USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=22 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 -141:sc= -0.129 (180deg=-0.806) USER MOD Set 1.2: A 124 MET CE :methyl 158:sc= -0.205 (180deg=-0.757) USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 114 THR OG1 : rot -82:sc= 0.664 USER MOD Set 3.1: A 59 LYS NZ :NH3+ -172:sc= -0.17 (180deg=-0.452) USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 58 ASN : amide:sc= -1.09 K(o=-1.2,f=0.025) USER MOD Set 4.2: A 122 LYS NZ :NH3+ -110:sc= -0.0815 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 177:sc= 0 (180deg=-0.0106) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 110:sc= -0.401 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 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0544 K(o=-0.054,f=-0.72) USER MOD Single : A 71 SER OG : rot 83:sc= 0.0845 USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= -0.0304 (180deg=-0.263) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 80 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.12) USER MOD Single : A 83 GLN : amide:sc= -0.83 K(o=-0.83,f=-4.9!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -18:sc= 0.718 USER MOD Single : A 95 THR OG1 : rot -20:sc= 0.236 USER MOD Single : A 96 THR OG1 : rot 86:sc= 0.114 USER MOD Single : A 98 GLN : amide:sc= -1.05 K(o=-1.1,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 100 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.0006) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -165:sc= -0.772 (180deg=-1.18) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.999 1.985 5.768 1.00 0.00 N ATOM 243 CA ALA A 19 19.274 3.243 5.925 1.00 0.00 C ATOM 244 C ALA A 19 18.289 3.469 4.782 1.00 0.00 C ATOM 245 O ALA A 19 17.315 4.209 4.930 1.00 0.00 O ATOM 246 CB ALA A 19 20.253 4.405 6.011 1.00 0.00 C ATOM 0 HA ALA A 19 18.702 3.185 6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.701 5.338 6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.912 4.263 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.848 4.447 5.099 1.00 0.00 H new ATOM 252 N GLU A 20 18.548 2.831 3.643 1.00 0.00 N ATOM 253 CA GLU A 20 17.685 2.968 2.475 1.00 0.00 C ATOM 254 C GLU A 20 16.244 2.596 2.810 1.00 0.00 C ATOM 255 O GLU A 20 15.311 3.322 2.468 1.00 0.00 O ATOM 256 CB GLU A 20 18.198 2.089 1.332 1.00 0.00 C ATOM 257 CG GLU A 20 17.394 2.224 0.049 1.00 0.00 C ATOM 258 CD GLU A 20 17.413 3.634 -0.508 1.00 0.00 C ATOM 259 OE1 GLU A 20 18.332 3.949 -1.294 1.00 0.00 O ATOM 260 OE2 GLU A 20 16.509 4.424 -0.161 1.00 0.00 O ATOM 0 H GLU A 20 19.349 2.214 3.505 1.00 0.00 H new ATOM 0 HA GLU A 20 17.705 4.012 2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.238 2.345 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.183 1.047 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.792 1.537 -0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.363 1.926 0.238 1.00 0.00 H new ATOM 267 N PHE A 21 16.069 1.459 3.479 1.00 0.00 N ATOM 268 CA PHE A 21 14.738 0.994 3.863 1.00 0.00 C ATOM 269 C PHE A 21 14.001 2.057 4.675 1.00 0.00 C ATOM 270 O PHE A 21 12.852 2.388 4.379 1.00 0.00 O ATOM 271 CB PHE A 21 14.838 -0.303 4.669 1.00 0.00 C ATOM 272 CG PHE A 21 13.507 -0.836 5.123 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.661 -1.482 4.233 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.102 -0.690 6.440 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.437 -1.972 4.651 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.880 -1.178 6.862 1.00 0.00 C ATOM 277 CZ PHE A 21 11.046 -1.819 5.967 1.00 0.00 C ATOM 0 H PHE A 21 16.830 0.844 3.766 1.00 0.00 H new ATOM 0 HA PHE A 21 14.172 0.803 2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.335 -1.060 4.062 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.467 -0.130 5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.961 -1.604 3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.749 -0.189 7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.787 -2.474 3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.577 -1.058 7.892 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.090 -2.200 6.295 1.00 0.00 H new ATOM 287 N ASP A 22 14.668 2.589 5.695 1.00 0.00 N ATOM 288 CA ASP A 22 14.073 3.614 6.546 1.00 0.00 C ATOM 289 C ASP A 22 13.640 4.822 5.721 1.00 0.00 C ATOM 290 O ASP A 22 12.615 5.444 6.003 1.00 0.00 O ATOM 291 CB ASP A 22 15.064 4.048 7.630 1.00 0.00 C ATOM 292 CG ASP A 22 15.478 2.899 8.529 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.709 2.563 9.453 1.00 0.00 O ATOM 294 OD2 ASP A 22 16.572 2.338 8.310 1.00 0.00 O ATOM 0 H ASP A 22 15.620 2.328 5.952 1.00 0.00 H new ATOM 0 HA ASP A 22 13.190 3.187 7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.950 4.474 7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.614 4.835 8.235 1.00 0.00 H new ATOM 299 N ALA A 23 14.427 5.147 4.700 