USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=20 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 45 MET CE :methyl 180:sc= -1.17 (180deg=-1.17) USER MOD Set 1.2: A 124 MET CE :methyl 161:sc= -0.112 (180deg=-0.649) USER MOD Set 2.1: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 80 GLN : amide:sc= -0.659 K(o=-1.6,f=-4.5!) USER MOD Set 2.3: A 83 GLN : amide:sc= -0.903 K(o=-1.6,f=-0.65) USER MOD Set 3.1: A 69 TYR OH : rot 152:sc= 0.0236 USER MOD Set 3.2: A 114 THR OG1 : rot -83:sc= 0.512 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= -0.0133 K(o=-0.013,f=-0.72) USER MOD Single : A 41 GLN : amide:sc= 0.0705 K(o=0.071,f=-0.8) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= 0.149 (180deg=-0.145) USER MOD Single : A 48 TYR OH : rot 130:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.124 X(o=-0.12,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=-0.6) USER MOD Single : A 71 SER OG : rot 87:sc= 0.639 USER MOD Single : A 75 LYS NZ :NH3+ 143:sc= -1.46 (180deg=-3.71!) USER MOD Single : A 89 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.8!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -10:sc= 0.361 USER MOD Single : A 95 THR OG1 : rot -5:sc= -0.0722 USER MOD Single : A 96 THR OG1 : rot 84:sc= 0.755 USER MOD Single : A 98 GLN : amide:sc= 0.0872 X(o=0.087,f=-0.4) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 100 HIS : no HD1:sc= -0.0415 K(o=-0.042,f=-3.5!) USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -0.0213 (180deg=-0.244) USER MOD Single : A 111 MET CE :methyl 165:sc= 0 (180deg=-0.309) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.933 2.138 6.372 1.00 0.00 N ATOM 243 CA ALA A 19 19.218 3.409 6.407 1.00 0.00 C ATOM 244 C ALA A 19 18.369 3.612 5.155 1.00 0.00 C ATOM 245 O ALA A 19 17.395 4.365 5.173 1.00 0.00 O ATOM 246 CB ALA A 19 20.200 4.558 6.572 1.00 0.00 C ATOM 0 HA ALA A 19 18.544 3.389 7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.655 5.502 6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.753 4.433 7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.897 4.564 5.734 1.00 0.00 H new ATOM 252 N GLU A 20 18.744 2.940 4.068 1.00 0.00 N ATOM 253 CA GLU A 20 18.015 3.058 2.807 1.00 0.00 C ATOM 254 C GLU A 20 16.543 2.705 2.991 1.00 0.00 C ATOM 255 O GLU A 20 15.660 3.455 2.574 1.00 0.00 O ATOM 256 CB GLU A 20 18.638 2.153 1.743 1.00 0.00 C ATOM 257 CG GLU A 20 17.971 2.265 0.381 1.00 0.00 C ATOM 258 CD GLU A 20 18.555 1.305 -0.635 1.00 0.00 C ATOM 259 OE1 GLU A 20 19.588 1.647 -1.249 1.00 0.00 O ATOM 260 OE2 GLU A 20 17.981 0.212 -0.817 1.00 0.00 O ATOM 0 H GLU A 20 19.546 2.310 4.035 1.00 0.00 H new ATOM 0 HA GLU A 20 18.083 4.095 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.695 2.400 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.583 1.118 2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.904 2.071 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.075 3.286 0.013 1.00 0.00 H new ATOM 267 N PHE A 21 16.284 1.558 3.614 1.00 0.00 N ATOM 268 CA PHE A 21 14.914 1.116 3.855 1.00 0.00 C ATOM 269 C PHE A 21 14.147 2.173 4.641 1.00 0.00 C ATOM 270 O PHE A 21 12.968 2.420 4.385 1.00 0.00 O ATOM 271 CB PHE A 21 14.909 -0.209 4.620 1.00 0.00 C ATOM 272 CG PHE A 21 13.583 -0.917 4.600 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.608 -0.626 5.541 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.312 -1.878 3.638 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.390 -1.278 5.523 1.00 0.00 C ATOM 276 CE2 PHE A 21 12.095 -2.534 3.617 1.00 0.00 C ATOM 277 CZ PHE A 21 11.134 -2.233 4.561 1.00 0.00 C ATOM 0 H PHE A 21 17.001 0.921 3.960 1.00 0.00 H new ATOM 0 HA PHE A 21 14.425 0.969 2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.667 -0.866 4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.194 -0.021 5.655 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.803 0.120 6.298 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.060 -2.117 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.639 -1.040 6.262 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.897 -3.281 2.863 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.183 -2.744 4.546 1.00 0.00 H new ATOM 287 N ASP A 22 14.829 2.796 5.597 1.00 0.00 N ATOM 288 CA ASP A 22 14.221 3.831 6.426 1.00 0.00 C ATOM 289 C ASP A 22 13.817 5.036 5.584 1.00 0.00 C ATOM 290 O ASP A 22 12.779 5.652 5.825 1.00 0.00 O ATOM 291 CB ASP A 22 15.191 4.266 7.527 1.00 0.00 C ATOM 292 CG ASP A 22 14.632 5.388 8.378 1.00 0.00 C ATOM 293 OD1 ASP A 22 13.850 5.095 9.308 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.974 6.560 8.116 1.00 0.00 O ATOM 0 H ASP A 22 15.806 2.601 5.817 1.00 0.00 H new ATOM 0 HA ASP A 22 13.324 3.414 6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.422 3.411 8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.129 4.589 7.075 1.00 0.00 H new ATOM 299 N ALA A 23 14.644 5.366 4.596 1.00 0.00 N ATOM 300 CA ALA A 23 14.375 6.497 3.718 1.00 0.00 C ATOM 301 C ALA A 23 13.063 6.302 2.966 1.00 0.00 C ATOM 302 O ALA A 23 12.241 7.217 2.882 1.00 0.00 O ATOM 303 CB ALA A 23 15.525 6.691 2.741 1.00 0.00 C ATOM 0 H ALA A 23 15.507 4.865 4.384 1.00 0.00 H new ATOM 0 HA ALA A 23 14.283 7.393 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.311 7.539 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.445 6.881 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.645 5.792 2.137 1.00 0.00 H new ATOM 309 N VAL A 24 12.871 5.104 2.422 1.00 0.00 N ATOM 310 CA VAL A 24 11.656 4.788 1.680 1.00 0.00 C ATOM 311 C VAL A 24 10.426 4.930 2.570 1.00 0.00 C ATOM 312 O VAL A 24 9.393 5.440 2.139 1.00 0.00 O ATOM 313 CB VAL A 24 11.696 3.361 1.104 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.525 3.134 0.159 1.00 0.00 C ATOM 315 CG2 VAL A 24 13.018 3.104 0.396 1.00 0.00 C ATOM 0 H VAL A 24 13.541 4.337 2.481 1.00 0.00 H new ATOM 0 HA VAL A 24 11.596 5.497 0.855 1.00 0.00 H new ATOM 0 HB VAL A 24 11.611 2.655 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.570 2.120 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.589 3.271 0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.577 3.848 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.026 2.090 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.138 3.817 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.839 3.221 1.104 1.00 0.00 H new ATOM 325 N VAL A 25 10.546 4.472 3.814 1.00 0.00 N ATOM 326 CA VAL A 25 9.446 4.550 4.768 1.00 0.00 C ATOM 327 C VAL A 25 9.006 5.997 4.971 1.00 0.00 C ATOM 328 O VAL A 25 7.811 6.291 5.015 1.00 0.00 O ATOM 329 CB VAL A 25 9.835 3.938 6.130 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.724 4.132 7.150 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.166 2.460 5.975 1.00 0.00 C ATOM 0 H VAL A 25 11.395 4.043 4.184 1.00 0.00 H new ATOM 0 HA VAL A 25 8.618 3.976 4.351 1.00 0.00 H new ATOM 0 HB VAL A 25 10.722 4.456 6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.023 3.692 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.537 5.197 7.286 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.815 3.646 6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.438 2.044 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.296 1.931 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.001 2.345 5.284 1.00 0.00 H new ATOM 341 N GLY A 26 9.979 6.897 5.091 1.00 0.00 N ATOM 342 CA GLY A 26 9.669 8.301 5.280 1.00 0.00 C ATOM 343 C GLY A 26 8.878 8.871 4.119 1.00 0.00 C ATOM 344 O GLY A 26 7.944 9.650 4.316 1.00 0.00 O ATOM 0 H GLY A 26 10.975 6.678 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.100 8.426 6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.595 8.864 5.398 1.00 0.00 H new ATOM 348 N TYR A 27 9.253 8.478 2.904 1.00 0.00 N ATOM 349 CA TYR A 27 8.570 8.948 1.706 1.00 0.00 C ATOM 350 C TYR A 27 7.123 8.470 1.691 1.00 0.00 C ATOM 351 O TYR A 27 6.231 9.177 1.223 1.00 0.00 O ATOM 352 CB TYR A 27 9.294 8.455 0.448 1.00 0.00 C ATOM 353 CG TYR A 27 10.736 8.910 0.349 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.108 10.200 0.714 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.724 8.047 -0.107 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.423 10.615 0.624 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.041 8.455 -0.199 1.00 0.00 C ATOM 358 CZ TYR A 27 13.385 9.739 0.168 1.00 0.00 C ATOM 359 OH TYR A 27 14.695 10.149 0.077 1.00 0.00 O ATOM 0 H TYR A 27 10.025 7.836 2.725 1.00 0.00 H new ATOM 0 HA TYR A 27 8.580 10.038 1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.265 7.366 0.428 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.752 8.804 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.357 10.888 1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.459 7.040 -0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.696 11.620 0.909 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.797 7.772 -0.557 1.00 0.00 H new ATOM 0 HH TYR A 27 15.246 9.412 -0.261 1.00 0.00 H new ATOM 369 N LEU A 28 6.899 7.266 2.207 1.00 0.00 N ATOM 370 CA LEU A 28 5.561 6.689 2.256 1.00 0.00 C ATOM 371 C LEU A 28 4.657 7.489 3.187 1.00 0.00 C ATOM 372 O LEU A 28 3.516 7.800 2.844 1.00 0.00 O ATOM 373 CB LEU A 28 5.629 5.232 2.717 1.00 0.00 C ATOM 374 CG LEU A 28 6.379 4.286 1.775 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.557 2.921 2.421 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.643 4.156 0.449 1.00 0.00 C ATOM 0 H LEU A 28 7.629 6.670 2.598 1.00 0.00 H new ATOM 0 HA LEU A 28 5.139 6.726 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.107 5.199 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.612 4.860 2.846 1.00 0.00 H new ATOM 0 HG LEU A 28 7.365 4.707 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.092 2.262 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.127 3.027 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.579 2.495 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.191 3.480 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.643 3.759 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.567 5.136 -0.022 1.00 0.00 H new ATOM 388 N GLU A 29 5.175 7.820 4.366 1.00 0.00 N ATOM 389 CA GLU A 29 4.416 8.586 5.348 1.00 0.00 C ATOM 390 C GLU A 29 3.930 9.901 4.748 1.00 0.00 C ATOM 391 O GLU A 29 2.777 10.293 4.936 1.00 0.00 O ATOM 392 CB GLU A 29 5.272 8.858 6.587 1.00 0.00 C ATOM 393 CG GLU A 29 5.721 7.596 7.306 1.00 0.00 C ATOM 394 CD GLU A 29 6.529 7.891 8.553 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.768 8.010 8.444 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.925 8.004 9.641 1.00 0.00 O ATOM 0 H GLU A 29 6.118 7.569 4.664 1.00 0.00 H new ATOM 0 HA GLU A 29 3.547 7.998 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.151 9.430 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.705 9.479 7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.846 7.006 7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.318 6.988 6.626 1.00 0.00 H new ATOM 403 N ASP A 30 4.816 10.576 4.022 1.00 0.00 N ATOM 404 CA ASP A 30 4.476 11.845 3.390 1.00 0.00 C ATOM 405 C ASP A 30 3.307 11.671 2.425 1.00 0.00 C ATOM 406 O ASP A 30 2.479 12.568 2.267 1.00 0.00 O ATOM 407 CB ASP A 30 5.687 12.412 2.646 1.00 0.00 C ATOM 408 CG ASP A 30 5.392 13.750 1.996 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.595 14.790 2.658 1.00 0.00 O ATOM 410 OD2 ASP A 30 4.957 13.758 0.825 1.00 0.00 O ATOM 0 H ASP A 30 5.773 10.265 3.857 1.00 0.00 H new ATOM 0 HA ASP A 30 4.181 12.545 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.518 12.525 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.006 11.703 1.882 1.00 0.00 H new ATOM 415 N ILE A 31 3.245 10.506 1.784 1.00 0.00 N ATOM 416 CA ILE A 31 2.176 10.209 0.837 1.00 0.00 C ATOM 417 C ILE A 31 0.863 9.944 1.567 1.00 0.00 C ATOM 418 O ILE A 31 -0.212 10.272 1.068 1.00 0.00 O ATOM 419 CB ILE A 31 2.526 8.992 -0.045 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.813 9.260 -0.829 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.377 8.675 -0.994 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.332 8.050 -1.578 1.00 0.00 C ATOM 0 H ILE A 31 3.923 9.753 1.904 1.00 0.00 H new ATOM 0 HA ILE A 31 2.062 11.083 0.196 1.00 0.00 H new ATOM 0 HB ILE A 31 2.686 8.128 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.634 10.067 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.583 9.607 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.640 7.814 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.480 8.448 -0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.187 9.535 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.246 8.316 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.544 7.248 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.581 7.715 -2.293 1.00 0.00 H new ATOM 434 N ILE A 32 0.958 9.352 2.755 1.00 0.00 N ATOM 435 CA ILE A 32 -0.224 9.046 3.552 1.00 0.00 C ATOM 436 C ILE A 32 -0.972 10.321 3.930 1.00 0.00 C ATOM 437 O ILE A 32 -2.201 10.365 3.892 1.00 0.00 O ATOM 438 CB ILE A 32 0.146 8.273 4.836 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.789 6.932 4.474 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.086 8.059 5.708 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.369 6.194 5.661 1.00 0.00 C ATOM 0 H ILE A 32 1.840 9.075 3.185 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.870 8.418 2.938 1.00 0.00 H new ATOM 0 HB ILE A 32 0.865 8.864 5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.043 6.299 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.579 7.104 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.804 7.512 6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.507 9.025 5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.829 7.486 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.807 5.254 5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.139 6.807 6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.579 5.990 6.384 1.00 0.00 H new ATOM 453 N MET A 33 -0.221 11.357 4.293 1.00 0.00 N ATOM 454 CA MET A 33 -0.816 12.632 4.675 1.00 0.00 C ATOM 455 C MET A 33 -0.881 13.584 3.484 1.00 0.00 C ATOM 456 O MET A 33 -1.142 14.777 3.646 1.00 0.00 O ATOM 457 CB MET A 33 -0.016 13.270 5.813 1.00 0.00 C ATOM 458 CG MET A 33 0.019 12.427 7.078 1.00 0.00 C ATOM 459 SD MET A 33 0.817 13.275 8.456 1.00 0.00 S ATOM 460 CE MET A 33 0.625 12.060 9.757 1.00 0.00 C ATOM 0 H MET A 33 0.798 11.338 4.330 1.00 0.00 H new ATOM 0 HA MET A 33 -1.833 12.442 5.017 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.005 13.445 5.475 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.446 14.244 6.047 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.999 12.161 7.361 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.547 11.495 6.875 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.070 