ATOM 0 HA ASP A 102 7.058 -7.346 13.154 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.322 -9.359 12.531 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.792 -8.423 12.351 1.00 0.00 H new ATOM 1644 N GLU A 103 9.374 -5.229 12.426 1.00 0.00 N ATOM 1645 CA GLU A 103 10.089 -4.040 12.877 1.00 0.00 C ATOM 1646 C GLU A 103 9.271 -2.777 12.620 1.00 0.00 C ATOM 1647 O GLU A 103 8.918 -2.055 13.554 1.00 0.00 O ATOM 1648 CB GLU A 103 11.440 -3.935 12.168 1.00 0.00 C ATOM 1649 CG GLU A 103 12.304 -2.786 12.664 1.00 0.00 C ATOM 1650 CD GLU A 103 13.589 -2.644 11.872 1.00 0.00 C ATOM 1651 OE1 GLU A 103 14.583 -3.313 12.227 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.602 -1.864 10.897 1.00 0.00 O ATOM 0 H GLU A 103 9.416 -5.390 11.420 1.00 0.00 H new ATOM 0 HA GLU A 103 10.252 -4.132 13.951 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.984 -4.870 12.301 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.270 -3.815 11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.738 -1.857 12.602 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.544 -2.943 13.715 1.00 0.00 H new ATOM 1659 N VAL A 104 8.975 -2.515 11.349 1.00 0.00 N ATOM 1660 CA VAL A 104 8.206 -1.336 10.968 1.00 0.00 C ATOM 1661 C VAL A 104 6.823 -1.351 11.616 1.00 0.00 C ATOM 1662 O VAL A 104 6.324 -2.406 12.008 1.00 0.00 O ATOM 1663 CB VAL A 104 8.054 -1.235 9.434 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.081 -2.284 8.912 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.609 0.162 9.029 1.00 0.00 C ATOM 0 H VAL A 104 9.257 -3.105 10.566 1.00 0.00 H new ATOM 0 HA VAL A 104 8.757 -0.465 11.324 1.00 0.00 H new ATOM 0 HB VAL A 104 9.028 -1.427 8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.992 -2.191 7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.450 -3.279 9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.104 -2.134 9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.508 0.212 7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.649 0.387 9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.351 0.890 9.358 1.00 0.00 H new ATOM 1675 N ALA A 105 6.211 -0.175 11.724 1.00 0.00 N ATOM 1676 CA ALA A 105 4.888 -0.053 12.326 1.00 0.00 C ATOM 1677 C ALA A 105 3.870 -0.923 11.597 1.00 0.00 C ATOM 1678 O ALA A 105 3.465 -0.616 10.475 1.00 0.00 O ATOM 1679 CB ALA A 105 4.441 1.402 12.319 1.00 0.00 C ATOM 0 H ALA A 105 6.611 0.707 11.402 1.00 0.00 H new ATOM 0 HA ALA A 105 4.951 -0.400 13.357 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.452 1.481 12.771 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.149 2.003 12.889 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.401 1.765 11.292 1.00 0.00 H new ATOM 1685 N GLY A 106 3.459 -2.011 12.241 1.00 0.00 N ATOM 1686 CA GLY A 106 2.492 -2.907 11.639 1.00 0.00 C ATOM 1687 C GLY A 106 1.156 -2.236 11.393 1.00 0.00 C ATOM 1688 O GLY A 106 0.445 -2.580 10.448 1.00 0.00 O ATOM 0 H GLY A 106 3.779 -2.287 13.169 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.887 -3.281 10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.348 -3.770 12.288 1.00 0.00 H new ATOM 1692 N ASP A 107 0.817 -1.274 12.246 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.443 -0.552 12.125 1.00 0.00 C ATOM 1694 C ASP A 107 -0.504 0.243 10.823 1.00 0.00 C ATOM 1695 O ASP A 107 -1.564 0.357 10.206 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.632 0.386 13.317 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.647 -0.359 14.638 1.00 0.00 C ATOM 1698 OD1 ASP A 107 0.446 -0.621 15.185 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -1.751 -0.684 15.125 1.00 0.00 O ATOM 0 H ASP A 107 1.399 -0.977 13.029 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.249 -1.286 12.113 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.171 1.123 13.327 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.567 0.934 13.201 1.00 0.00 H new ATOM 1704 N ILE A 108 0.634 0.792 10.405 1.00 0.00 N ATOM 1705 CA ILE A 108 0.691 1.574 9.175 1.00 0.00 C ATOM 1706 C ILE A 108 0.601 0.673 7.946 1.00 0.00 C ATOM 1707 O ILE A 108 -0.199 0.920 7.044 1.00 0.00 O ATOM 1708 CB ILE A 108 1.984 2.411 9.094 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.033 3.424 10.243 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.074 3.121 7.749 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.331 4.202 10.315 1.00 0.00 C ATOM 0 H ILE A 108 1.524 0.710 10.897 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.165 2.249 9.192 1.00 0.00 H new ATOM 0 HB ILE A 108 2.840 1.742 9.186 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.205 4.125 10.133 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.882 2.898 11.186 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.992 3.707 7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.079 2.382 6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.216 3.782 7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.292 4.899 11.152 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.162 3.511 10.457 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.475 4.757 9.388 1.00 0.00 H new ATOM 1723 N