1.00 0.00 N ATOM 300 CA ALA A 23 14.125 6.277 3.830 1.00 0.00 C ATOM 301 C ALA A 23 12.797 6.069 3.109 1.00 0.00 C ATOM 302 O ALA A 23 11.969 6.978 3.037 1.00 0.00 O ATOM 303 CB ALA A 23 15.246 6.482 2.822 1.00 0.00 C ATOM 0 H ALA A 23 15.279 4.643 4.455 1.00 0.00 H new ATOM 0 HA ALA A 23 14.041 7.170 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.007 7.329 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.179 6.679 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.357 5.585 2.213 1.00 0.00 H new ATOM 309 N VAL A 24 12.602 4.865 2.580 1.00 0.00 N ATOM 310 CA VAL A 24 11.377 4.529 1.863 1.00 0.00 C ATOM 311 C VAL A 24 10.152 4.695 2.756 1.00 0.00 C ATOM 312 O VAL A 24 9.140 5.259 2.337 1.00 0.00 O ATOM 313 CB VAL A 24 11.419 3.084 1.329 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.161 2.767 0.533 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.662 2.865 0.481 1.00 0.00 C ATOM 0 H VAL A 24 13.279 4.104 2.635 1.00 0.00 H new ATOM 0 HA VAL A 24 11.304 5.218 1.022 1.00 0.00 H new ATOM 0 HB VAL A 24 11.461 2.405 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.212 1.742 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.287 2.880 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.082 3.452 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.675 1.839 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.652 3.554 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.551 3.045 1.085 1.00 0.00 H new ATOM 325 N VAL A 25 10.250 4.198 3.986 1.00 0.00 N ATOM 326 CA VAL A 25 9.150 4.293 4.938 1.00 0.00 C ATOM 327 C VAL A 25 8.747 5.747 5.153 1.00 0.00 C ATOM 328 O VAL A 25 7.564 6.064 5.274 1.00 0.00 O ATOM 329 CB VAL A 25 9.522 3.667 6.296 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.337 3.704 7.250 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.017 2.241 6.107 1.00 0.00 C ATOM 0 H VAL A 25 11.080 3.726 4.346 1.00 0.00 H new ATOM 0 HA VAL A 25 8.312 3.740 4.515 1.00 0.00 H new ATOM 0 HB VAL A 25 10.328 4.255 6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.622 3.257 8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.032 4.738 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.507 3.144 6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.275 1.814 7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.233 1.642 5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.898 2.244 5.465 1.00 0.00 H new ATOM 341 N GLY A 26 9.743 6.626 5.202 1.00 0.00 N ATOM 342 CA GLY A 26 9.477 8.038 5.397 1.00 0.00 C ATOM 343 C GLY A 26 8.653 8.628 4.271 1.00 0.00 C ATOM 344 O GLY A 26 7.677 9.339 4.513 1.00 0.00 O ATOM 0 H GLY A 26 10.730 6.385 5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.952 8.180 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.422 8.576 5.474 1.00 0.00 H new ATOM 348 N TYR A 27 9.044 8.328 3.036 1.00 0.00 N ATOM 349 CA TYR A 27 8.338 8.834 1.864 1.00 0.00 C ATOM 350 C TYR A 27 6.881 8.385 1.868 1.00 0.00 C ATOM 351 O TYR A 27 6.002 9.101 1.394 1.00 0.00 O ATOM 352 CB TYR A 27 9.024 8.364 0.579 1.00 0.00 C ATOM 353 CG TYR A 27 10.439 8.874 0.420 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.719 10.234 0.479 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.495 7.997 0.205 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.010 10.704 0.331 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.788 8.459 0.057 1.00 0.00 C ATOM 358 CZ TYR A 27 13.041 9.813 0.122 1.00 0.00 C ATOM 359 OH TYR A 27 14.326 10.278 -0.025 1.00 0.00 O ATOM 0 H TYR A 27 9.847 7.736 2.821 1.00 0.00 H new ATOM 0 HA TYR A 27 8.365 9.923 1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.037 7.274 0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.433 8.689 -0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.914 10.935 0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.301 6.936 0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.210 11.764 0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.597 7.763 -0.109 1.00 0.00 H new ATOM 0 HH TYR A 27 14.934 9.522 -0.164 1.00 0.00 H new ATOM 369 N LEU A 28 6.632 7.195 2.406 1.00 0.00 N ATOM 370 CA LEU A 28 5.279 6.655 2.468 1.00 0.00 C ATOM 371 C LEU A 28 4.409 7.474 3.415 1.00 0.00 C ATOM 372 O LEU A 28 3.282 7.836 3.078 1.00 0.00 O ATOM 373 CB LEU A 28 5.304 5.190 2.913 1.00 0.00 C ATOM 374 CG LEU A 28 5.977 4.223 1.936 1.00 0.00 C ATOM 375 CD1 LEU A 28 5.988 2.812 2.503 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.270 4.247 0.587 1.00 0.00 C ATOM 0 H LEU A 28 7.348 6.588 2.804 1.00 0.00 H new ATOM 0 HA LEU A 28 4.849 6.712 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.817 5.127 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.278 4.860 3.078 1.00 0.00 H new ATOM 0 HG LEU A 28 7.008 4.545 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.470 2.139 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.538 2.802 