12.439 10.677 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.435 11.866 9.920 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.123 11.135 9.467 1.00 0.00 H new ATOM 470 N ASP A 34 -0.645 13.051 2.288 1.00 0.00 N ATOM 471 CA ASP A 34 -0.679 13.858 1.072 1.00 0.00 C ATOM 472 C ASP A 34 -2.114 14.221 0.701 1.00 0.00 C ATOM 473 O ASP A 34 -3.009 13.378 0.748 1.00 0.00 O ATOM 474 CB ASP A 34 -0.009 13.112 -0.084 1.00 0.00 C ATOM 475 CG ASP A 34 0.124 13.972 -1.325 1.00 0.00 C ATOM 476 OD1 ASP A 34 -0.822 13.989 -2.139 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.174 14.629 -1.482 1.00 0.00 O ATOM 0 H ASP A 34 -0.429 12.066 2.135 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.129 14.779 1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.979 12.775 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.589 12.221 -0.323 1.00 0.00 H new ATOM 482 N ASP A 35 -2.322 15.482 0.330 1.00 0.00 N ATOM 483 CA ASP A 35 -3.647 15.967 -0.043 1.00 0.00 C ATOM 484 C ASP A 35 -4.237 15.158 -1.196 1.00 0.00 C ATOM 485 O ASP A 35 -5.398 14.750 -1.148 1.00 0.00 O ATOM 486 CB ASP A 35 -3.581 17.447 -0.426 1.00 0.00 C ATOM 487 CG ASP A 35 -2.604 17.712 -1.555 1.00 0.00 C ATOM 488 OD1 ASP A 35 -1.395 17.846 -1.276 1.00 0.00 O ATOM 489 OD2 ASP A 35 -3.050 17.786 -2.720 1.00 0.00 O ATOM 0 H ASP A 35 -1.587 16.188 0.280 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.299 15.846 0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.574 17.787 -0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.290 18.032 0.447 1.00 0.00 H new ATOM 494 N GLU A 36 -3.435 14.928 -2.231 1.00 0.00 N ATOM 495 CA GLU A 36 -3.885 14.170 -3.396 1.00 0.00 C ATOM 496 C GLU A 36 -4.240 12.735 -3.017 1.00 0.00 C ATOM 497 O GLU A 36 -5.069 12.100 -3.667 1.00 0.00 O ATOM 498 CB GLU A 36 -2.806 14.166 -4.481 1.00 0.00 C ATOM 499 CG GLU A 36 -2.492 15.545 -5.038 1.00 0.00 C ATOM 500 CD GLU A 36 -3.685 16.186 -5.720 1.00 0.00 C ATOM 501 OE1 GLU A 36 -4.057 15.727 -6.821 1.00 0.00 O ATOM 502 OE2 GLU A 36 -4.248 17.146 -5.153 1.00 0.00 O ATOM 0 H GLU A 36 -2.471 15.255 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.781 14.657 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.893 13.733 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.127 13.519 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.151 16.190 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.671 15.466 -5.750 1.00 0.00 H new ATOM 509 N PHE A 37 -3.608 12.232 -1.961 1.00 0.00 N ATOM 510 CA PHE A 37 -3.849 10.869 -1.502 1.00 0.00 C ATOM 511 C PHE A 37 -5.168 10.764 -0.741 1.00 0.00 C ATOM 512 O PHE A 37 -5.919 9.805 -0.915 1.00 0.00 O ATOM 513 CB PHE A 37 -2.694 10.401 -0.614 1.00 0.00 C ATOM 514 CG PHE A 37 -2.845 8.990 -0.120 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.599 7.917 -0.961 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.229 8.738 1.188 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.735 6.618 -0.508 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.367 7.441 1.646 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.119 6.380 0.797 1.00 0.00 C ATOM 0 H PHE A 37 -2.925 12.748 -1.407 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.913 10.226 -2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.762 10.483 -1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.612 11.070 0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.298 8.097 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.422 9.564 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.541 5.790 -1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.668 7.257 2.667 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.225 5.366 1.153 1.00 0.00 H new ATOM 529 N GLN A 38 -5.443 11.754 0.102 1.00 0.00 N ATOM 530 CA GLN A 38 -6.669 11.765 0.893 1.00 0.00 C ATOM 531 C GLN A 38 -7.904 11.882 0.002 1.00 0.00 C ATOM 532 O GLN A 38 -8.890 11.170 0.194 1.00 0.00 O ATOM 533 CB GLN A 38 -6.639 12.919 1.897 1.00 0.00 C ATOM 534 CG GLN A 38 -5.484 12.835 2.885 1.00 0.00 C ATOM 535 CD GLN A 38 -5.495 13.969 3.894 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.551 14.498 4.239 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.316 14.344 4.375 1.00 0.00 N ATOM 0 H GLN A 38 -4.835 12.558 0.255 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.728 10.819 1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.574 13.861 1.353 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.579 12.934 2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.531 11.883 3.414 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.541 12.849 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.465 13.877 4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.261 15.099 5.059 1.00 0.00 H new ATOM 546 N LEU A 39 -7.843 12.783 -0.974 1.00 0.00 N ATOM 547 CA LEU A 39 -8.956 12.997 -1.894 1.00 0.00 C ATOM 548 C LEU A 39 -9.178 11.778 -2.784 1.00 0.00 C ATOM 549 O LEU A 39 -10.313 11.356 -3.004 1.00 0.00 O ATOM 550 CB LEU A 39 -8.691 14.236 -2.757 1.00 0.00 C ATOM 551 CG LEU A 39 -9.891 14.752 -3.558 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.743 16.240 -3.833 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.035 13.986 -4.867 1.00 0.00 C ATOM 0 H LEU A 39 -7.033 13.378 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.859 13.154 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.336 15.038 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.884 14.007 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.792 14.593 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.603 16.592 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.688 16.781 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.832 16.415 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.893 14.368 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.132 14.113 -5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.183 12.927 -4.655 1.00 0.00 H new ATOM 565 N LEU A 40 -8.085 11.217 -3.291 1.00 0.00 N ATOM 566 CA LEU A 40 -8.153 10.053 -4.170 1.00 0.00 C ATOM 567 C LEU A 40 -8.651 8.818 -3.426 1.00 0.00 C ATOM 568 O LEU A 40 -9.418 8.022 -3.970 1.00 0.00 O ATOM 569 CB LEU A 40 -6.774 9.782 -4.782 1.00 0.00 C ATOM 570 CG LEU A 40 -6.688 8.559 -5.698 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.716 8.818 -6.838 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.259 7.331 -4.907 1.00 0.00 C ATOM 0 H LEU A 40 -7.138 11.550 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.866 10.271 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.469 10.661 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.054 9.659 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.676 8.373 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.666 7.939 -7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.058 9.674 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.726 9.027 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.203 6.470 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.280 7.509 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.986 7.133 -4.119 1.00 0.00 H new ATOM 584 N GLN A 41 -8.215 8.662 -2.181 1.00 0.00 N ATOM 585 CA GLN A 41 -8.611 7.514 -1.369 1.00 0.00 C ATOM 586 C GLN A 41 -10.118 7.495 -1.129 1.00 0.00 C ATOM 587 O GLN A 41 -10.777 6.480 -1.356 1.00 0.00 O ATOM 588 CB GLN A 41 -7.874 7.535 -0.029 1.00 0.00 C ATOM 589 CG GLN A 41 -8.113 6.296 0.820 1.00 0.00 C ATOM 590 CD GLN A 41 -7.437 6.378 2.174 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.399 7.024 2.325 1.00 0.00 O ATOM 592 NE2 GLN A 41 -8.021 5.718 3.168 1.00 0.00 N ATOM 0 H GLN A 41 -7.588 9.315 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.342 6.611 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.805 7.637 -0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.186 8.415 0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.185 6.158 0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.746 5.419 0.287 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.880 5.196 2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.610 5.734 4.101 1.00 0.00 H new ATOM 601 N ARG A 42 -10.657 8.619 -0.669 1.00 0.00 N ATOM 602 CA ARG A 42 -12.084 8.727 -0.386 1.00 0.00 C ATOM 603 C ARG A 42 -12.914 8.682 -1.666 1.00 0.00 C ATOM 604 O ARG A 42 -14.035 8.174 -1.671 1.00 0.00 O ATOM 605 CB ARG A 42 -12.373 10.024 0.371 1.00 0.00 C ATOM 606 CG ARG A 42 -13.828 10.185 0.780 1.00 0.00 C ATOM 607 CD ARG A 42 -14.067 11.522 1.461 1.00 0.00 C ATOM 608 NE ARG A 42 -13.222 11.692 2.641 1.00 0.00 N ATOM 609 CZ ARG A 42 -13.140 12.825 3.334 1.00 0.00 C ATOM 610 NH1 ARG A 42 -13.852 13.882 2.968 1.00 0.00 N ATOM 611 NH2 ARG A 42 -12.348 12.899 4.396 1.00 0.00 N ATOM 0 H ARG A 42 -10.126 9.470 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.365 7.873 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.748 10.060 1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.085 10.870 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.466 10.104 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.110 9.376 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.871 12.329 0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.115 11.599 1.751 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.663 10.897 2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.464 13.828 2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.788 14.750 3.501 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.801 12.087 4.682 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.286 13.768 4.926 1.00 0.00 H new ATOM 625 N ASN A 43 -12.357 9.210 -2.751 1.00 0.00 N ATOM 626 CA ASN A 43 -13.055 9.241 -4.033 1.00 0.00 C ATOM 627 C ASN A 43 -13.373 7.835 -4.533 1.00 0.00 C ATOM 628 O ASN A 43 -14.500 7.554 -4.942 1.00 0.00 O ATOM 629 CB ASN A 43 -12.219 9.988 -5.074 1.00 0.00 C ATOM 630 CG ASN A 43 -12.920 10.090 -6.415 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.148 10.121 -6.486 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.139 10.142 -7.488 1.00 0.00 N ATOM 0 H ASN A 43 -11.424 9.622 -2.769 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.998 9.766 -3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.997 10.990 -4.706 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.265 9.477 -5.204 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.553 10.211 -8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.125 10.113 -7.383 1.00 0.00 H new ATOM 639 N PHE A 44 -12.378 6.954 -4.502 1.00 0.00 N ATOM 640 CA PHE A 44 -12.562 5.581 -4.964 1.00 0.00 C ATOM 641 C PHE A 44 -13.275 4.726 -3.918 1.00 0.00 C ATOM 642 O PHE A 44 -14.212 3.996 -4.243 1.00 0.00 O ATOM 643 CB PHE A 44 -11.214 4.956 -5.333 1.00 0.00 C ATOM 644 CG PHE A 44 -10.730 5.354 -6.701 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.095 6.569 -6.900 1.00 0.00 C ATOM 646 CD2 PHE A 44 -10.915 4.512 -7.786 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.652 6.938 -8.157 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.476 4.875 -9.045 1.00 0.00 C ATOM 649 CZ PHE A 44 -9.843 6.090 -9.230 1.00 0.00 C ATOM 0 H PHE A 44 -11.439 7.164 -4.163 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.193 5.613 -5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.470 5.249 -4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.299 3.870 -5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.944 7.236 -6.064 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.408 3.561 -7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.158 7.888 -8.299 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -10.627 4.211 -9.883 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.498 6.376 -10.213 1.00 0.00 H new ATOM 659 N MET A 45 -12.833 4.815 -2.667 1.00 0.00 N ATOM 660 CA MET A 45 -13.442 4.042 -1.588 1.00 0.00 C ATOM 661 C MET A 45 -14.932 4.351 -1.462 1.00 0.00 C ATOM 662 O MET A 45 -15.702 3.533 -0.961 1.00 0.00 O ATOM 663 CB MET A 45 -12.739 4.318 -0.258 1.00 0.00 C ATOM 664 CG MET A 45 -11.347 3.714 -0.165 1.00 0.00 C ATOM 665 SD MET A 45 -10.626 3.883 1.479 1.00 0.00 S ATOM 666 CE MET A 45 -11.794 2.943 2.461 1.00 0.00 C ATOM 0 H MET A 45 -12.059 5.412 -2.376 1.00 0.00 H new ATOM 0 HA MET A 45 -13.327 2.987 -1.835 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.668 5.396 -0.112 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.351 3.925 0.554 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.395 2.658 -0.430 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.696 4.196 -0.894 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.483 2.954 3.506 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.785 3.388 2.372 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.825 1.914 2.103 1.00 0.00 H new ATOM 676 N ASP A 46 -15.329 5.536 -1.914 1.00 0.00 N ATOM 677 CA ASP A 46 -16.727 5.952 -1.852 1.00 0.00 C ATOM 678 C ASP A 46 -17.611 5.024 -2.679 1.00 0.00 C ATOM 679 O ASP A 46 -18.781 4.820 -2.359 1.00 0.00 O ATOM 680 CB ASP A 46 -16.878 7.392 -2.347 1.00 0.00 C ATOM 681 CG ASP A 46 -18.321 7.855 -2.345 1.00 0.00 C ATOM 682 OD1 ASP A 46 -18.804 8.292 -1.278 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.971 7.781 -3.409 1.00 0.00 O ATOM 0 H ASP A 46 -14.702 6.226 -2.328 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.047 5.897 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.286 8.054 -1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.475 7.470 -3.357 1.00 0.00 H new ATOM 688 N LYS A 47 -17.048 4.474 -3.748 1.00 0.00 N ATOM 689 CA LYS A 47 -17.786 3.572 -4.627 1.00 0.00 C ATOM 690 C LYS A 47 -17.561 2.111 -4.242 1.00 0.00 C ATOM 691 O LYS A 47 -18.479 1.292 -4.309 1.00 0.00 O ATOM 692 CB LYS A 47 -17.359 3.793 -6.078 1.00 0.00 C ATOM 693 CG LYS A 47 -17.746 5.156 -6.630 1.00 0.00 C ATOM 694 CD LYS A 47 -19.253 5.302 -6.759 1.00 0.00 C ATOM 695 CE LYS A 47 -19.635 6.645 -7.362 1.00 0.00 C ATOM 696 NZ LYS A 47 -19.102 7.784 -6.566 1.00 0.00 N ATOM 0 H LYS A 47 -16.081 4.637 -4.028 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.848 3.793 -4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.278 3.675 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.807 3.019 -6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.359 5.937 -5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.282 5.299 -7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.645 4.498 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.715 5.199 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.255 6.706 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.721 6.720 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.662 8.638 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.162 7.557 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.109 7.954 -6.825 1.00 0.00 H new ATOM 710 