PHE A 109 1.418 -0.377 7.921 1.00 0.00 N ATOM 1724 CA PHE A 109 1.422 -1.308 6.799 1.00 0.00 C ATOM 1725 C PHE A 109 0.089 -2.035 6.692 1.00 0.00 C ATOM 1726 O PHE A 109 -0.319 -2.438 5.604 1.00 0.00 O ATOM 1727 CB PHE A 109 2.564 -2.321 6.928 1.00 0.00 C ATOM 1728 CG PHE A 109 2.724 -3.200 5.715 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.729 -2.652 4.440 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.864 -4.571 5.849 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.870 -3.455 3.323 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.007 -5.379 4.736 1.00 0.00 C ATOM 1733 CZ PHE A 109 3.009 -4.821 3.472 1.00 0.00 C ATOM 0 H PHE A 109 2.082 -0.603 8.662 1.00 0.00 H new ATOM 0 HA PHE A 109 1.576 -0.727 5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.497 -1.785 7.105 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.386 -2.948 7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.621 -1.584 4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.861 -5.014 6.834 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.871 -3.015 2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.117 -6.447 4.855 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.119 -5.452 2.602 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.583 -2.205 7.830 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.871 -2.890 7.865 1.00 0.00 C ATOM 1745 C ASP A 110 -2.809 -2.340 6.795 1.00 0.00 C ATOM 1746 O ASP A 110 -3.622 -3.075 6.234 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.511 -2.745 9.247 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.806 -3.525 9.368 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.863 -2.982 8.984 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -3.762 -4.678 9.847 1.00 0.00 O ATOM 0 H ASP A 110 -0.256 -1.877 8.739 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.699 -3.947 7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.810 -3.089 10.007 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.705 -1.691 9.446 1.00 0.00 H new ATOM 1755 N MET A 111 -2.692 -1.045 6.518 1.00 0.00 N ATOM 1756 CA MET A 111 -3.515 -0.406 5.498 1.00 0.00 C ATOM 1757 C MET A 111 -3.053 -0.838 4.111 1.00 0.00 C ATOM 1758 O MET A 111 -3.859 -1.198 3.253 1.00 0.00 O ATOM 1759 CB MET A 111 -3.430 1.118 5.625 1.00 0.00 C ATOM 1760 CG MET A 111 -4.219 1.867 4.563 1.00 0.00 C ATOM 1761 SD MET A 111 -3.760 3.607 4.457 1.00 0.00 S ATOM 1762 CE MET A 111 -2.071 3.477 3.874 1.00 0.00 C ATOM 0 H MET A 111 -2.036 -0.419 6.985 1.00 0.00 H new ATOM 0 HA MET A 111 -4.551 -0.713 5.641 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.794 1.412 6.610 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.384 1.420 5.568 1.00 0.00 H new ATOM 0 HG2 MET A 111 -4.058 1.393 3.595 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.284 1.789 4.784 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.808 4.376 3.317 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.399 3.368 4.726 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.976 2.607 3.224 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.741 -0.802 3.912 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.131 -1.181 2.645 1.00 0.00 C ATOM 1774 C LEU A 112 -1.353 -2.660 2.342 1.00 0.00 C ATOM 1775 O LEU A 112 -1.298 -3.079 1.188 1.00 0.00 O ATOM 1776 CB LEU A 112 0.363 -0.866 2.671 1.00 0.00 C ATOM 1777 CG LEU A 112 0.707 0.623 2.722 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.166 0.819 3.100 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.408 1.282 1.384 1.00 0.00 C ATOM 0 H LEU A 112 -1.071 -0.510 4.624 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.607 -0.603 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.808 -1.356 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.826 -1.301 1.785 1.00 0.00 H new ATOM 0 HG LEU A 112 0.089 1.096 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.394 1.884 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.350 0.379 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.802 0.334 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.658 2.342 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.002 0.807 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.651 1.170 1.152 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.606 -3.446 3.386 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.832 -4.880 3.233 1.00 0.00 C ATOM 1793 C LEU A 113 -2.867 -5.161 2.150 1.00 0.00 C ATOM 1794 O LEU A 113 -2.861 -6.227 1.536 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.287 -5.501 4.558 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.173 -5.760 5.575 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -1.746 -6.362 6.849 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.112 -6.679 4.988 1.00 0.00 C ATOM 0 H LEU A 113 -1.660 -3.113 4.348 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.886 -5.332 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.027 -4.843 5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.789 -6.445 4.345 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.705 -4.806 