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.964 2.482 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.763 3.553 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.229 3.951 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.312 5.254 0.172 1.00 0.00 H new ATOM 388 N GLU A 29 4.941 7.765 4.600 1.00 0.00 N ATOM 389 CA GLU A 29 4.213 8.540 5.599 1.00 0.00 C ATOM 390 C GLU A 29 3.739 9.872 5.022 1.00 0.00 C ATOM 391 O GLU A 29 2.582 10.258 5.200 1.00 0.00 O ATOM 392 CB GLU A 29 5.093 8.787 6.826 1.00 0.00 C ATOM 393 CG GLU A 29 5.544 7.509 7.515 1.00 0.00 C ATOM 394 CD GLU A 29 6.406 7.776 8.734 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.642 7.861 8.579 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.845 7.900 9.843 1.00 0.00 O ATOM 0 H GLU A 29 5.875 7.475 4.891 1.00 0.00 H new ATOM 0 HA GLU A 29 3.337 7.964 5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.971 9.357 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.544 9.401 7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.668 6.933 7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.102 6.897 6.807 1.00 0.00 H new ATOM 403 N ASP A 30 4.637 10.569 4.330 1.00 0.00 N ATOM 404 CA ASP A 30 4.303 11.855 3.724 1.00 0.00 C ATOM 405 C ASP A 30 3.100 11.722 2.795 1.00 0.00 C ATOM 406 O ASP A 30 2.286 12.639 2.684 1.00 0.00 O ATOM 407 CB ASP A 30 5.501 12.409 2.949 1.00 0.00 C ATOM 408 CG ASP A 30 6.693 12.687 3.845 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.674 13.713 4.556 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.645 11.879 3.834 1.00 0.00 O ATOM 0 H ASP A 30 5.599 10.266 4.175 1.00 0.00 H new ATOM 0 HA ASP A 30 4.048 12.548 4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.790 11.697 2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.208 13.329 2.443 1.00 0.00 H new ATOM 415 N ILE A 31 2.991 10.572 2.133 1.00 0.00 N ATOM 416 CA ILE A 31 1.885 10.318 1.217 1.00 0.00 C ATOM 417 C ILE A 31 0.594 10.047 1.981 1.00 0.00 C ATOM 418 O ILE A 31 -0.476 10.515 1.594 1.00 0.00 O ATOM 419 CB ILE A 31 2.183 9.119 0.294 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.488 9.348 -0.470 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.029 8.894 -0.673 1.00 0.00 C ATOM 422 CD1 ILE A 31 3.949 8.139 -1.256 1.00 0.00 C ATOM 0 H ILE A 31 3.656 9.803 2.215 1.00 0.00 H new ATOM 0 HA ILE A 31 1.765 11.214 0.608 1.00 0.00 H new ATOM 0 HB ILE A 31 2.295 8.226 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.357 10.187 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.268 9.631 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.255 8.044 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.118 8.691 -0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.887 9.785 -1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.880 8.374 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.112 7.303 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.187 7.868 -1.987 1.00 0.00 H new ATOM 434 N ILE A 32 0.703 9.290 3.068 1.00 0.00 N ATOM 435 CA ILE A 32 -0.455 8.955 3.889 1.00 0.00 C ATOM 436 C ILE A 32 -1.199 10.213 4.326 1.00 0.00 C ATOM 437 O ILE A 32 -2.429 10.239 4.356 1.00 0.00 O ATOM 438 CB ILE A 32 -0.045 8.150 5.139 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.662 6.855 4.729 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.265 7.844 5.999 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.257 6.092 5.893 1.00 0.00 C ATOM 0 H ILE A 32 1.583 8.896 3.401 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.114 8.342 3.274 1.00 0.00 H new ATOM 0 HB ILE A 32 0.648 8.751 5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.049 6.212 4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.454 7.093 4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.958 7.275 6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.730 8.777 6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.981 7.260 5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.741 5.187 5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.993 6.717 6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.467 5.822 6.593 1.00 0.00 H new ATOM 453 N MET A 33 -0.446 11.256 4.661 1.00 0.00 N ATOM 454 CA MET A 33 -1.039 12.514 5.100 1.00 0.00 C ATOM 455 C MET A 33 -1.160 13.499 3.940 1.00 0.00 C ATOM 456 O MET A 33 -1.728 14.581 4.091 1.00 0.00 O ATOM 457 CB MET A 33 -0.209 13.129 6.224 1.00 0.00 C ATOM 458 CG MET A 33 1.112 13.686 5.743 1.00 0.00 C ATOM 459 SD MET A 33 1.864 14.826 6.920 1.00 0.00 S ATOM 460 CE MET A 33 3.318 15.340 6.009 1.00 0.00 C ATOM 0 H MET A 33 0.574 11.255 4.637 1.00 0.00 H new ATOM 0 HA MET A 33 -2.041 12.301 5.473 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.782 13.926 6.698 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.023 12.373 6.987 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.800 12.862 5.553 