N TYR A 48 -16.335 1.795 -3.844 1.00 0.00 N ATOM 711 CA TYR A 48 -15.977 0.433 -3.453 1.00 0.00 C ATOM 712 C TYR A 48 -16.859 -0.084 -2.317 1.00 0.00 C ATOM 713 O TYR A 48 -17.441 -1.163 -2.419 1.00 0.00 O ATOM 714 CB TYR A 48 -14.507 0.373 -3.033 1.00 0.00 C ATOM 715 CG TYR A 48 -13.532 0.318 -4.193 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.626 1.208 -5.256 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.511 -0.627 -4.219 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.734 1.157 -6.310 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.614 -0.682 -5.270 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.731 0.212 -6.312 1.00 0.00 C ATOM 721 OH TYR A 48 -10.840 0.161 -7.360 1.00 0.00 O ATOM 0 H TYR A 48 -15.568 2.464 -3.783 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.137 -0.208 -4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.279 1.247 -2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.356 -0.504 -2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.409 1.952 -5.258 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.417 -1.330 -3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.823 1.855 -7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.827 -1.421 -5.274 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.925 0.144 -7.011 1.00 0.00 H new ATOM 731 N TYR A 49 -16.957 0.685 -1.235 1.00 0.00 N ATOM 732 CA TYR A 49 -17.755 0.277 -0.080 1.00 0.00 C ATOM 733 C TYR A 49 -19.238 0.163 -0.434 1.00 0.00 C ATOM 734 O TYR A 49 -20.017 -0.424 0.317 1.00 0.00 O ATOM 735 CB TYR A 49 -17.554 1.255 1.087 1.00 0.00 C ATOM 736 CG TYR A 49 -18.618 2.329 1.200 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.588 3.456 0.388 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.648 2.216 2.127 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.556 4.439 0.497 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.619 3.193 2.239 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.568 4.302 1.423 1.00 0.00 C ATOM 742 OH TYR A 49 -21.531 5.278 1.533 1.00 0.00 O ATOM 0 H TYR A 49 -16.497 1.590 -1.133 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.411 -0.711 0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.527 0.689 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.582 1.735 0.978 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.797 3.567 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.690 1.350 2.771 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.519 5.310 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.414 3.088 2.963 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.172 5.028 2.231 1.00 0.00 H new ATOM 752 N LEU A 50 -19.623 0.723 -1.577 1.00 0.00 N ATOM 753 CA LEU A 50 -21.014 0.673 -2.016 1.00 0.00 C ATOM 754 C LEU A 50 -21.332 -0.662 -2.680 1.00 0.00 C ATOM 755 O LEU A 50 -22.388 -1.249 -2.440 1.00 0.00 O ATOM 756 CB LEU A 50 -21.313 1.820 -2.986 1.00 0.00 C ATOM 757 CG LEU A 50 -21.387 3.209 -2.349 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.592 4.273 -3.416 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.504 3.266 -1.318 1.00 0.00 C ATOM 0 H LEU A 50 -18.995 1.214 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.645 0.779 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.543 1.832 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.261 1.615 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.442 3.406 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.642 5.255 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.759 4.249 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.522 4.078 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.541 4.262 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.456 3.048 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.316 2.529 -0.537 1.00 0.00 H new ATOM 771 N GLU A 51 -20.413 -1.137 -3.515 1.00 0.00 N ATOM 772 CA GLU A 51 -20.599 -2.402 -4.216 1.00 0.00 C ATOM 773 C GLU A 51 -20.323 -3.587 -3.295 1.00 0.00 C ATOM 774 O GLU A 51 -20.970 -4.629 -3.399 1.00 0.00 O ATOM 775 CB GLU A 51 -19.684 -2.470 -5.441 1.00 0.00 C ATOM 776 CG GLU A 51 -19.897 -1.330 -6.423 1.00 0.00 C ATOM 777 CD GLU A 51 -19.046 -1.467 -7.669 1.00 0.00 C ATOM 778 OE1 GLU A 51 -17.894 -0.981 -7.657 1.00 0.00 O ATOM 779 OE2 GLU A 51 -19.528 -2.058 -8.656 1.00 0.00 O ATOM 0 H GLU A 51 -19.533 -0.665 -3.722 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.638 -2.455 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.646 -2.464 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.849 -3.417 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.948 -1.293 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.666 -0.385 -5.932 1.00 0.00 H new ATOM 786 N PHE A 52 -19.360 -3.421 -2.393 1.00 0.00 N ATOM 787 CA PHE A 52 -19.004 -4.478 -1.453 1.00 0.00 C ATOM 788 C PHE A 52 -20.051 -4.607 -0.351 1.00 0.00 C ATOM 789 O PHE A 52 -19.940 -3.976 0.701 1.00 0.00 O ATOM 790 CB PHE A 52 -17.630 -4.208 -0.832 1.00 0.00 C ATOM 791 CG PHE A 52 -16.472 -4.649 -1.686 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.158 -3.978 -2.857 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.693 -5.733 -1.308 1.00 0.00 C ATOM 794 CE1 PHE A 52 -15.088 -4.381 -3.636 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.623 -6.137 -2.083 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.320 -5.461 -3.248 1.00 0.00 C ATOM 0 H PHE A 52 -18.813 -2.566 -2.294 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.966 -5.415 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.536 -3.140 -0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.572 -4.716 0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.755 -3.132 -3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.925 -6.267 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.853 -3.851 -4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -14.023 -6.982 -1.777 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.484 -5.776 -3.855 1.00 0.00 H new ATOM 806 N GLU A 53 -21.073 -5.419 -0.602 1.00 0.00 N ATOM 807 CA GLU A 53 -22.133 -5.635 0.376 1.00 0.00 C ATOM 808 C GLU A 53 -21.929 -6.965 1.093 1.00 0.00 C ATOM 809 O GLU A 53 -21.372 -7.906 0.527 1.00 0.00 O ATOM 810 CB GLU A 53 -23.506 -5.613 -0.302 1.00 0.00 C ATOM 811 CG GLU A 53 -23.821 -4.299 -0.998 1.00 0.00 C ATOM 812 CD GLU A 53 -25.216 -4.274 -1.592 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.392 -4.784 -2.718 1.00 0.00 O ATOM 814 OE2 GLU A 53 -26.134 -3.747 -0.928 1.00 0.00 O ATOM 0 H GLU A 53 -21.189 -5.937 -1.473 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.092 -4.828 1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.554 -6.421 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.274 -5.812 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.719 -3.481 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.090 -4.126 -1.788 1.00 0.00 H new ATOM 821 N ASP A 54 -22.378 -7.036 2.342 1.00 0.00 N ATOM 822 CA ASP A 54 -22.237 -8.253 3.131 1.00 0.00 C ATOM 823 C ASP A 54 -23.214 -9.323 2.655 1.00 0.00 C ATOM 824 O ASP A 54 -24.376 -9.340 3.059 1.00 0.00 O ATOM 825 CB ASP A 54 -22.466 -7.957 4.614 1.00 0.00 C ATOM 826 CG ASP A 54 -22.236 -9.173 5.488 1.00 0.00 C ATOM 827 OD1 ASP A 54 -21.069 -9.437 5.844 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.225 -9.862 5.817 1.00 0.00 O ATOM 0 H ASP A 54 -22.841 -6.268 2.828 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.222 -8.627 2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.798 -7.155 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.485 -7.598 4.757 1.00 0.00 H new ATOM 833 N THR A 55 -22.732 -10.208 1.788 1.00 0.00 N ATOM 834 CA THR A 55 -23.559 -11.283 1.251 1.00 0.00 C ATOM 835 C THR A 55 -22.776 -12.590 1.173 1.00 0.00 C ATOM 836 O THR A 55 -21.545 -12.590 1.218 1.00 0.00 O ATOM 837 CB THR A 55 -24.094 -10.936 -0.152 1.00 0.00 C ATOM 838 OG1 THR A 55 -23.003 -10.699 -1.048 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.991 -9.709 -0.105 1.00 0.00 C ATOM 0 H THR A 55 -21.772 -10.202 1.442 1.00 0.00 H new ATOM 0 HA THR A 55 -24.401 -11.404 1.933 1.00 0.00 H new ATOM 0 HB THR A 55 -24.682 -11.782 -0.509 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.352 -10.481 -1.938 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.355 -9.486 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.838 -9.902 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.424 -8.858 0.273 1.00 0.00 H new ATOM 847 N GLU A 56 -23.496 -13.701 1.053 1.00 0.00 N ATOM 848 CA GLU A 56 -22.868 -15.014 0.967 1.00 0.00 C ATOM 849 C GLU A 56 -22.712 -15.445 -0.487 1.00 0.00 C ATOM 850 O GLU A 56 -22.230 -16.543 -0.770 1.00 0.00 O ATOM 851 CB GLU A 56 -23.693 -16.050 1.732 1.00 0.00 C ATOM 852 CG GLU A 56 -25.115 -16.196 1.217 1.00 0.00 C ATOM 853 CD GLU A 56 -25.894 -17.269 1.950 1.00 0.00 C ATOM 854 OE1 GLU A 56 -25.854 -18.437 1.508 1.00 0.00 O ATOM 855 OE2 GLU A 56 -26.543 -16.944 2.966 1.00 0.00 O ATOM 0 H GLU A 56 -24.515 -13.718 1.013 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.878 -14.946 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.193 -17.017 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.724 -15.772 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.634 -15.243 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -25.090 -16.433 0.153 1.00 0.00 H new ATOM 862 N GLU A 57 -23.121 -14.574 -1.403 1.00 0.00 N ATOM 863 CA GLU A 57 -23.028 -14.865 -2.829 1.00 0.00 C ATOM 864 C GLU A 57 -21.698 -14.383 -3.395 1.00 0.00 C ATOM 865 O GLU A 57 -21.091 -13.448 -2.873 1.00 0.00 O ATOM 866 CB GLU A 57 -24.186 -14.206 -3.582 1.00 0.00 C ATOM 867 CG GLU A 57 -25.557 -14.619 -3.072 1.00 0.00 C ATOM 868 CD GLU A 57 -26.688 -13.961 -3.839 1.00 0.00 C ATOM 869 OE1 GLU A 57 -27.085 -12.838 -3.464 1.00 0.00 O ATOM 870 OE2 GLU A 57 -27.176 -14.568 -4.815 1.00 0.00 O ATOM 0 H GLU A 57 -23.520 -13.661 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 57 -23.088 -15.945 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.090 -13.123 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.110 -14.457 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -25.656 -15.702 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -25.641 -14.361 -2.016 1.00 0.00 H new ATOM 877 N ASN A 58 -21.249 -15.030 -4.466 1.00 0.00 N ATOM 878 CA ASN A 58 -19.990 -14.669 -5.106 1.00 0.00 C ATOM 879 C ASN A 58 -20.241 -13.842 -6.363 1.00 0.00 C ATOM 880 O ASN A 58 -20.712 -14.362 -7.376 1.00 0.00 O ATOM 881 CB ASN A 58 -19.192 -15.926 -5.458 1.00 0.00 C ATOM 882 CG ASN A 58 -17.853 -15.606 -6.093 1.00 0.00 C ATOM 883 OD1 ASN A 58 -16.846 -15.449 -5.402 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.835 -15.509 -7.417 1.00 0.00 N ATOM 0 H ASN A 58 -21.739 -15.807 -4.909 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.412 -14.068 -4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.031 -16.514 -4.555 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -19.776 -16.543 -6.141 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.963 -15.297 -7.901 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.694 -15.647 -7.950 1.00 0.00 H new ATOM 891 N LYS A 59 -19.928 -12.552 -6.291 1.00 0.00 N ATOM 892 CA LYS A 59 -20.119 -11.652 -7.423 1.00 0.00 C ATOM 893 C LYS A 59 -18.853 -11.561 -8.266 1.00 0.00 C ATOM 894 O LYS A 59 -17.753 -11.397 -7.736 1.00 0.00 O ATOM 895 CB LYS A 59 -20.518 -10.259 -6.935 1.00 0.00 C ATOM 896 CG LYS A 59 -21.796 -10.239 -6.114 1.00 0.00 C ATOM 897 CD LYS A 59 -22.142 -8.831 -5.657 1.00 0.00 C ATOM 898 CE LYS A 59 -23.452 -8.800 -4.888 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.814 -7.420 -4.460 1.00 0.00 N ATOM 0 H LYS A 59 -19.540 -12.106 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.920 -12.056 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.706 -9.848 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.641 -9.604 -7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.617 -10.642 -6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.682 -10.887 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.340 -8.445 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.212 -8.173 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.248 -9.207 -5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.373 -9.443 -4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.714 -7.443 -3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.067 -7.040 -3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.915 -6.812 -5.298 1.00 0.00 H new ATOM 913 N LEU A 60 -19.013 -11.669 -9.582 1.00 0.00 N ATOM 914 CA LEU A 60 -17.882 -11.597 -10.501 1.00 0.00 C ATOM 915 C LEU A 60 -17.395 -10.159 -10.655 1.00 0.00 C ATOM 916 O LEU A 60 -16.350 -9.908 -11.255 1.00 0.00 O ATOM 917 CB LEU A 60 -18.270 -12.168 -11.867 1.00 0.00 C ATOM 918 CG LEU A 60 -18.705 -13.636 -11.858 1.00 0.00 C ATOM 919 CD1 LEU A 60 -19.258 -14.038 -13.216 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.540 -14.536 -11.472 1.00 0.00 C ATOM 0 H LEU A 60 -19.916 -11.807 -10.036 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.069 -12.192 -10.085 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.082 -11.567 -12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.421 -12.061 -12.543 1.00 0.00 H new ATOM 0 HG LEU A 60 -19.494 -13.755 -11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -19.562 -15.084 -13.190 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.120 -13.416 -13.456 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -18.489 -13.902 -13.977 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.868 -15.575 -11.471 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.730 -14.412 -12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.186 -14.266 -10.477 1.00 0.00 H new ATOM 932 N ILE A 61 -18.159 -9.218 -10.106 1.00 0.00 N ATOM 933 CA ILE A 61 -17.809 -7.804 -10.184 1.00 0.00 C ATOM 934 C ILE A 61 -16.616 -7.481 -9.285 1.00 0.00 C ATOM 935 O ILE A 61 -15.948 -6.458 -9.458 1.00 0.00 O ATOM 936 CB ILE A 61 -19.005 -6.911 -9.790 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.695 -5.437 -10.067 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.365 -7.115 -8.326 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.486 -5.123 -11.533 1.00 0.00 C ATOM 0 H ILE A 61 -19.025 -9.410 -9.602 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.539 -7.597 -11.219 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.862 -7.200 -10.399 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.513 -4.825 -9.687 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.800 -5.153 -9.513 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.210 -6.477 -8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.633 -8.158 -8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.510 -6.856 -7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.271 -4.061 -11.651 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.649 -5.707 -11.914 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.388 -5.375 -12.091 1.00 0.00 H new ATOM 951 N TYR A 62 -16.343 -8.367 -8.333 1.00 0.00 N ATOM 952 CA TYR A 62 -15.230 -8.176 -7.413 1.00 0.00 C ATOM 953 C TYR A 62 -13.895 -8.398 -8.116 1.00 0.00 C ATOM 954 O TYR A 62 -12.848 -7.972 -7.625 1.00 0.00 O ATOM 955 CB TYR A 62 -15.355 -9.122 -6.214 1.00 0.00 C ATOM 956 CG TYR A 62 -16.533 -8.818 -5.313 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.767 -7.528 -4.851 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.410 -9.823 -4.924 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.840 -7.249 -4.026 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.486 -9.550 -4.098 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.697 -8.263 -3.653 1.00 0.00 C ATOM 962 OH TYR A 62 -19.766 -7.990 -2.831 1.00 0.00 O ATOM 0 H TYR A 62 -16.877 -9.223 -8.179 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.264 -7.147 -7.056 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.444 -10.145 -6.579 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.438 -9.071 -5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -16.099 -6.731 -5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.249 -10.833 -5.272 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -18.007 -6.241 -3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.158 -10.343 -3.803 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.270 -8.814 -2.666 1.00 0.00 H new ATOM 972 N THR A 63 -13.932 -9.067 -9.266 1.00 0.00 N ATOM 973 CA THR A 63 -12.718 -9.338 -10.027 1.00 0.00 C ATOM 974 C THR A 63 -12.176 -8.066 -10.689 1.00 0.00 C ATOM 975 O THR A 63 -11.002 -7.736 -10.519 1.00 0.00 O ATOM 976 CB THR A 63 -12.948 -10.425 -11.100 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.432 -11.624 -10.483 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.662 -10.724 -11.856 1.00 0.00 C ATOM 0 H THR A 63 -14.786 -9.430 -9.689 1.00 0.00 H new ATOM 0 HA THR A 63 -11.979 -9.705 -9.315 1.00 0.00 H new ATOM 0 HB THR A 63 -13.688 -10.053 -11.809 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.578 -12.309 -11.169 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.851 -11.492 -12.606 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.309 -9.817 -12.347 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.903 -11.077 -11.158 1.00 0.00 H new ATOM 986 N PRO A 64 -13.012 -7.326 -11.455 1.00 0.00 N ATOM 987 CA PRO A 64 -12.575 -6.086 -12.106 1.00 0.00 C ATOM 988 C PRO A 64 -12.249 -4.996 -11.093 1.00 0.00 C ATOM 989 O PRO A 64 -11.268 -4.270 -11.246 1.00 0.00 O ATOM 990 CB PRO A 64 -13.775 -5.676 -12.965 1.00 0.00 C ATOM 991 CG PRO A 64 -14.943 -6.347 -12.332 1.00 0.00 C ATOM 992 CD PRO A 64 -14.421 -7.636 -11.765 1.00 0.00 C ATOM 0 HA PRO A 64 -11.662 -6.231 -12.683 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.900 -4.593 -12.978 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.648 -5.995 -14.000 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.375 -5.723 -11.550 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.730 -6.532 -13.063 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.972 -7.936 -10.874 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.505 -8.453 -12.481 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.080 -4.886 -10.057 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.866 -3.885 -9.019 1.00 0.00 C ATOM 1002 C ILE A 65 -11.519 -4.095 -8.337 1.00 0.00 C ATOM 1003 O ILE A 65 -10.809 -3.136 -8.030 1.00 0.00 O ATOM 1004 CB ILE A 65 -13.984 -3.921 -7.957 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.339 -3.622 -8.602 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.692 -2.924 -6.843 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.514 -3.839 -7.672 1.00 0.00 C ATOM 0 H ILE A 65 -13.901 -5.474 -9.917 1.00 0.00 H new ATOM 0 HA ILE A 65 -12.880 -2.910 -9.506 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.019 -4.920 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.347 -2.589 -8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.461 -4.254 -9.481 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.491 -2.962 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.744 -3.176 -6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.632 -1.919 -7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.441 -3.608 -8.197 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.532 -4.879 -7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.416 -3.187 -6.804 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.171 -5.357 -8.106 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.907 -5.698 -7.465 1.00 0.00 C ATOM 1021 C PHE A 66 -8.730 -5.240 -8.319 1.00 0.00 C ATOM 1022 O PHE A 66 -7.787 -4.628 -7.818 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.824 -7.208 -7.223 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.560 -7.640 -6.532 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.396 -7.445 -5.170 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.537 -8.244 -7.246 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.236 -7.845 -4.533 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.375 -8.645 -6.615 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.224 -8.445 -5.257 1.00 0.00 C ATOM 0 H PHE A 66 -11.748 -6.161 -8.354 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.860 -5.183 -6.505 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.680 -7.519 -6.624 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.900 -7.725 -8.179 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.183 -6.975 -4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.649 -8.403 -8.308 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.121 -7.689 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.586 -9.114 -7.183 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.316 -8.757 -4.762 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.797 -5.538 -9.614 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.739 -5.159 -10.543 1.00 0.00 C ATOM 1041 C ASN A 67 -7.622 -3.642 -10.648 1.00 0.00 C ATOM 1042 O ASN A 67 -6.566 -3.114 -10.994 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.006 -5.759 -11.925 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.078 -7.273 -11.893 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.423 -7.921 -11.078 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.880 -7.846 -12.784 1.00 0.00 N ATOM 0 H ASN A 67 -9.574 -6.041 -10.043 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.797 -5.551 -10.160 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.943 -5.362 -12.316 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.217 -5.450 -12.611 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.970 -8.862 -12.810 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.405 -7.270 -13.442 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.714 -2.947 -10.346 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.732 -1.490 -10.402 1.00 0.00 C ATOM 1055 C GLU A 68 -7.963 -0.891 -9.230 1.00 0.00 C ATOM 1056 O GLU A 68 -7.264 0.108 -9.381 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.174 -0.976 -10.398 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.284 0.539 -10.449 1.00 0.00 C ATOM 1059 CD GLU A 68 -9.670 1.127 -11.705 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -10.396 1.260 -12.713 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -8.465 1.453 -11.680 1.00 0.00 O ATOM 0 H GLU A 68 -9.597 -3.369 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.246 -1.181 -11.327 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.703 -1.399 -11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.677 -1.338 -9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.334 0.825 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.792 0.965 -9.575 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.098 -1.509 -8.061 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.414 -1.042 -6.858 1.00 0.00 C ATOM 1070 C TYR A 69 -5.913 -1.286 -6.961 1.00 0.00 C ATOM 1071 O TYR A 69 -5.103 -0.478 -6.505 1.00 0.00 O ATOM 1072 CB TYR A 69 -7.978 -1.758 -5.628 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.503 -1.188 -4.310 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.185 -0.145 -3.698 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.378 -1.698 -3.674 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.761 0.376 -2.491 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -5.946 -1.182 -2.466 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.640 -0.146 -1.879 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.213 0.369 -0.677 1.00 0.00 O ATOM 0 H TYR A 69 -8.677 -2.337 -7.920 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.582 0.030 -6.759 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.066 -1.711 -5.661 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.703 -2.812 -5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.063 0.266 -4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.832 -2.510 -4.130 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.304 1.187 -2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.069 -1.589 -1.985 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.738 -0.325 -0.174 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.552 -2.411 -7.567 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.155 -2.784 -7.739 1.00 0.00 C ATOM 1091 C ILE A 70 -3.480 -1.946 -8.823 1.00 0.00 C ATOM 1092 O ILE A 70 -2.273 -1.723 -8.784 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.020 -4.279 -8.090 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.733 -5.136 -7.038 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.553 -4.675 -8.204 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.154 -5.006 -5.643 1.00 0.00 C ATOM 0 H ILE A 70 -6.215 -3.085 -7.950 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.656 -2.593 -6.789 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.492 -4.453 -9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.787 -4.858 -7.011 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.687 -6.181 -7.344 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.480 -5.734 -8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.077 -4.085 -8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.051 -4.490 -7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.712 -5.643 -4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.108 -5.313 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.225 -3.969 -5.315 1.00 0.00 H new ATOM 1108 N SER A 71 -4.261 -1.493 -9.795 1.00 0.00 N ATOM 1109 CA SER A 71 -3.724 -0.690 -10.887 1.00 0.00 C ATOM 1110 C SER A 71 -3.774 0.802 -10.565 1.00 0.00 C ATOM 1111 O SER A 71 -2.955 1.577 -11.057 1.00 0.00 O ATOM 1112 CB SER A 71 -4.501 -0.968 -12.174 1.00 0.00 C ATOM 1113 OG SER A 71 -4.334 -2.312 -12.591 1.00 0.00 O ATOM 0 H SER A 71 -5.265 -1.667 -9.850 1.00 0.00 H new ATOM 0 HA SER A 71 -2.680 -0.971 -11.023 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.560 -0.762 -12.015 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.160 -0.295 -12.961 1.00 0.00 H new ATOM 0 HG SER A 71 -5.007 -2.876 -12.155 1.00 0.00 H new ATOM 1119 N LEU A 72 -4.744 1.203 -9.750 1.00 0.00 N ATOM 1120 CA LEU A 72 -4.902 2.609 -9.387 1.00 0.00 C ATOM 1121 C LEU A 72 -4.109 2.977 -8.130 1.00 0.00 C ATOM 1122 O LEU A 72 -3.214 3.820 -8.175 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.389 2.932 -9.191 1.00 0.00 C ATOM 1124 CG LEU A 72 -6.750 4.417 -9.036 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.539 4.884 -7.604 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -5.948 5.279 -10.003 1.00 0.00 C ATOM 0 H LEU A 72 -5.431 0.578 -9.329 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.501 3.207 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.940 2.533 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.740 2.401 -8.307 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.807 4.527 -9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.802 5.939 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.170 4.300 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.493 4.749 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.223 6.325 -9.872 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.884 5.156 -9.803 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.162 4.973 -11.027 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.445 2.337 -7.013 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.799 2.627 -5.734 1.00 0.00 C ATOM 1140 C VAL A 73 -2.358 2.122 -5.661 1.00 0.00 C ATOM 1141 O VAL A 73 -1.437 2.905 -5.427 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.602 2.034 -4.562 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -3.938 2.362 -3.232 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.033 2.549 -4.594 1.00 0.00 C ATOM 0 H VAL A 73 -5.162 1.613 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.774 3.714 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.622 0.949 -4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.522 1.933 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.931 1.944 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.884 3.444 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.592 2.123 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.030 3.636 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.504 2.258 -5.533 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.162 0.821 -5.851 1.00 0.00 N ATOM 1155 CA GLU A 74 -0.821 0.242 -5.781 1.00 0.00 C ATOM 1156 C GLU A 74 0.153 0.995 -6.684 1.00 0.00 C ATOM 1157 O GLU A 74 1.272 1.312 -6.276 1.00 0.00 O ATOM 1158 CB GLU A 74 -0.848 -1.237 -6.167 1.00 0.00 C ATOM 1159 CG GLU A 74 0.459 -1.960 -5.887 1.00 0.00 C ATOM 1160 CD GLU A 74 0.438 -3.402 -6.356 1.00 0.00 C ATOM 1161 OE1 GLU A 74 0.813 -3.652 -7.521 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.049 -4.280 -5.558 1.00 0.00 O ATOM 0 H GLU A 74 -2.905 0.152 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.478 0.332 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.652 -1.732 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.082 -1.323 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.275 -1.433 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.663 -1.933 -4.817 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.274 1.282 -7.909 1.00 0.00 N ATOM 1170 CA LYS A 75 0.567 2.002 -8.858 1.00 0.00 C ATOM 1171 C LYS A 75 0.780 3.442 -8.408 1.00 0.00 C ATOM 1172 O LYS A 75 1.820 4.037 -8.682 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.053 1.980 -10.256 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.108 0.594 -10.881 1.00 0.00 C ATOM 1175 CD LYS A 75 1.282 0.024 -11.130 1.00 0.00 C ATOM 1176 CE LYS A 75 1.909 0.592 -12.396 1.00 0.00 C ATOM 1177 NZ LYS A 75 2.327 2.011 -12.228 1.00 0.00 N ATOM 0 H LYS A 75 -1.195 1.028 -8.267 1.00 0.00 H new ATOM 0 HA LYS A 75 1.534 1.500 -8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.064 2.384 -10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.520 2.640 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.663 -0.077 -10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.654 0.643 -11.823 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.923 0.245 -10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.221 -1.061 -11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.775 -0.010 -12.672 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.196 0.520 -13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.215 2.175 -12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.587 2.638 -12.