5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.941 -6.540 7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.469 -5.672 7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.239 -7.306 6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.671 -6.850 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.567 -7.631 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.321 -6.215 4.102 1.00 0.00 H new ATOM 1810 N THR A 114 -3.760 -4.200 1.927 1.00 0.00 N ATOM 1811 CA THR A 114 -4.805 -4.336 0.916 1.00 0.00 C ATOM 1812 C THR A 114 -4.233 -4.642 -0.473 1.00 0.00 C ATOM 1813 O THR A 114 -4.987 -4.833 -1.428 1.00 0.00 O ATOM 1814 CB THR A 114 -5.665 -3.061 0.833 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.843 -1.933 0.509 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.381 -2.809 2.152 1.00 0.00 C ATOM 0 H THR A 114 -3.781 -3.316 2.435 1.00 0.00 H new ATOM 0 HA THR A 114 -5.424 -5.177 1.228 1.00 0.00 H new ATOM 0 HB THR A 114 -6.411 -3.202 0.050 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.430 -1.583 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.983 -1.904 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.028 -3.656 2.383 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.646 -2.687 2.947 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.904 -4.688 -0.586 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.257 -4.983 -1.863 1.00 0.00 C ATOM 1826 C PHE A 115 -2.589 -6.399 -2.323 1.00 0.00 C ATOM 1827 O PHE A 115 -2.549 -6.698 -3.517 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.735 -4.827 -1.752 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.255 -3.400 -1.678 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.857 -2.403 -2.434 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.810 -3.059 -0.856 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.406 -1.098 -2.368 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.262 -1.756 -0.787 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.654 -0.774 -1.544 1.00 0.00 C ATOM 0 H PHE A 115 -2.259 -4.526 0.187 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.635 -4.271 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.392 -5.359 -0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.270 -5.309 -2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.686 -2.650 -3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.291 -3.822 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.883 -0.331 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.091 -1.505 -0.141 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.007 0.245 -1.492 1.00 0.00 H new ATOM 1844 N THR A 116 -2.914 -7.270 -1.370 1.00 0.00 N ATOM 1845 CA THR A 116 -3.249 -8.654 -1.684 1.00 0.00 C ATOM 1846 C THR A 116 -4.119 -9.283 -0.598 1.00 0.00 C ATOM 1847 O THR A 116 -4.846 -10.242 -0.853 1.00 0.00 O ATOM 1848 CB THR A 116 -1.980 -9.508 -1.867 1.00 0.00 C ATOM 1849 OG1 THR A 116 -2.336 -10.883 -2.056 1.00 0.00 O ATOM 1850 CG2 THR A 116 -1.059 -9.377 -0.663 1.00 0.00 C ATOM 0 H THR A 116 -2.952 -7.041 -0.377 1.00 0.00 H new ATOM 0 HA THR A 116 -3.809 -8.634 -2.619 1.00 0.00 H new ATOM 0 HB THR A 116 -1.451 -9.146 -2.749 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.523 -11.418 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.170 -9.989 -0.816 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.765 -8.334 -0.542 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.581 -9.713 0.233 1.00 0.00 H new ATOM 1858 N ASP A 117 -4.040 -8.737 0.612 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.821 -9.249 1.734 1.00 0.00 C ATOM 1860 C ASP A 117 -6.305 -8.931 1.562 1.00 0.00 C ATOM 1861 O ASP A 117 -6.809 -7.948 2.109 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.309 -8.662 3.049 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.881 -9.077 3.351 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -2.692 -10.128 4.000 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -1.952 -8.352 2.938 1.00 0.00 O ATOM 0 H ASP A 117 -3.444 -7.941 0.841 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.704 -10.332 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.367 -7.574 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.958 -8.983 3.864 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.998 -9.773 0.800 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.424 -9.587 0.546 1.00 0.00 C ATOM 1872 C PHE A 118 -9.213 -9.526 1.849 1.00 0.00 C ATOM 1873 O PHE A 118 -10.301 -8.952 1.899 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.956 -10.723 -0.333 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.382 -10.531 -0.773 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.677 -9.764 -1.888 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.424 -11.119 -0.073 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.986 -9.585 -2.297 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.734 -10.943 -0.477 1.00 0.00 C ATOM 1880 CZ PHE A 118 -13.015 -10.176 -1.590 1.00 0.00 C ATOM 0 H PHE A 118 -6.594 -10.593 0.347 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.552 -8.638 0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.322 -10.815 -1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.878 -11.662 0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.876 -9.300 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.210 -11.721 0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.203 -8.984 -3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.537 -11.405 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 118 -14.038 -10.038 -1.907 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.660 -10.118 2.902 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.318 -10.131 4.204 1.00 0.00 C ATOM 1892 C LEU A 119 -9.406 -8.724 4.786 1.00 0.00 C ATOM 1893 O LEU A 119 -10.453 -8.316 5.289 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.570 -11.052 5.170 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.456 -12.512 4.720 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -7.633 -13.312 5.715 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -9.837 -13.131 4.554 1.00 0.00 C ATOM 0 H LEU A 119 -7.759 -10.595 2.880 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.331 -10.509 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.566 -10.655 5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.073 -11.024 6.137 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.950 -12.535 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.562 -14.347 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.633 -12.885 5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.113 -13.280 6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.735 -14.168 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -10.368 -13.095 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.398 -12.573 3.804 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.303 -7.986 4.717 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.260 -6.625 5.242 1.00 0.00 C ATOM 1911 C ALA A 120 -8.970 -5.654 4.307 1.00 0.00 C ATOM 1912 O ALA A 120 -9.473 -4.616 4.738 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.820 -6.192 5.467 1.00 0.00 C ATOM 0 H ALA A 120 -7.428 -8.307 4.303 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.783 -6.613 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.803 -5.175 5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.345 -6.864 6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.278 -6.226 4.522 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.006 -5.999 3.025 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.650 -5.162 2.018 1.00 0.00 C ATOM 1921 C PHE A 121 -11.158 -5.093 2.253 1.00 0.00 C ATOM 1922 O PHE A 121 -11.731 -4.007 2.395 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.357 -5.730 0.624 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.602 -4.769 -0.506 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.074 -3.487 -0.478 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.347 -5.157 -1.608 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.287 -2.612 -1.526 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.566 -4.285 -2.658 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.034 -3.012 -2.617 1.00 0.00 C ATOM 0 H PHE A 121 -8.595 -6.857 2.657 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.251 -4.150 2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.317 -6.054 0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.973 -6.616 0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.490 -3.169 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.762 -6.153 -1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.870 -1.616 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.152 -4.599 -3.509 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.202 -2.329 -3.437 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.792 -6.260 2.314 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.232 -6.342 2.532 1.00 0.00 C ATOM 1941 C LYS A 122 -13.601 -5.860 3.932 1.00 0.00 C ATOM 1942 O LYS A 122 -14.570 -5.123 4.107 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.719 -7.779 2.320 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.171 -8.010 2.717 1.00 0.00 C ATOM 1945 CD LYS A 122 -16.112 -7.044 2.015 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.566 -7.373 2.306 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.929 -8.746 1.856 1.00 0.00 N ATOM 0 H LYS A 122 -11.330 -7.164 2.215 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.723 -5.692 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.595 -8.042 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.085 -8.454 2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.455 -9.034 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.274 -7.898 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.897 -6.025 2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.938 -7.081 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.751 -7.282 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -18.209 -6.647 1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.886 -8.736 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.250 -9.066 1.