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.960 14.200 4.794 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.862 16.089 6.584 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.962 14.478 5.835 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.016 15.766 5.052 1.00 0.00 H new ATOM 470 N ASP A 34 -0.621 13.120 2.787 1.00 0.00 N ATOM 471 CA ASP A 34 -0.670 13.971 1.602 1.00 0.00 C ATOM 472 C ASP A 34 -2.114 14.231 1.180 1.00 0.00 C ATOM 473 O ASP A 34 -2.868 13.298 0.907 1.00 0.00 O ATOM 474 CB ASP A 34 0.107 13.325 0.453 1.00 0.00 C ATOM 475 CG ASP A 34 0.167 14.208 -0.777 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.934 15.194 -0.764 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.550 13.912 -1.753 1.00 0.00 O ATOM 0 H ASP A 34 -0.145 12.229 2.647 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.207 14.926 1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.121 13.101 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.360 12.375 0.192 1.00 0.00 H new ATOM 482 N ASP A 35 -2.486 15.507 1.127 1.00 0.00 N ATOM 483 CA ASP A 35 -3.841 15.904 0.749 1.00 0.00 C ATOM 484 C ASP A 35 -4.272 15.259 -0.567 1.00 0.00 C ATOM 485 O ASP A 35 -5.366 14.703 -0.662 1.00 0.00 O ATOM 486 CB ASP A 35 -3.931 17.426 0.634 1.00 0.00 C ATOM 487 CG ASP A 35 -5.321 17.895 0.249 1.00 0.00 C ATOM 488 OD1 ASP A 35 -6.150 18.105 1.160 1.00 0.00 O ATOM 489 OD2 ASP A 35 -5.579 18.052 -0.962 1.00 0.00 O ATOM 0 H ASP A 35 -1.866 16.288 1.342 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.517 15.556 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.649 17.877 1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.214 17.775 -0.109 1.00 0.00 H new ATOM 494 N GLU A 36 -3.411 15.342 -1.578 1.00 0.00 N ATOM 495 CA GLU A 36 -3.713 14.769 -2.887 1.00 0.00 C ATOM 496 C GLU A 36 -4.014 13.277 -2.773 1.00 0.00 C ATOM 497 O GLU A 36 -4.852 12.745 -3.501 1.00 0.00 O ATOM 498 CB GLU A 36 -2.549 14.999 -3.853 1.00 0.00 C ATOM 499 CG GLU A 36 -2.833 14.539 -5.275 1.00 0.00 C ATOM 500 CD GLU A 36 -4.007 15.266 -5.901 1.00 0.00 C ATOM 501 OE1 GLU A 36 -3.793 16.350 -6.483 1.00 0.00 O ATOM 502 OE2 GLU A 36 -5.142 14.750 -5.810 1.00 0.00 O ATOM 0 H GLU A 36 -2.501 15.799 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.599 15.269 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.304 16.061 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.670 14.474 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.945 14.696 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.034 13.468 -5.273 1.00 0.00 H new ATOM 509 N PHE A 37 -3.326 12.608 -1.853 1.00 0.00 N ATOM 510 CA PHE A 37 -3.525 11.179 -1.639 1.00 0.00 C ATOM 511 C PHE A 37 -4.876 10.918 -0.979 1.00 0.00 C ATOM 512 O PHE A 37 -5.523 9.905 -1.246 1.00 0.00 O ATOM 513 CB PHE A 37 -2.398 10.608 -0.777 1.00 0.00 C ATOM 514 CG PHE A 37 -2.633 9.193 -0.327 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.465 8.134 -1.207 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.024 8.922 0.975 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.682 6.833 -0.795 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.244 7.622 1.392 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.072 6.576 0.505 1.00 0.00 C ATOM 0 H PHE A 37 -2.626 13.032 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.511 10.682 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.466 10.650 -1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.268 11.241 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.161 8.328 -2.225 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.158 9.736 1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.547 6.017 -1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.550 7.424 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.242 5.560 0.828 1.00 0.00 H new ATOM 529 N GLN A 38 -5.295 11.838 -0.117 1.00 0.00 N ATOM 530 CA GLN A 38 -6.568 11.709 0.580 1.00 0.00 C ATOM 531 C GLN A 38 -7.730 11.764 -0.406 1.00 0.00 C ATOM 532 O GLN A 38 -8.675 10.982 -0.312 1.00 0.00 O ATOM 533 CB GLN A 38 -6.719 12.817 1.623 1.00 0.00 C ATOM 534 CG GLN A 38 -5.584 12.862 2.632 1.00 0.00 C ATOM 535 CD GLN A 38 -5.735 13.987 3.637 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.313 15.032 3.336 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.213 13.778 4.840 1.00 0.00 N ATOM 0 H GLN A 38 -4.771 12.682 0.115 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.583 10.743 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.779 13.779 1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.661 12.679 2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.538 11.911 3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.638 12.978 2.103 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.743 12.897 5.046 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.282 14.499 5.558 