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.472 2.213 -11.218 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.211 4.001 -7.717 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.121 5.374 -7.231 1.00 0.00 C ATOM 1193 C TYR A 76 1.103 5.551 -6.339 1.00 0.00 C ATOM 1194 O TYR A 76 1.859 6.510 -6.492 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.390 5.757 -6.465 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.418 7.204 -6.022 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.920 8.195 -6.856 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -0.943 7.577 -4.770 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.946 9.518 -6.455 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -0.967 8.898 -4.363 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.469 9.864 -5.209 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.494 11.181 -4.808 1.00 0.00 O ATOM 0 H TYR A 76 -1.082 3.526 -7.482 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.020 6.033 -8.093 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.257 5.562 -7.096 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.483 5.116 -5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.296 7.928 -7.833 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.549 6.823 -4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.338 10.277 -7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.594 9.172 -3.387 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.123 11.255 -3.904 1.00 0.00 H new ATOM 1212 N ILE A 77 1.292 4.622 -5.405 1.00 0.00 N ATOM 1213 CA ILE A 77 2.427 4.679 -4.491 1.00 0.00 C ATOM 1214 C ILE A 77 3.741 4.467 -5.237 1.00 0.00 C ATOM 1215 O ILE A 77 4.708 5.200 -5.032 1.00 0.00 O ATOM 1216 CB ILE A 77 2.315 3.616 -3.378 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.979 3.749 -2.638 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.482 3.744 -2.408 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.761 2.684 -1.582 1.00 0.00 C ATOM 0 H ILE A 77 0.675 3.823 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 77 2.415 5.671 -4.040 1.00 0.00 H new ATOM 0 HB ILE A 77 2.352 2.628 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.930 4.731 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.166 3.702 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.391 2.988 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.419 3.600 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.472 4.736 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.204 2.841 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.777 1.699 -2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.553 2.744 -0.836 1.00 0.00 H new ATOM 1231 N GLU A 78 3.765 3.459 -6.104 1.00 0.00 N ATOM 1232 CA GLU A 78 4.960 3.137 -6.878 1.00 0.00 C ATOM 1233 C GLU A 78 5.439 4.335 -7.694 1.00 0.00 C ATOM 1234 O GLU A 78 6.612 4.702 -7.645 1.00 0.00 O ATOM 1235 CB GLU A 78 4.677 1.960 -7.813 1.00 0.00 C ATOM 1236 CG GLU A 78 5.905 1.477 -8.569 1.00 0.00 C ATOM 1237 CD GLU A 78 5.587 0.362 -9.545 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.362 -0.778 -9.090 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.561 0.630 -10.765 1.00 0.00 O ATOM 0 H GLU A 78 2.968 2.849 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 78 5.748 2.868 -6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.270 1.133 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.910 2.252 -8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.346 2.314 -9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.652 1.129 -7.856 1.00 0.00 H new ATOM 1246 N GLU A 79 4.520 4.940 -8.441 1.00 0.00 N ATOM 1247 CA GLU A 79 4.844 6.089 -9.281 1.00 0.00 C ATOM 1248 C GLU A 79 5.390 7.251 -8.456 1.00 0.00 C ATOM 1249 O GLU A 79 6.354 7.905 -8.855 1.00 0.00 O ATOM 1250 CB GLU A 79 3.608 6.538 -10.062 1.00 0.00 C ATOM 1251 CG GLU A 79 3.090 5.493 -11.038 1.00 0.00 C ATOM 1252 CD GLU A 79 1.797 5.910 -11.709 1.00 0.00 C ATOM 1253 OE1 GLU A 79 1.854 6.723 -12.656 1.00 0.00 O ATOM 1254 OE2 GLU A 79 0.725 5.426 -11.286 1.00 0.00 O ATOM 0 H GLU A 79 3.542 4.653 -8.482 1.00 0.00 H new ATOM 0 HA GLU A 79 5.621 5.780 -9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.815 6.789 -9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.847 7.449 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.847 5.307 -11.800 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.933 4.553 -10.508 1.00 0.00 H new ATOM 1261 N GLN A 80 4.775 7.501 -7.303 1.00 0.00 N ATOM 1262 CA GLN A 80 5.198 8.592 -6.429 1.00 0.00 C ATOM 1263 C GLN A 80 6.658 8.435 -6.017 1.00 0.00 C ATOM 1264 O GLN A 80 7.394 9.417 -5.924 1.00 0.00 O ATOM 1265 CB GLN A 80 4.312 8.651 -5.183 1.00 0.00 C ATOM 1266 CG GLN A 80 2.914 9.191 -5.447 1.00 0.00 C ATOM 1267 CD GLN A 80 2.895 10.692 -5.670 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.861 11.273 -6.162 1.00 0.00 O ATOM 1269 NE2 GLN A 80 1.786 11.328 -5.307 1.00 0.00 N ATOM 0 H GLN A 80 3.982 6.963 -6.952 1.00 0.00 H new ATOM 0 HA GLN A 80 5.096 9.523 -6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.230 7.650 -4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.797 9.276 -4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.497 8.693 -6.322 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.269 8.946 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.008 10.807 -4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.713 12.338 -5.433 1.00 0.00 H new ATOM 1278 N LEU A 81 7.070 7.198 -5.769 1.00 0.00 N ATOM 1279 CA LEU A 81 8.443 6.918 -5.365 1.00 0.00 C ATOM 1280 C LEU A 81 9.389 6.966 -6.562 1.00 0.00 C ATOM 1281 O LEU A 81 10.543 7.380 -6.437 1.00 0.00 O ATOM 1282 CB LEU A 81 8.524 5.550 -4.684 1.00 0.00 C ATOM 1283 CG LEU A 81 7.692 5.412 -3.407 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.731 3.982 -2.894 1.00 0.00 C ATOM 1285 CD2 LEU A 81 8.193 6.373 -2.337 1.00 0.00 C ATOM 0 H LEU A 81 6.474 6.373 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 81 8.752 7.688 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.201 4.788 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.567 5.341 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 81 6.658 5.665 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.133 3.905 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.326 3.312 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.761 3.702 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.590 6.261 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.235 6.150 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.114 7.397 -2.702 1.00 0.00 H new ATOM 1297 N LEU A 82 8.894 6.544 -7.721 1.00 0.00 N ATOM 1298 CA LEU A 82 9.697 6.537 -8.940 1.00 0.00 C ATOM 1299 C LEU A 82 10.046 7.955 -9.380 1.00 0.00 C ATOM 1300 O LEU A 82 11.028 8.168 -10.092 1.00 0.00 O ATOM 1301 CB LEU A 82 8.953 5.812 -10.066 1.00 0.00 C ATOM 1302 CG LEU A 82 8.792 4.301 -9.880 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.920 3.721 -10.984 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.152 3.616 -9.861 1.00 0.00 C ATOM 0 H LEU A 82 7.941 6.202 -7.842 1.00 0.00 H new ATOM 0 HA LEU A 82 10.624 6.007 -8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.963 6.256 -10.169 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.482 5.991 -11.002 1.00 0.00 H new ATOM 0 HG LEU A 82 8.304 4.122 -8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.815 2.646 -10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.936 4.189 -10.954 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.383 3.912 -11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.017 2.543 -9.728 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.667 3.803 -10.803 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.747 4.012 -9.038 1.00 0.00 H new ATOM 1316 N GLN A 83 9.236 8.922 -8.956 1.00 0.00 N ATOM 1317 CA GLN A 83 9.459 10.321 -9.314 1.00 0.00 C ATOM 1318 C GLN A 83 10.861 10.779 -8.920 1.00 0.00 C ATOM 1319 O GLN A 83 11.415 11.696 -9.527 1.00 0.00 O ATOM 1320 CB GLN A 83 8.416 11.221 -8.646 1.00 0.00 C ATOM 1321 CG GLN A 83 7.011 11.046 -9.199 1.00 0.00 C ATOM 1322 CD GLN A 83 6.021 12.034 -8.609 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.061 12.436 -9.266 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.248 12.432 -7.361 1.00 0.00 N ATOM 0 H GLN A 83 8.420 8.763 -8.365 1.00 0.00 H new ATOM 0 HA GLN A 83 9.362 10.401 -10.397 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.404 11.015 -7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.717 12.262 -8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.034 11.164 -10.282 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.669 10.031 -8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.056 12.075 -6.851 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.615 13.095 -6.914 1.00 0.00 H new ATOM 1333 N ARG A 84 11.432 10.139 -7.902 1.00 0.00 N ATOM 1334 CA ARG A 84 12.767 10.495 -7.433 1.00 0.00 C ATOM 1335 C ARG A 84 13.703 9.287 -7.437 1.00 0.00 C ATOM 1336 O ARG A 84 14.913 9.431 -7.260 1.00 0.00 O ATOM 1337 CB ARG A 84 12.689 11.097 -6.027 1.00 0.00 C ATOM 1338 CG ARG A 84 11.884 10.256 -5.049 1.00 0.00 C ATOM 1339 CD ARG A 84 11.736 10.953 -3.706 1.00 0.00 C ATOM 1340 NE ARG A 84 11.110 12.265 -3.837 1.00 0.00 N ATOM 1341 CZ ARG A 84 10.844 13.061 -2.807 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.143 12.677 -1.573 1.00 0.00 N ATOM 1343 NH2 ARG A 84 10.278 14.241 -3.009 1.00 0.00 N ATOM 0 H ARG A 84 10.993 9.375 -7.389 1.00 0.00 H new ATOM 0 HA ARG A 84 13.176 11.236 -8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.699 11.224 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.245 12.090 -6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.897 10.055 -5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.373 9.292 -4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.139 10.331 -3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.717 11.064 -3.245 1.00 0.00 H new ATOM 0 HE ARG A 84 10.863 12.589 -4.772 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.578 11.769 -1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.938 13.290 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.046 14.540 -3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.074 14.851 -2.217 1.00 0.00 H new ATOM 1357 N ILE A 85 13.139 8.100 -7.639 1.00 0.00 N ATOM 1358 CA ILE A 85 13.929 6.872 -7.666 1.00 0.00 C ATOM 1359 C ILE A 85 13.521 5.987 -8.845 1.00 0.00 C ATOM 1360 O ILE A 85 12.661 5.118 -8.704 1.00 0.00 O ATOM 1361 CB ILE A 85 13.769 6.071 -6.358 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.904 6.996 -5.144 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.802 4.954 -6.293 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.586 6.322 -3.825 1.00 0.00 C ATOM 0 H ILE A 85 12.139 7.962 -7.786 1.00 0.00 H new ATOM 0 HA ILE A 85 14.973 7.166 -7.776 1.00 0.00 H new ATOM 0 HB ILE A 85 12.774 5.626 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.921 7.385 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.240 7.851 -5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.677 4.397 -5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.665 4.282 -7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.804 5.382 -6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.703 7.039 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.559 5.957 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.266 5.484 -3.671 1.00 0.00 H new ATOM 1376 N PRO A 86 14.131 6.197 -10.029 1.00 0.00 N ATOM 1377 CA PRO A 86 13.813 5.414 -11.229 1.00 0.00 C ATOM 1378 C PRO A 86 14.353 3.990 -11.161 1.00 0.00 C ATOM 1379 O PRO A 86 14.142 3.192 -12.074 1.00 0.00 O ATOM 1380 CB PRO A 86 14.501 6.193 -12.350 1.00 0.00 C ATOM 1381 CG PRO A 86 15.641 6.881 -11.684 1.00 0.00 C ATOM 1382 CD PRO A 86 15.176 7.206 -10.291 1.00 0.00 C ATOM 0 HA PRO A 86 12.738 5.299 -11.365 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.847 5.527 -13.141 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.820 6.909 -12.811 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.523 6.241 -11.661 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.919 7.787 -12.223 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.990 7.136 -9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.780 8.219 -10.227 1.00 0.00 H new ATOM 1390 N GLU A 87 15.049 3.678 -10.075 1.00 0.00 N ATOM 1391 CA GLU A 87 15.618 2.349 -9.886 1.00 0.00 C ATOM 1392 C GLU A 87 14.911 1.612 -8.752 1.00 0.00 C ATOM 1393 O GLU A 87 15.402 0.598 -8.255 1.00 0.00 O ATOM 1394 CB GLU A 87 17.116 2.451 -9.590 1.00 0.00 C ATOM 1395 CG GLU A 87 17.917 3.084 -10.716 1.00 0.00 C ATOM 1396 CD GLU A 87 19.401 3.149 -10.411 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.842 4.155 -9.816 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.123 2.194 -10.767 1.00 0.00 O ATOM 0 H GLU A 87 15.233 4.328 -9.311 1.00 0.00 H new ATOM 0 HA GLU A 87 15.475 1.784 -10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.259 3.035 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.508 1.453 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.763 2.513 -11.632 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.543 4.091 -10.901 1.00 0.00 H new ATOM 1405 N PHE A 88 13.751 2.126 -8.356 1.00 0.00 N ATOM 1406 CA PHE A 88 12.971 1.524 -7.280 1.00 0.00 C ATOM 1407 C PHE A 88 12.046 0.436 -7.818 1.00 0.00 C ATOM 1408 O PHE A 88 11.546 0.530 -8.939 1.00 0.00 O ATOM 1409 CB PHE A 88 12.150 2.597 -6.562 1.00 0.00 C ATOM 1410 CG PHE A 88 11.439 2.097 -5.336 1.00 0.00 C ATOM 1411 CD1 PHE A 88 12.079 2.078 -4.108 1.00 0.00 C ATOM 1412 CD2 PHE A 88 10.127 1.653 -5.412 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.427 