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.904 -9.395 2.668 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.821 -6.278 4.923 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.070 -5.888 6.307 1.00 0.00 C ATOM 1963 C GLU A 123 -13.002 -4.371 6.462 1.00 0.00 C ATOM 1964 O GLU A 123 -13.730 -3.788 7.266 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.055 -6.555 7.237 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.280 -6.247 8.709 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.643 -6.695 9.197 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -13.764 -7.858 9.635 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -14.591 -5.883 9.140 1.00 0.00 O ATOM 0 H GLU A 123 -12.012 -6.886 4.795 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.072 -6.219 6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.096 -7.634 7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.052 -6.233 6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.507 -6.737 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.174 -5.174 8.872 1.00 0.00 H new ATOM 1976 N MET A 124 -12.126 -3.739 5.687 1.00 0.00 N ATOM 1977 CA MET A 124 -11.967 -2.290 5.740 1.00 0.00 C ATOM 1978 C MET A 124 -13.235 -1.591 5.267 1.00 0.00 C ATOM 1979 O MET A 124 -13.721 -0.663 5.916 1.00 0.00 O ATOM 1980 CB MET A 124 -10.778 -1.849 4.883 1.00 0.00 C ATOM 1981 CG MET A 124 -10.493 -0.357 4.959 1.00 0.00 C ATOM 1982 SD MET A 124 -9.157 0.150 3.861 1.00 0.00 S ATOM 1983 CE MET A 124 -9.891 -0.179 2.260 1.00 0.00 C ATOM 0 H MET A 124 -11.516 -4.207 5.016 1.00 0.00 H new ATOM 0 HA MET A 124 -11.779 -2.009 6.776 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.890 -2.397 5.199 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.968 -2.122 3.845 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.397 0.195 4.704 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.236 -0.092 5.985 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.388 0.418 1.499 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.783 -1.237 2.021 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.949 0.081 2.285 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.768 -2.036 4.131 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.984 -1.445 3.578 1.00 0.00 C ATOM 1995 C PHE A 125 -16.150 -1.565 4.555 1.00 0.00 C ATOM 1996 O PHE A 125 -16.959 -0.646 4.683 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.350 -2.105 2.248 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.345 -1.858 1.159 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.946 -0.568 0.845 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.800 -2.916 0.451 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.022 -0.338 -0.156 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.877 -2.692 -0.551 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.487 -1.402 -0.855 1.00 0.00 C ATOM 0 H PHE A 125 -13.379 -2.800 3.578 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.786 -0.387 3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.452 -3.179 2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.323 -1.736 1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.362 0.267 1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.100 -3.927 0.685 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.719 0.672 -0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.460 -3.525 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.765 -1.226 -1.638 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.232 -2.701 5.243 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.305 -2.932 6.205 1.00 0.00 C ATOM 2015 C LEU A 126 -17.225 -1.938 7.358 1.00 0.00 C ATOM 2016 O LEU A 126 -18.244 -1.421 7.816 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.248 -4.366 6.740 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.398 -5.465 5.685 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.435 -6.835 6.347 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.650 -5.243 4.848 1.00 0.00 C ATOM 0 H LEU A 126 -15.571 -3.473 5.153 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.255 -2.787 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.297 -4.507 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -18.035 -4.490 7.484 1.00 0.00 H new ATOM 0 HG LEU A 126 -16.534 -5.423 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -17.542 -7.605 5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -16.509 -6.997 6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -18.280 -6.885 7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.736 -6.036 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -19.527 -5.255 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.584 -4.279 4.344 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.007 -1.676 7.825 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.796 -0.739 8.923 1.00 0.00 C ATOM 2034 C ASP A 127 -16.263 0.660 8.534 1.00 0.00 C ATOM 2035 O ASP A 127 -16.946 1.336 9.304 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.319 -0.703 9.317 