1.00 0.00 H new ATOM 546 N LEU A 39 -7.648 12.693 -1.353 1.00 0.00 N ATOM 547 CA LEU A 39 -8.689 12.858 -2.360 1.00 0.00 C ATOM 548 C LEU A 39 -8.758 11.638 -3.274 1.00 0.00 C ATOM 549 O LEU A 39 -9.841 11.144 -3.582 1.00 0.00 O ATOM 550 CB LEU A 39 -8.427 14.130 -3.178 1.00 0.00 C ATOM 551 CG LEU A 39 -9.561 14.585 -4.110 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.587 13.754 -5.384 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.907 14.518 -3.399 1.00 0.00 C ATOM 0 H LEU A 39 -6.869 13.345 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.650 12.954 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.206 14.943 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.532 13.972 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.371 15.622 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.399 14.097 -6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.638 13.864 -5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.743 12.705 -5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.694 14.845 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.102 13.493 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.889 15.169 -2.525 1.00 0.00 H new ATOM 565 N LEU A 40 -7.595 11.158 -3.702 1.00 0.00 N ATOM 566 CA LEU A 40 -7.514 9.997 -4.584 1.00 0.00 C ATOM 567 C LEU A 40 -8.177 8.775 -3.950 1.00 0.00 C ATOM 568 O LEU A 40 -9.049 8.141 -4.551 1.00 0.00 O ATOM 569 CB LEU A 40 -6.044 9.696 -4.909 1.00 0.00 C ATOM 570 CG LEU A 40 -5.781 8.534 -5.879 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.709 7.211 -5.134 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.841 8.476 -6.971 1.00 0.00 C ATOM 0 H LEU A 40 -6.690 11.557 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.049 10.226 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.595 10.597 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.524 9.485 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.817 8.713 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.522 6.404 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.900 7.248 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.653 7.031 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.627 7.644 -7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.822 8.335 -6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.833 9.408 -7.536 1.00 0.00 H new ATOM 584 N GLN A 41 -7.767 8.461 -2.726 1.00 0.00 N ATOM 585 CA GLN A 41 -8.297 7.308 -2.008 1.00 0.00 C ATOM 586 C GLN A 41 -9.797 7.436 -1.759 1.00 0.00 C ATOM 587 O GLN A 41 -10.568 6.550 -2.121 1.00 0.00 O ATOM 588 CB GLN A 41 -7.566 7.141 -0.674 1.00 0.00 C ATOM 589 CG GLN A 41 -8.007 5.919 0.114 1.00 0.00 C ATOM 590 CD GLN A 41 -7.286 5.792 1.441 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.231 5.164 1.531 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.853 6.391 2.483 1.00 0.00 N ATOM 0 H GLN A 41 -7.066 8.992 -2.209 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.134 6.429 -2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.495 7.074 -0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.728 8.032 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.081 5.974 0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.827 5.023 -0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.728 6.901 2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.413 6.340 3.402 1.00 0.00 H new ATOM 601 N ARG A 42 -10.206 8.542 -1.151 1.00 0.00 N ATOM 602 CA ARG A 42 -11.615 8.770 -0.840 1.00 0.00 C ATOM 603 C ARG A 42 -12.482 8.812 -2.097 1.00 0.00 C ATOM 604 O ARG A 42 -13.646 8.411 -2.067 1.00 0.00 O ATOM 605 CB ARG A 42 -11.778 10.068 -0.050 1.00 0.00 C ATOM 606 CG ARG A 42 -11.102 10.039 1.311 1.00 0.00 C ATOM 607 CD ARG A 42 -11.325 11.335 2.072 1.00 0.00 C ATOM 608 NE ARG A 42 -12.743 11.596 2.302 1.00 0.00 N ATOM 609 CZ ARG A 42 -13.210 12.735 2.805 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.373 13.710 3.133 1.00 0.00 N ATOM 611 NH2 ARG A 42 -14.514 12.897 2.981 1.00 0.00 N ATOM 0 H ARG A 42 -9.583 9.297 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.954 7.929 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.368 10.893 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.840 10.271 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.490 9.203 1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.033 9.870 1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.805 11.288 3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.890 12.163 1.513 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.412 10.864 2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.369 13.587 3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.733 14.583 3.519 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.159 12.148 2.731 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.872 13.771 3.367 1.00 0.00 H new ATOM 