1.625 -2.978 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.470 1.198 -4.285 1.00 0.00 C ATOM 1415 CZ PHE A 88 10.121 1.184 -3.066 1.00 0.00 C ATOM 0 H PHE A 88 13.329 2.960 -8.765 1.00 0.00 H new ATOM 0 HA PHE A 88 13.664 1.067 -6.573 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.810 3.417 -6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.415 3.004 -7.256 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.100 2.422 -4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.614 1.663 -6.362 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.938 1.616 -2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.449 0.854 -4.357 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.609 0.829 -2.184 1.00 0.00 H new ATOM 1425 N ASN A 89 11.821 -0.594 -7.008 1.00 0.00 N ATOM 1426 CA ASN A 89 10.951 -1.699 -7.394 1.00 0.00 C ATOM 1427 C ASN A 89 9.929 -1.983 -6.299 1.00 0.00 C ATOM 1428 O ASN A 89 10.260 -2.556 -5.261 1.00 0.00 O ATOM 1429 CB ASN A 89 11.777 -2.955 -7.685 1.00 0.00 C ATOM 1430 CG ASN A 89 10.922 -4.116 -8.160 1.00 0.00 C ATOM 1431 OD1 ASN A 89 11.241 -5.279 -7.913 1.00 0.00 O ATOM 1432 ND2 ASN A 89 9.831 -3.806 -8.852 1.00 0.00 N ATOM 0 H ASN A 89 12.230 -0.686 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 89 10.418 -1.414 -8.301 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.526 -2.726 -8.443 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.315 -3.249 -6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.221 -4.545 -9.201 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.603 -2.829 -9.034 1.00 0.00 H new ATOM 1439 N MET A 90 8.687 -1.575 -6.540 1.00 0.00 N ATOM 1440 CA MET A 90 7.611 -1.773 -5.574 1.00 0.00 C ATOM 1441 C MET A 90 7.365 -3.256 -5.318 1.00 0.00 C ATOM 1442 O MET A 90 6.930 -3.644 -4.235 1.00 0.00 O ATOM 1443 CB MET A 90 6.326 -1.112 -6.076 1.00 0.00 C ATOM 1444 CG MET A 90 5.224 -1.037 -5.030 1.00 0.00 C ATOM 1445 SD MET A 90 5.704 -0.069 -3.586 1.00 0.00 S ATOM 1446 CE MET A 90 4.168 -0.053 -2.666 1.00 0.00 C ATOM 0 H MET A 90 8.400 -1.104 -7.398 1.00 0.00 H new ATOM 0 HA MET A 90 7.913 -1.310 -4.634 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.557 -0.104 -6.419 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.957 -1.666 -6.939 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.333 -0.598 -5.478 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.958 -2.046 -4.715 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.303 0.510 -1.742 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.389 0.416 -3.267 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.876 -1.076 -2.428 1.00 0.00 H new ATOM 1456 N ALA A 91 7.647 -4.082 -6.320 1.00 0.00 N ATOM 1457 CA ALA A 91 7.449 -5.522 -6.202 1.00 0.00 C ATOM 1458 C ALA A 91 8.395 -6.135 -5.175 1.00 0.00 C ATOM 1459 O ALA A 91 7.959 -6.751 -4.202 1.00 0.00 O ATOM 1460 CB ALA A 91 7.638 -6.188 -7.555 1.00 0.00 C ATOM 0 H ALA A 91 8.013 -3.779 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 91 6.429 -5.693 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.488 -7.263 -7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.914 -5.785 -8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.647 -5.995 -7.918 1.00 0.00 H new ATOM 1466 N ALA A 92 9.695 -5.958 -5.396 1.00 0.00 N ATOM 1467 CA ALA A 92 10.707 -6.498 -4.494 1.00 0.00 C ATOM 1468 C ALA A 92 10.650 -5.824 -3.127 1.00 0.00 C ATOM 1469 O ALA A 92 11.054 -6.407 -2.120 1.00 0.00 O ATOM 1470 CB ALA A 92 12.092 -6.336 -5.100 1.00 0.00 C ATOM 0 H ALA A 92 10.072 -5.444 -6.193 1.00 0.00 H new ATOM 0 HA ALA A 92 10.499 -7.559 -4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.838 -6.743 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.139 -6.871 -6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.294 -5.278 -5.269 1.00 0.00 H new ATOM 1476 N PHE A 93 10.146 -4.596 -3.097 1.00 0.00 N ATOM 1477 CA PHE A 93 10.047 -3.845 -1.851 1.00 0.00 C ATOM 1478 C PHE A 93 8.970 -4.425 -0.939 1.00 0.00 C ATOM 1479 O PHE A 93 9.206 -4.644 0.248 1.00 0.00 O ATOM 1480 CB PHE A 93 9.751 -2.374 -2.140 1.00 0.00 C ATOM 1481 CG PHE A 93 9.740 -1.516 -0.908 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.912 -1.267 -0.209 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.558 -0.960 -0.445 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.903 -0.481 0.926 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.544 -0.172 0.690 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.718 0.068 1.377 1.00 0.00 C ATOM 0 H PHE A 93 9.800 -4.100 -3.919 1.00 0.00 H new ATOM 0 HA PHE A 93 11.005 -3.923 -1.337 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.498 -1.990 -2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.784 -2.296 -2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.842 -1.693 -0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.637 -1.145 -0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.822 -0.295 1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.616 0.256 1.040 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.710 0.683 2.265 1.00 0.00 H new ATOM 1496 N THR A 94 7.789 -4.668 -1.500 1.00 0.00 N ATOM 1497 CA THR A 94 6.678 -5.221 -0.732 1.00 0.00 C ATOM 1498 C THR A 94 7.000 -6.617 -0.209 1.00 0.00 C ATOM 1499 O THR A 94 6.648 -6.966 0.917 1.00 0.00 O ATOM 1500 CB THR A 94 5.388 -5.282 -1.573 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.636 -5.975 -2.803 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.868 -3.883 -1.869 1.00 0.00 C ATOM 0 H THR A 94 7.577 -4.491 -2.482 1.00 0.00 H new ATOM 0 HA THR A 94 6.521 -4.552 0.114 1.00 0.00 H new ATOM 0 HB THR A 94 4.633 -5.820 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.600 -6.120 -2.908 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.957 -3.952 -2.464 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.652 -3.369 -0.932 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.622 -3.324 -2.424 1.00 0.00 H new ATOM 1510 N THR A 95 7.671 -7.415 -1.036 1.00 0.00 N ATOM 1511 CA THR A 95 8.042 -8.775 -0.659 1.00 0.00 C ATOM 1512 C THR A 95 8.997 -8.779 0.530 1.00 0.00 C ATOM 1513 O THR A 95 8.882 -9.609 1.429 1.00 0.00 O ATOM 1514 CB THR A 95 8.700 -9.516 -1.834 1.00 0.00 C ATOM 1515 OG1 THR A 95 9.757 -8.722 -2.385 1.00 0.00 O ATOM 1516 CG2 THR A 95 7.679 -9.834 -2.917 1.00 0.00 C ATOM 0 H THR A 95 7.969 -7.142 -1.973 1.00 0.00 H new ATOM 0 HA THR A 95 7.122 -9.289 -0.380 1.00 0.00 H new ATOM 0 HB THR A 95 9.109 -10.454 -1.458 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.773 -7.847 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.170 -10.358 -3.737 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.893 -10.465 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.242 -8.907 -3.289 1.00 0.00 H new ATOM 1524 N THR A 96 9.948 -7.854 0.516 1.00 0.00 N ATOM 1525 CA THR A 96 10.929 -7.739 1.591 1.00 0.00 C ATOM 1526 C THR A 96 10.328 -7.068 2.826 1.00 0.00 C ATOM 1527 O THR A 96 10.748 -7.330 3.954 1.00 0.00 O ATOM 1528 CB THR A 96 12.162 -6.937 1.132 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.718 -7.528 -0.049 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.221 -6.888 2.224 1.00 0.00 C ATOM 0 H THR A 96 10.062 -7.169 -0.231 1.00 0.00 H new ATOM 0 HA THR A 96 11.234 -8.753 1.851 1.00 0.00 H new ATOM 0 HB THR A 96 11.841 -5.918 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.233 -7.204 -0.836 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.080 -6.316 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.806 -6.411 3.112 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.537 -7.902 2.470 1.00 0.00 H new ATOM 1538 N LEU A 97 9.343 -6.205 2.603 1.00 0.00 N ATOM 1539 CA LEU A 97 8.694 -5.473 3.688 1.00 0.00 C ATOM 1540 C LEU A 97 7.926 -6.404 4.626 1.00 0.00 C ATOM 1541 O LEU A 97 7.998 -6.257 5.847 1.00 0.00 O ATOM 1542 CB LEU A 97 7.750 -4.415 3.108 1.00 0.00 C ATOM 1543 CG LEU A 97 7.511 -3.186 3.992 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.796 -2.100 3.203 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.704 -3.554 5.229 1.00 0.00 C ATOM 0 H LEU A 97 8.974 -5.993 1.676 1.00 0.00 H new ATOM 0 HA LEU A 97 9.474 -4.988 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.152 -4.080 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.788 -4.885 2.902 1.00 0.00 H new ATOM 0 HG LEU A 97 8.480 -2.808 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.633 -1.233 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.406 -1.810 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.836 -2.478 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.548 -2.665 5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.739 -3.960 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.246 -4.301 5.808 1.00 0.00 H new ATOM 1557 N GLN A 98 7.196 -7.363 4.059 1.00 0.00 N ATOM 1558 CA GLN A 98 6.408 -8.298 4.862 1.00 0.00 C ATOM 1559 C GLN A 98 7.263 -8.939 5.952 1.00 0.00 C ATOM 1560 O GLN A 98 6.771 -9.246 7.038 1.00 0.00 O ATOM 1561 CB GLN A 98 5.787 -9.381 3.976 1.00 0.00 C ATOM 1562 CG GLN A 98 6.778 -10.432 3.509 1.00 0.00 C ATOM 1563 CD GLN A 98 6.179 -11.400 2.507 1.00 0.00 C ATOM 1564 OE1 GLN A 98 4.980 -11.680 2.536 1.00 0.00 O ATOM 1565 NE2 GLN A 98 7.013 -11.916 1.612 1.00 0.00 N ATOM 0 H GLN A 98 7.133 -7.513 3.052 1.00 0.00 H new ATOM 0 HA GLN A 98 5.607 -7.734 5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 98 4.984 -9.871 4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.334 -8.909 3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.640 -9.938 3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.144 -10.989 4.372 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.999 -11.656 1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.667 -12.572 0.912 1.00 0.00 H new ATOM 1574 N HIS A 99 8.542 -9.136 5.655 1.00 0.00 N ATOM 1575 CA HIS A 99 9.465 -9.728 6.614 1.00 0.00 C ATOM 1576 C HIS A 99 10.048 -8.650 7.520 1.00 0.00 C ATOM 1577 O HIS A 99 10.192 -8.844 8.729 1.00 0.00 O ATOM 1578 CB HIS A 99 10.591 -10.466 5.886 1.00 0.00 C ATOM 1579 CG HIS A 99 10.111 -11.582 5.008 1.00 0.00 C ATOM 1580 ND1 HIS A 99 9.691 -12.800 5.501 1.00 0.00 N ATOM 1581 CD2 HIS A 99 9.985 -11.659 3.662 1.00 0.00 C ATOM 1582 CE1 HIS A 99 9.328 -13.578 4.495 1.00 0.00 C ATOM 1583 NE2 HIS A 99 9.497 -12.908 3.370 1.00 0.00 N ATOM 0 H HIS A 99 8.963 -8.894 4.758 1.00 0.00 H new ATOM 0 HA HIS A 99 8.916 -10.444 7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.148 -9.752 5.279 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.286 -10.869 6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.224 -10.882 2.951 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.957 -14.589 4.579 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.297 -13.262 2.434 1.00 0.00 H new ATOM 1592 N HIS A 100 10.364 -7.503 6.927 1.00 0.00 N ATOM 1593 CA HIS A 100 10.932 -6.389 7.674 1.00 0.00 C ATOM 1594 C HIS A 100 9.903 -5.817 8.641 1.00 0.00 C ATOM 1595 O HIS A 100 10.209 -4.933 9.442 1.00 0.00 O ATOM 1596 CB HIS A 100 11.418 -5.299 6.715 1.00 0.00 C ATOM 1597 CG HIS A 100 12.455 -4.398 7.310 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.146 -3.248 8.004 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.807 -4.485 7.313 1.00 0.00 C ATOM 1600 CE1 HIS A 100 13.262 -2.666 8.408 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.283 -3.398 8.003 1.00 0.00 N ATOM 0 H HIS A 100 10.236 -7.322 5.931 1.00 0.00 H new ATOM 0 HA HIS A 100 11.783 -6.756 8.248 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.827 -5.769 5.821 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.565 -4.699 6.398 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.400 -5.264 6.857 1.00 0.00 H new ATOM 0 HE1 HIS A 100 13.327 -1.748 8.973 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.267 -3.190 8.175 1.00 0.00 H new ATOM 1610 N LYS A 101 8.679 -6.335 8.561 1.00 0.00 N ATOM 1611 CA LYS A 101 7.594 -5.889 9.426 1.00 0.00 C ATOM 1612 C LYS A 101 7.953 -6.097 10.894 1.00 0.00 C ATOM 1613 O LYS A 101 7.330 -5.518 11.783 1.00 0.00 O ATOM 1614 CB LYS A 101 6.305 -6.645 9.087 1.00 0.00 C ATOM 1615 CG LYS A 101 5.094 -6.183 9.882 1.00 0.00 C ATOM 1616 CD LYS A 101 3.845 -6.967 9.507 1.00 0.00 C ATOM 1617 CE LYS A 101 3.939 -8.420 9.948 1.00 0.00 C ATOM 1618 NZ LYS A 101 3.989 -8.549 11.430 1.00 0.00 N ATOM 0 H LYS A 101 8.415 -7.067 7.902 1.00 0.00 H new ATOM 0 HA LYS A 101 7.436 -4.824 9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.096 -6.528 8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.461 -7.709 9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.291 -6.300 10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.925 -5.121 9.704 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.972 -6.503 9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.698 -6.923 8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.081 -8.972 9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.830 -8.874 9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.814 -9.538 11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.927 -8.258 11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.261 -7.941 11.856 1.00 0.00 H new ATOM 1632 N ASP A 102 8.964 -6.929 11.139 1.00 0.00 N ATOM 1633 CA ASP A 102 9.408 -7.215 12.500 1.00 0.00 C ATOM 1634 C ASP A 102 9.738 -5.928 13.254 1.00 0.00 C ATOM 1635 O ASP A 102 9.649 -5.878 14.481 1.00 0.00 O ATOM 1636 CB ASP A 102 10.633 -8.130 12.477 1.00 0.00 C ATOM 1637 CG ASP A 102 11.822 -7.487 11.793 1.00 0.00 C ATOM 1638 OD1 ASP A 102 11.911 -7.572 10.551 1.00 0.00 O ATOM 1639 OD2 ASP A 102 12.666 -6.898 12.501 1.00 0.00 O ATOM 0 H ASP A 102 9.490 -7.416 10.413 1.00 0.00 H new ATOM 0 HA ASP A 102 8.592 -7.718 13.019 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.905 -8.395 13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.380 -9.058 11.964 1.00 0.00 H new ATOM 1644 N GLU A 103 10.119 -4.889 12.514 1.00 0.00 N ATOM 1645 CA GLU A 103 10.461 -3.606 13.119 1.00 0.00 C ATOM 1646 C GLU A 103 9.515 -2.505 12.644 1.00 0.00 C ATOM 1647 O GLU A 103 9.239 -1.554 13.376 1.00 0.00 O ATOM 1648 CB GLU A 103 11.908 -3.232 12.789 1.00 0.00 C ATOM 1649 CG GLU A 103 12.380 -1.961 13.480 1.00 0.00 C ATOM 1650 CD GLU A 103 13.842 -1.662 13.215 1.00 0.00 C ATOM 1651 OE1 GLU A 103 14.141 -1.036 12.177 1.00 0.00 O ATOM 1652 OE2 GLU A 103 14.688 -2.054 14.046 1.00 0.00 O ATOM 0 H GLU A 103 10.198 -4.911 11.497 1.00 0.00 H new ATOM 0 HA GLU A 103 10.356 -3.705 14.199 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.562 -4.056 13.075 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.006 -3.107 11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.774 -1.121 13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.221 -2.055 14.554 1.00 0.00 H new ATOM 