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.049 0.256 10.459 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.324 -0.112 11.621 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.565 1.376 10.193 1.00 0.00 O ATOM 0 H ASP A 127 -15.153 -2.099 7.461 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.382 -1.079 9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.998 -1.704 9.603 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.722 -0.412 8.453 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.888 1.086 7.330 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.267 2.402 6.829 1.00 0.00 C ATOM 2046 C TYR A 128 -17.784 2.547 6.770 1.00 0.00 C ATOM 2047 O TYR A 128 -18.329 3.611 7.063 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.667 2.633 5.439 1.00 0.00 C ATOM 2049 CG TYR A 128 -16.044 3.963 4.826 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -15.382 5.130 5.187 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -17.063 4.052 3.885 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.725 6.347 4.629 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -17.411 5.265 3.322 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.739 6.409 3.698 1.00 0.00 C ATOM 2055 OH TYR A 128 -17.084 7.619 3.139 1.00 0.00 O ATOM 0 H TYR A 128 -15.321 0.537 6.684 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.875 3.151 7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.581 2.569 5.507 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.992 1.832 4.775 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.586 5.085 5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.592 3.158 3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -15.201 7.245 4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -18.205 5.317 2.592 1.00 0.00 H new ATOM 0 HH TYR A 128 -17.026 7.557 2.163 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.461 1.467 6.391 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.916 1.473 6.292 1.00 0.00 C ATOM 2067 C ARG A 129 -20.557 1.572 7.673 1.00 0.00 C ATOM 2068 O ARG A 129 -21.602 2.200 7.838 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.403 0.211 5.578 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.909 0.172 5.373 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.342 -1.098 4.658 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.784 -1.132 4.431 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.379 -1.967 3.584 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.658 -2.831 2.882 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.697 -1.939 3.439 1.00 0.00 N ATOM 0 H ARG A 129 -18.025 0.577 6.148 1.00 0.00 H new ATOM 0 HA ARG A 129 -20.213 2.347 5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.910 0.139 4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.100 -0.663 6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.410 0.236 6.339 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.221 1.041 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.823 -1.171 3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -22.047 -1.965 5.249 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.368 -0.478 4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.644 -2.856 2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.117 -3.470 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.255 -1.277 3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.152 -2.580 2.789 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.924 0.951 8.664 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.439 0.970 10.029 1.00 0.00 C ATOM 2091 C ALA A 130 -20.385 2.377 10.615 1.00 0.00 C ATOM 2092 O ALA A 130 -21.234 2.757 11.421 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.662 -0.001 10.904 1.00 0.00 C ATOM 0 H ALA A 130 -19.055 0.429 8.548 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.482 0.656 10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.059 0.026 11.919 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.759 -1.010 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.610 0.284 10.918 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.381 3.146 10.205 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.221 4.514 10.686 1.00 0.00 C ATOM 2101 C GLU A 131 -20.366 5.397 10.197 1.00 0.00 C ATOM 2102 O GLU A 131 -20.669 6.425 10.800 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.883 5.090 10.220 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.675 4.358 10.783 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.362 4.978 10.345 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.840 4.574 9.285 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -14.856 5.865 11.063 1.00 0.00 O ATOM 0 H GLU A 131 -18.667 2.846 9.542 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.238 4.494 11.776 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.842 5.057 9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.828 6.140 10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.728 4.360 11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.705 3.316 10.464 1.00 0.00 H new