625 N ASN A 43 -11.916 9.298 -3.197 1.00 0.00 N ATOM 626 CA ASN A 43 -12.658 9.398 -4.452 1.00 0.00 C ATOM 627 C ASN A 43 -13.099 8.026 -4.952 1.00 0.00 C ATOM 628 O ASN A 43 -14.267 7.827 -5.290 1.00 0.00 O ATOM 629 CB ASN A 43 -11.810 10.088 -5.522 1.00 0.00 C ATOM 630 CG ASN A 43 -12.536 10.205 -6.847 1.00 0.00 C ATOM 631 OD1 ASN A 43 -12.489 9.295 -7.676 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.211 11.329 -7.057 1.00 0.00 N ATOM 0 H ASN A 43 -10.952 9.627 -3.247 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.550 9.994 -4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.531 11.083 -5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.885 9.529 -5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.717 11.464 -7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.223 12.057 -6.343 1.00 0.00 H new ATOM 639 N PHE A 44 -12.165 7.081 -5.002 1.00 0.00 N ATOM 640 CA PHE A 44 -12.474 5.734 -5.472 1.00 0.00 C ATOM 641 C PHE A 44 -13.159 4.900 -4.390 1.00 0.00 C ATOM 642 O PHE A 44 -14.032 4.086 -4.688 1.00 0.00 O ATOM 643 CB PHE A 44 -11.205 5.039 -5.965 1.00 0.00 C ATOM 644 CG PHE A 44 -10.769 5.514 -7.321 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.005 6.663 -7.457 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.132 4.817 -8.463 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.613 7.107 -8.706 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.740 5.255 -9.714 1.00 0.00 C ATOM 649 CZ PHE A 44 -9.980 6.403 -9.835 1.00 0.00 C ATOM 0 H PHE A 44 -11.193 7.221 -4.725 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.172 5.825 -6.304 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.401 5.211 -5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.376 3.963 -6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.713 7.217 -6.577 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.728 3.921 -8.374 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.020 8.005 -8.798 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.027 4.701 -10.596 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.674 6.749 -10.811 1.00 0.00 H new ATOM 659 N MET A 45 -12.762 5.105 -3.138 1.00 0.00 N ATOM 660 CA MET A 45 -13.345 4.369 -2.020 1.00 0.00 C ATOM 661 C MET A 45 -14.841 4.641 -1.908 1.00 0.00 C ATOM 662 O MET A 45 -15.598 3.809 -1.406 1.00 0.00 O ATOM 663 CB MET A 45 -12.653 4.748 -0.708 1.00 0.00 C ATOM 664 CG MET A 45 -11.261 4.154 -0.557 1.00 0.00 C ATOM 665 SD MET A 45 -11.288 2.366 -0.320 1.00 0.00 S ATOM 666 CE MET A 45 -12.113 2.244 1.265 1.00 0.00 C ATOM 0 H MET A 45 -12.040 5.774 -2.872 1.00 0.00 H new ATOM 0 HA MET A 45 -13.197 3.306 -2.208 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.584 5.834 -0.645 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.271 4.419 0.127 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.672 4.390 -1.443 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.761 4.621 0.292 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.649 1.455 1.857 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.026 3.193 1.794 1.00 0.00 H new ATOM 0 HE3 MET A 45 -13.166 2.010 1.110 1.00 0.00 H new ATOM 676 N ASP A 46 -15.259 5.811 -2.378 1.00 0.00 N ATOM 677 CA ASP A 46 -16.664 6.203 -2.332 1.00 0.00 C ATOM 678 C ASP A 46 -17.538 5.220 -3.106 1.00 0.00 C ATOM 679 O ASP A 46 -18.698 5.001 -2.757 1.00 0.00 O ATOM 680 CB ASP A 46 -16.836 7.612 -2.904 1.00 0.00 C ATOM 681 CG ASP A 46 -18.274 8.086 -2.854 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.023 7.813 -3.815 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.651 8.735 -1.855 1.00 0.00 O ATOM 0 H ASP A 46 -14.643 6.507 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.981 6.194 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.208 8.307 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.488 7.627 -3.937 1.00 0.00 H new ATOM 688 N LYS A 47 -16.975 4.630 -4.157 1.00 0.00 N ATOM 689 CA LYS A 47 -17.709 3.676 -4.983 1.00 0.00 C ATOM 690 C LYS A 47 -17.393 2.237 -4.586 1.00 0.00 C ATOM 691 O LYS A 47 -18.273 1.377 -4.578 1.00 0.00 O ATOM 692 CB LYS A 47 -17.369 3.888 -6.459 1.00 0.00 C ATOM 693 CG LYS A 47 -17.846 5.222 -7.013 1.00 0.00 C ATOM 694 CD LYS A 47 -19.364 5.285 -7.091 1.00 0.00 C ATOM 695 CE LYS A 47 -19.837 6.598 -7.694 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.321 6.646 -7.825 1.00 0.00 N ATOM 0 H LYS A 47 -16.014 4.795 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.773 3.848 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.289 3.817 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.813 3.083 -7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.480 6.031 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.423 5.377 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.733 4.454 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.786 5.169 