1659 N VAL A 104 9.019 -2.638 11.416 1.00 0.00 N ATOM 1660 CA VAL A 104 8.104 -1.652 10.851 1.00 0.00 C ATOM 1661 C VAL A 104 6.797 -1.603 11.637 1.00 0.00 C ATOM 1662 O VAL A 104 6.327 -2.623 12.141 1.00 0.00 O ATOM 1663 CB VAL A 104 7.788 -1.956 9.371 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.880 -0.886 8.784 1.00 0.00 C ATOM 1665 CG2 VAL A 104 9.072 -2.072 8.565 1.00 0.00 C ATOM 0 H VAL A 104 9.235 -3.418 10.795 1.00 0.00 H new ATOM 0 HA VAL A 104 8.603 -0.685 10.916 1.00 0.00 H new ATOM 0 HB VAL A 104 7.264 -2.911 9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.670 -1.120 7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.945 -0.855 9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.373 0.084 8.846 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.830 -2.287 7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.624 -1.134 8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.684 -2.879 8.969 1.00 0.00 H new ATOM 1675 N ALA A 105 6.216 -0.411 11.734 1.00 0.00 N ATOM 1676 CA ALA A 105 4.963 -0.230 12.458 1.00 0.00 C ATOM 1677 C ALA A 105 3.827 -0.987 11.779 1.00 0.00 C ATOM 1678 O ALA A 105 3.350 -0.590 10.716 1.00 0.00 O ATOM 1679 CB ALA A 105 4.624 1.250 12.566 1.00 0.00 C ATOM 0 H ALA A 105 6.592 0.442 11.321 1.00 0.00 H new ATOM 0 HA ALA A 105 5.088 -0.635 13.462 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.686 1.370 13.109 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.421 1.768 13.100 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.522 1.674 11.567 1.00 0.00 H new ATOM 1685 N GLY A 106 3.400 -2.081 12.402 1.00 0.00 N ATOM 1686 CA GLY A 106 2.325 -2.883 11.848 1.00 0.00 C ATOM 1687 C GLY A 106 1.034 -2.105 11.691 1.00 0.00 C ATOM 1688 O GLY A 106 0.241 -2.385 10.792 1.00 0.00 O ATOM 0 H GLY A 106 3.781 -2.427 13.283 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.631 -3.271 10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.149 -3.743 12.494 1.00 0.00 H new ATOM 1692 N ASP A 107 0.822 -1.130 12.567 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.386 -0.310 12.531 1.00 0.00 C ATOM 1694 C ASP A 107 -0.546 0.393 11.183 1.00 0.00 C ATOM 1695 O ASP A 107 -1.615 0.342 10.573 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.356 0.725 13.659 1.00 0.00 C ATOM 1697 CG ASP A 107 -1.621 1.558 13.715 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -1.709 2.555 12.969 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -2.524 1.215 14.508 1.00 0.00 O ATOM 0 H ASP A 107 1.473 -0.886 13.314 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.241 -0.972 12.670 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.218 0.215 14.612 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.503 1.382 13.522 1.00 0.00 H new ATOM 1704 N ILE A 108 0.517 1.046 10.721 1.00 0.00 N ATOM 1705 CA ILE A 108 0.475 1.761 9.448 1.00 0.00 C ATOM 1706 C ILE A 108 0.399 0.795 8.269 1.00 0.00 C ATOM 1707 O ILE A 108 -0.457 0.933 7.396 1.00 0.00 O ATOM 1708 CB ILE A 108 1.708 2.669 9.272 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.875 3.585 10.488 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.583 3.489 7.996 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.117 4.451 10.433 1.00 0.00 C ATOM 0 H ILE A 108 1.413 1.095 11.205 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.424 2.377 9.466 1.00 0.00 H new ATOM 0 HB ILE A 108 2.595 2.040 9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.998 4.227 10.571 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.909 2.974 11.390 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.461 4.125 7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.509 2.819 7.139 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.689 4.110 8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.167 5.072 11.327 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.001 3.816 10.382 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.077 5.089 9.550 1.00 0.00 H new ATOM 1723 N PHE A 109 1.290 -0.192 8.256 1.00 0.00 N ATOM 1724 CA PHE A 109 1.326 -1.182 7.182 1.00 0.00 C ATOM 1725 C PHE A 109 0.005 -1.940 7.093 1.00 0.00 C ATOM 1726 O PHE A 109 -0.365 -2.434 6.027 1.00 0.00 O ATOM 1727 CB PHE A 109 2.488 -2.161 7.372 1.00 0.00 C ATOM 1728 CG PHE A 109 2.670 -3.105 6.211 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.852 -2.617 4.924 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.653 -4.476 6.405 1.00 0.00 C ATOM 1731 CE1 PHE A 109 3.012 -3.479 3.854 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.813 -5.343 5.340 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.993 -4.844 4.063 1.00 0.00 C ATOM 0 H PHE A 109 1.998 -0.328 8.978 1.00 0.00 H new ATOM 0 HA PHE A 109 1.480 -0.646 6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.409 -1.597 7.520 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.320 -2.741 8.280 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.869 -1.550 4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.513 -4.873 7.400 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.151 -3.086 2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.797 -6.410 5.505 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.119 -5.521 3.231 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.695 -2.038 8.221 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.967 -2.752 8.282 1.00 0.00 C ATOM 1745 C ASP A 110 -2.893 -2.347 7.137 1.00 0.00 C ATOM 1746 O ASP A 110 -3.584 -3.191 6.565 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.659 -2.489 9.622 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.957 -3.259 9.764 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.909 -4.431 10.190 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -5.023 -2.688 9.449 1.00 0.00 O ATOM 0 H ASP A 110 -0.401 -1.630 9.108 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.752 -3.816 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.987 -2.763 10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.860 -1.422 9.721 1.00 0.00 H new ATOM 1755 N MET A 111 -2.911 -1.059 6.800 1.00 0.00 N ATOM 1756 CA MET A 111 -3.753 -0.578 5.711 1.00 0.00 C ATOM 1757 C MET A 111 -3.178 -1.024 4.369 1.00 0.00 C ATOM 1758 O MET A 111 -3.912 -1.389 3.450 1.00 0.00 O ATOM 1759 CB MET A 111 -3.879 0.950 5.749 1.00 0.00 C ATOM 1760 CG MET A 111 -2.642 1.680 5.252 1.00 0.00 C ATOM 1761 SD MET A 111 -2.955 3.414 4.879 1.00 0.00 S ATOM 1762 CE MET A 111 -1.477 3.816 3.951 1.00 0.00 C ATOM 0 H MET A 111 -2.357 -0.337 7.261 1.00 0.00 H new ATOM 0 HA MET A 111 -4.748 -1.005 5.834 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.734 1.250 5.143 1.00 0.00 H new ATOM 0 HB3 MET A 111 -4.088 1.263 6.772 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.858 1.611 6.006 1.00 0.00 H new ATOM 0 HG3 MET A 111 -2.268 1.183 4.357 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.624 4.758 3.422 1.00 0.00 H new ATOM 0 HE2 MET A 111 -0.633 3.912 4.634 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.273 3.024 3.231 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.851 -0.992 4.275 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.153 -1.387 3.059 1.00 0.00 C ATOM 1774 C LEU A 112 -1.351 -2.872 2.778 1.00 0.00 C ATOM 1775 O LEU A 112 -1.229 -3.316 1.638 1.00 0.00 O ATOM 1776 CB LEU A 112 0.337 -1.067 3.176 1.00 0.00 C ATOM 1777 CG LEU A 112 0.682 0.424 3.186 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.141 0.632 3.560 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.387 1.047 1.830 1.00 0.00 C ATOM 0 H LEU A 112 -1.236 -0.694 5.033 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.572 -0.822 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.719 -1.519 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.861 -1.540 2.345 1.00 0.00 H new ATOM 0 HG LEU A 112 0.061 0.916 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.368 1.698 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.324 0.220 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.778 0.127 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.638 2.107 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.983 0.551 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.672 0.930 1.598 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.663 -3.636 3.823 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.874 -5.075 3.690 1.00 0.00 C ATOM 1793 C LEU A 113 -2.844 -5.385 2.556 1.00 0.00 C ATOM 1794 O LEU A 113 -2.791 -6.461 1.965 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.401 -5.669 5.000 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.367 -5.807 6.121 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -2.038 -6.264 7.408 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.270 -6.783 5.722 1.00 0.00 C ATOM 0 H LEU A 113 -1.775 -3.281 4.773 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.911 -5.529 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.220 -5.045 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.819 -6.654 4.791 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.914 -4.830 6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.290 -6.357 8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.789 -5.533 7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.516 -7.230 7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.455 -6.867 6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.708 -7.761 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.230 -6.421 4.824 1.00 0.00 H new ATOM 1810 N THR A 114 -3.732 -4.438 2.261 1.00 0.00 N ATOM 1811 CA THR A 114 -4.718 -4.611 1.196 1.00 0.00 C ATOM 1812 C THR A 114 -4.064 -4.959 -0.144 1.00 0.00 C ATOM 1813 O THR A 114 -4.758 -5.218 -1.127 1.00 0.00 O ATOM 1814 CB THR A 114 -5.576 -3.345 1.014 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.742 -2.221 0.714 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.389 -3.056 2.269 1.00 0.00 C ATOM 0 H THR A 114 -3.789 -3.542 2.745 1.00 0.00 H new ATOM 0 HA THR A 114 -5.353 -5.442 1.504 1.00 0.00 H new ATOM 0 HB THR A 114 -6.262 -3.518 0.185 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.381 -1.850 1.546 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.987 -2.157 2.116 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.048 -3.899 2.478 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.715 -2.905 3.112 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.731 -4.962 -0.184 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.007 -5.287 -1.409 1.00 0.00 C ATOM 1826 C PHE A 115 -2.255 -6.735 -1.825 1.00 0.00 C ATOM 1827 O PHE A 115 -2.331 -7.041 -3.016 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.501 -5.055 -1.226 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.092 -3.605 -1.216 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.681 -2.695 -2.083 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.890 -3.152 -0.344 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.303 -1.366 -2.078 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.269 -1.823 -0.336 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.673 -0.930 -1.204 1.00 0.00 C ATOM 0 H PHE A 115 -2.135 -4.744 0.615 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.377 -4.629 -2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.186 -5.515 -0.290 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.033 -5.565 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.444 -3.030 -2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.363 -3.846 0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.771 -0.669 -2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.031 -1.483 0.349 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.970 0.108 -1.199 1.00 0.00 H new ATOM 1844 N THR A 116 -2.387 -7.621 -0.840 1.00 0.00 N ATOM 1845 CA THR A 116 -2.624 -9.036 -1.114 1.00 0.00 C ATOM 1846 C THR A 116 -3.529 -9.668 -0.060 1.00 0.00 C ATOM 1847 O THR A 116 -3.938 -10.822 -0.194 1.00 0.00 O ATOM 1848 CB THR A 116 -1.305 -9.830 -1.173 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.554 -9.627 0.031 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.470 -9.412 -2.374 1.00 0.00 C ATOM 0 H THR A 116 -2.334 -7.385 0.151 1.00 0.00 H new ATOM 0 HA THR A 116 -3.116 -9.081 -2.086 1.00 0.00 H new ATOM 0 HB THR A 116 -1.551 -10.887 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.282 -10.137 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.455 -9.988 -2.392 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.031 -9.598 -3.290 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.235 -8.350 -2.302 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.838 -8.910 0.987 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.694 -9.404 2.062 1.00 0.00 C ATOM 1860 C ASP A 117 -6.157 -9.057 1.795 1.00 0.00 C ATOM 1861 O ASP A 117 -6.665 -8.044 2.278 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.247 -8.821 3.404 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.854 -9.277 3.795 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -2.736 -10.341 4.440 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -1.882 -8.572 3.454 1.00 0.00 O ATOM 0 H ASP A 117 -3.510 -7.953 1.115 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.603 -10.489 2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.269 -7.733 3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.954 -9.116 4.179 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.827 -9.907 1.020 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.231 -9.694 0.681 1.00 0.00 C ATOM 1872 C PHE A 118 -9.091 -9.617 1.938 1.00 0.00 C ATOM 1873 O PHE A 118 -10.076 -8.880 1.981 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.734 -10.819 -0.228 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.156 -10.638 -0.684 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.443 -9.901 -1.823 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.203 -11.207 0.023 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.749 -9.735 -2.245 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.510 -11.042 -0.395 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.784 -10.307 -1.531 1.00 0.00 C ATOM 0 H PHE A 118 -6.420 -10.750 0.615 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.310 -8.745 0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.087 -10.884 -1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.650 -11.768 0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.638 -9.452 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.995 -11.786 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.960 -9.158 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.317 -11.488 0.167 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.805 -10.180 -1.861 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.714 -10.384 2.957 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.453 -10.399 4.215 1.00 0.00 C ATOM 1892 C LEU A 119 -9.519 -9.001 4.821 1.00 0.00 C ATOM 1893 O LEU A 119 -10.551 -8.591 5.353 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.800 -11.366 5.203 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.577 -11.586 6.503 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.894 -12.294 6.222 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.742 -12.379 7.495 1.00 0.00 C ATOM 0 H LEU A 119 -7.903 -11.002 2.936 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.469 -10.735 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.666 -12.329 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.806 -10.993 5.450 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.798 -10.613 6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.434 -12.443 7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.497 -11.686 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.696 -13.261 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.310 -12.526 8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.490 -13.348 7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.826 -11.832 7.719 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.410 -8.274 4.737 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.341 -6.921 5.276 1.00 0.00 C ATOM 1911 C ALA A 120 -9.065 -5.938 4.364 1.00 0.00 C ATOM 1912 O ALA A 120 -9.552 -4.900 4.812 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.892 -6.502 5.467 1.00 0.00 C ATOM 0 H ALA A 120 -7.547 -8.599 4.301 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.837 -6.913 6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.856 -5.490 5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.404 -7.186 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.376 -6.529 4.507 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.129 -6.276 3.080 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.790 -5.431 2.091 1.00 0.00 C ATOM 1921 C PHE A 121 -11.289 -5.335 2.372 1.00 0.00 C ATOM 1922 O PHE A 121 -11.839 -4.240 2.515 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.553 -6.006 0.692 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.716 -5.011 -0.423 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.854 -3.931 -0.539 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.721 -5.165 -1.365 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -8.993 -3.024 -1.573 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.867 -4.260 -2.399 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.001 -3.188 -2.503 1.00 0.00 C ATOM 0 H PHE A 121 -8.729 -7.133 2.699 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.370 -4.427 2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.546 -6.421 0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.245 -6.832 0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.065 -3.797 0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.398 -6.003 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.314 -2.188 -1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.656 -4.390 -3.124 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.112 -2.479 -3.310 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.942 -6.491 2.467 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.376 -6.546 2.727 1.00 0.00 C ATOM 1941 C LYS A 122 -13.706 -6.009 4.117 1.00 0.00 C ATOM 1942 O LYS A 122 -14.667 -5.259 4.289 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.885 -7.985 2.592 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.393 -8.116 2.743 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.844 -9.565 2.635 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.355 -9.687 2.754 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.808 -11.102 2.669 1.00 0.00 N ATOM 0 H LYS A 122 -11.498 -7.404 2.367 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.874 -5.917 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.591 -8.375 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.398 -8.606 3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.699 -7.710 3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.889 -7.522 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.518 -9.979 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.367 -10.155 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.680 -9.259 3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.829 -9.106 1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.844 -11.141 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.521 -11.504 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.376 -11.652 3.439 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.904 -6.393 5.105 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.119 -5.953 6.479 1.00 0.00 C ATOM 1963 C GLU A 123 -12.953 -4.441 6.611 1.00 0.00 C ATOM 1964 O GLU A 123 -13.585 -3.810 7.459 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.149 -6.666 7.422 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.344 -6.305 8.887 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.729 -6.655 9.394 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -14.631 -5.796 9.298 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -13.913 -7.787 9.889 1.00 0.00 O ATOM 0 H GLU A 123 -12.100 -7.008 4.980 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.142 -6.209 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.267 -7.743 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.127 -6.423 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.599 -6.826 9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.171 -5.237 9.020 1.00 0.00 H new ATOM 1976 N MET A 124 -12.101 -3.863 5.769 1.00 0.00 N ATOM 1977 CA MET A 124 -11.849 -2.425 5.808 1.00 0.00 C ATOM 1978 C MET A 124 -13.066 -1.632 5.340 1.00 0.00 C ATOM 1979 O MET A 124 -13.479 -0.673 5.993 1.00 0.00 O ATOM 1980 CB MET A 124 -10.637 -2.071 4.944 1.00 0.00 C ATOM 1981 CG MET A 124 -10.238 -0.606 5.028 1.00 0.00 C ATOM 1982 SD MET A 124 -8.813 -0.209 3.993 1.00 0.00 S ATOM 1983 CE MET A 124 -9.454 -0.596 2.365 1.00 0.00 C ATOM 0 H MET A 124 -11.575 -4.366 5.054 1.00 0.00 H new ATOM 0 HA MET A 124 -11.644 -2.155 6.844 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.791 -2.688 5.249 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.856 -2.321 3.906 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.083 0.014 4.728 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.010 -0.355 6.064 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.846 -0.102 1.608 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.423 -1.674 2.209 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.484 -0.248 2.287 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.642 -2.035 4.210 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.807 -1.344 3.664 1.00 0.00 C ATOM 1995 C PHE A 125 -16.051 -1.579 4.517 1.00 0.00 C ATOM 1996 O PHE A 125 -16.842 -0.661 4.736 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.066 -1.784 2.223 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.031 -1.281 1.260 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.974 0.063 0.924 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.115 -2.149 0.692 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.019 0.530 0.041 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.158 -1.687 -0.191 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.111 -0.346 -0.518 1.00 0.00 C ATOM 0 H PHE A 125 -13.324 -2.831 3.658 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.589 -0.276 3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.094 -2.873 2.181 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.048 -1.428 1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.684 0.752 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.149 -3.199 0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.983 1.580 -0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -11.447 -2.374 -0.625 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.365 0.016 -1.210 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.221 -2.807 4.998 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.374 -3.144 5.828 1.00 0.00 C ATOM 2015 C LEU A 126 -17.401 -2.290 7.092 1.00 0.00 C ATOM 2016 O LEU A 126 -18.463 -1.841 7.525 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.357 -4.630 6.197 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.242 -5.526 5.324 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.757 -5.520 3.882 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.271 -6.944 5.874 1.00 0.00 C ATOM 0 H LEU A 126 -15.579 -3.582 4.829 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.275 -2.937 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.330 -4.991 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.673 -4.734 7.235 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.257 -5.129 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.399 -6.162 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.791 -4.503 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.733 -5.890 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.904 -7.567 5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.260 -7.350 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.670 -6.933 6.888 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.228 -2.066 7.676 1.00 0.00 N ATOM 2033 CA ASP A 127 -16.117 -1.259 8.887 1.00 0.00 C ATOM 2034 C ASP A 127 -16.472 0.197 8.599 1.00 0.00 C ATOM 2035 O ASP A 127 -17.157 0.849 9.390 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.699 -1.348 9.457 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.534 -0.540 10.728 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.784 -1.092 11.821 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -14.150 0.644 10.634 1.00 0.00 O ATOM 0 H ASP A 127 -15.341 -2.432 7.331 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.820 -1.650 9.623 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.457 -2.391 9.659 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.988 -0.995 8.710 1.00 0.00 H new ATOM 2044 N TYR A 128 -16.001 0.699 7.462 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.270 2.075 7.058 1.00 0.00 C ATOM 2046 C TYR A 128 -17.773 2.315 6.947 1.00 0.00 C ATOM 2047 O TYR A 128 -18.267 3.397 7.265 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.585 2.372 5.721 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.781 3.789 5.227 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.980 4.824 5.693 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.763 4.089 4.291 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.151 6.117 5.238 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.940 5.380 3.832 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.132 6.391 4.309 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.305 7.678 3.854 1.00 0.00 O ATOM 0 H TYR A 128 -15.429 0.172 6.802 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.869 2.747 7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.517 2.178 5.821 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.965 1.681 4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.212 4.614 6.422 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.398 3.300 3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.519 6.910 5.609 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.707 5.597 3.103 1.00 0.00 H new ATOM 0 HH TYR A 128 -17.037 7.699 3.202 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.491 1.293 6.493 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.938 1.376 6.337 1.00 0.00 C ATOM 2067 C ARG A 129 -20.634 1.390 7.697 1.00 0.00 C ATOM 2068 O ARG A 129 -21.645 2.068 7.881 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.441 0.195 5.503 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.945 0.186 5.291 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.392 -1.065 4.553 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.838 -1.101 4.361 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.544 -2.224 4.278 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.939 -3.401 4.380 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.856 -2.171 4.095 1.00 0.00 N ATOM 0 H ARG A 129 -18.091 0.393 6.226 1.00 0.00 H new ATOM 0 HA ARG A 129 -20.175 2.307 5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.947 0.213 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.148 -0.734 5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.450 0.242 6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.240 1.070 4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.897 -1.110 3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -22.079 -1.947 5.112 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.335 -0.214 4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.930 -3.445 4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.483 -4.261 4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.324 -1.268 4.018 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.397 -3.033 4.031 1.00 0.00 H new ATOM 2089 N ALA A 130 -20.083 0.635 8.644 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.648 0.552 9.986 1.00 0.00 C ATOM 2091 C ALA A 130 -20.631 1.908 10.686 1.00 0.00 C ATOM 2092 O ALA A 130 -21.562 2.249 11.416 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.887 -0.475 10.812 1.00 0.00 C ATOM 0 H ALA A 130 -19.244 0.071 8.505 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.688 0.239 9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.317 -0.529 11.812 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.958 -1.452 10.333 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.840 -0.181 10.883 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.569 2.675 10.463 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.435 3.991 11.079 1.00 0.00 C ATOM 2101 C GLU A 131 -20.520 4.943 10.582 1.00 0.00 C ATOM 2102 O GLU A 131 -20.883 5.898 11.269 1.00 0.00 O ATOM 2103 CB GLU A 131 -18.051 4.576 10.786 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.907 3.728 11.316 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.548 4.323 11.007 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.999 4.021 9.926 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.032 5.092 11.844 1.00 0.00 O ATOM 0 H GLU A 131 -18.789 2.409 9.861 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.551 3.872 12.156 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.936 4.693 9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.987 5.572 11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -17.013 3.615 12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.969 2.730 10.883 1.00 0.00 H new