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.501 7.426 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.381 6.732 -8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.604 7.557 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -21.640 5.871 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.756 6.544 -6.886 1.00 0.00 H new ATOM 710 N TYR A 48 -16.132 1.985 -4.262 1.00 0.00 N ATOM 711 CA TYR A 48 -15.688 0.650 -3.871 1.00 0.00 C ATOM 712 C TYR A 48 -16.469 0.119 -2.668 1.00 0.00 C ATOM 713 O TYR A 48 -17.022 -0.980 -2.718 1.00 0.00 O ATOM 714 CB TYR A 48 -14.193 0.666 -3.548 1.00 0.00 C ATOM 715 CG TYR A 48 -13.299 0.479 -4.755 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.362 1.347 -5.838 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.385 -0.566 -4.805 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.541 1.178 -6.936 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.559 -0.742 -5.900 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.642 0.133 -6.962 1.00 0.00 C ATOM 721 OH TYR A 48 -10.821 -0.037 -8.053 1.00 0.00 O ATOM 0 H TYR A 48 -15.394 2.689 -4.262 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.876 -0.016 -4.713 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -13.946 1.613 -3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.980 -0.122 -2.825 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.064 2.167 -5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.318 -1.253 -3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.603 1.861 -7.770 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.854 -1.559 -5.923 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.897 0.176 -7.804 1.00 0.00 H new ATOM 731 N TYR A 49 -16.515 0.900 -1.592 1.00 0.00 N ATOM 732 CA TYR A 49 -17.217 0.489 -0.377 1.00 0.00 C ATOM 733 C TYR A 49 -18.698 0.220 -0.646 1.00 0.00 C ATOM 734 O TYR A 49 -19.376 -0.414 0.162 1.00 0.00 O ATOM 735 CB TYR A 49 -17.050 1.548 0.723 1.00 0.00 C ATOM 736 CG TYR A 49 -18.242 2.466 0.901 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.442 3.554 0.061 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.163 2.245 1.918 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.527 4.396 0.229 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.250 3.080 2.091 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.427 4.154 1.244 1.00 0.00 C ATOM 742 OH TYR A 49 -21.509 4.989 1.413 1.00 0.00 O ATOM 0 H TYR A 49 -16.076 1.819 -1.535 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.771 -0.445 -0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -16.853 1.043 1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.172 2.153 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.739 3.746 -0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.027 1.406 2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.668 5.238 -0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -20.957 2.893 2.885 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.046 4.679 2.172 1.00 0.00 H new ATOM 752 N LEU A 50 -19.196 0.706 -1.779 1.00 0.00 N ATOM 753 CA LEU A 50 -20.597 0.509 -2.142 1.00 0.00 C ATOM 754 C LEU A 50 -20.820 -0.870 -2.758 1.00 0.00 C ATOM 755 O LEU A 50 -21.714 -1.608 -2.344 1.00 0.00 O ATOM 756 CB LEU A 50 -21.058 1.592 -3.120 1.00 0.00 C ATOM 757 CG LEU A 50 -21.205 2.991 -2.521 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.524 4.005 -3.609 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.287 3.001 -1.451 1.00 0.00 C ATOM 0 H LEU A 50 -18.653 1.237 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.186 0.579 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.347 1.640 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.017 1.293 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.258 3.269 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.625 4.995 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.718 4.017 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.458 3.730 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.378 4.004 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.238 2.703 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.021 2.302 -0.658 1.00 0.00 H new ATOM 771 N GLU A 51 -20.002 -1.209 -3.749 1.00 0.00 N ATOM 772 CA GLU A 51 -20.113 -2.495 -4.431 1.00 0.00 C ATOM 773 C GLU A 51 -19.954 -3.660 -3.454 1.00 0.00 C ATOM 774 O GLU A 51 -20.653 -4.669 -3.561 1.00 0.00 O ATOM 775 CB GLU A 51 -19.067 -2.598 -5.541 1.00 0.00 C ATOM 776 CG GLU A 51 -19.196 -1.515 -6.601 1.00 0.00 C ATOM 777 CD GLU A 51 -18.128 -1.614 -7.672 1.00 0.00 C ATOM 778 OE1 GLU A 51 -17.028 -1.057 -7.468 1.00 0.00 O ATOM 779 OE2 GLU A 51 -18.391 -2.250 -8.715 1.00 0.00 O ATOM 0 H GLU A 51 -19.254 -0.611 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.109 -2.554 -4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.073 -2.544 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.151 -3.574 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.179 -1.584 -7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.137 -0.537 -6.124 1.00 0.00 H new ATOM 786 N PHE A 52 -19.036 -3.515 -2.505 1.00 0.00 N ATOM 787 CA PHE A 52 -18.790 -4.560 -1.517 1.00 0.00 C ATOM 788 C PHE A 52 -19.929 -4.641 -0.505 1.00 0.00 C ATOM 789 O PHE A 52 -19.909 -3.965 0.525 1.00 0.00 O ATOM 790 CB PHE A 52 -17.464 -4.309 -0.795 1.00 0.00 C ATOM 791 CG PHE A 52 -16.254 -4.674 -1.610 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.910 -3.942 -2.735 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.459 -5.749 -1.246 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.796 -4.277 -3.482 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.345 -6.088 -1.988 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.013 -5.351 -3.108 1.00 0.00 C ATOM 0 H PHE A 52 -18.451 -2.686 -2.399 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.734 -5.512 -2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.403 -3.256 -0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.452 -4.880 0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.519 -3.101 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.714 -6.329 -0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.538 -3.699 -4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.734 -6.928 -1.693 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.142 -5.614 -3.690 1.00 0.00 H new ATOM 806 N GLU A 53 -20.924 -5.468 -0.809 1.00 0.00 N ATOM 807 CA GLU A 53 -22.071 -5.646 0.075 1.00 0.00 C ATOM 808 C GLU A 53 -21.940 -6.936 0.880 1.00 0.00 C ATOM 809 O GLU A 53 -21.437 -7.942 0.378 1.00 0.00 O ATOM 810 CB GLU A 53 -23.370 -5.667 -0.734 1.00 0.00 C ATOM 811 CG GLU A 53 -23.365 -6.682 -1.864 1.00 0.00 C ATOM 812 CD GLU A 53 -24.687 -6.738 -2.604 1.00 0.00 C ATOM 813 OE1 GLU A 53 -24.955 -5.821 -3.408 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.453 -7.699 -2.380 1.00 0.00 O ATOM 0 H GLU A 53 -20.959 -6.026 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.097 -4.805 0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -24.202 -5.885 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.546 -4.675 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.570 -6.434 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.137 -7.668 -1.460 1.00 0.00 H new ATOM 821 N ASP A 54 -22.392 -6.898 2.130 1.00 0.00 N ATOM 822 CA ASP A 54 -22.321 -8.064 3.003 1.00 0.00 C ATOM 823 C ASP A 54 -23.187 -9.201 2.470 1.00 0.00 C ATOM 824 O ASP A 54 -24.416 -9.129 2.508 1.00 0.00 O ATOM 825 CB ASP A 54 -22.768 -7.695 4.420 1.00 0.00 C ATOM 826 CG ASP A 54 -22.631 -8.852 5.388 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.573 -9.667 5.476 1.00 0.00 O ATOM 828 OD2 ASP A 54 -21.582 -8.944 6.060 1.00 0.00 O ATOM 0 H ASP A 54 -22.811 -6.073 2.560 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.285 -8.401 3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.175 -6.853 4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.807 -7.366 4.396 1.00 0.00 H new ATOM 833 N THR A 55 -22.539 -10.250 1.970 1.00 0.00 N ATOM 834 CA THR A 55 -23.251 -11.403 1.433 1.00 0.00 C ATOM 835 C THR A 55 -22.609 -12.707 1.889 1.00 0.00 C ATOM 836 O THR A 55 -21.564 -12.703 2.542 1.00 0.00 O ATOM 837 CB THR A 55 -23.295 -11.378 -0.106 1.00 0.00 C ATOM 838 OG1 THR A 55 -21.967 -11.430 -0.638 1.00 0.00 O ATOM 839 CG2 THR A 55 -23.997 -10.124 -0.606 1.00 0.00 C ATOM 0 H THR A 55 -21.523 -10.324 1.926 1.00 0.00 H new ATOM 0 HA THR A 55 -24.270 -11.347 1.816 1.00 0.00 H new ATOM 0 HB THR A 55 -23.854 -12.250 -0.444 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.006 -11.415 -1.617 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.016 -10.128 -1.696 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.018 -10.102 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.460 -9.242 -0.256 1.00 0.00 H new ATOM 847 N GLU A 56 -23.240 -13.823 1.541 1.00 0.00 N ATOM 848 CA GLU A 56 -22.733 -15.139 1.911 1.00 0.00 C ATOM 849 C GLU A 56 -21.769 -15.669 0.856 1.00 0.00 C ATOM 850 O GLU A 56 -20.742 -16.266 1.183 1.00 0.00 O ATOM 851 CB GLU A 56 -23.892 -16.120 2.098 1.00 0.00 C ATOM 852 CG GLU A 56 -24.769 -15.801 3.297 1.00 0.00 C ATOM 853 CD GLU A 56 -23.999 -15.817 4.602 1.00 0.00 C ATOM 854 OE1 GLU A 56 -23.839 -16.912 5.183 1.00 0.00 O ATOM 855 OE2 GLU A 56 -23.555 -14.737 5.044 1.00 0.00 O ATOM 0 H GLU A 56 -24.106 -13.842 1.002 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.193 -15.040 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.507 -16.119 1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.491 -17.127 2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.223 -14.820 3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -25.583 -16.524 3.350 1.00 0.00 H new ATOM 862 N GLU A 57 -22.106 -15.447 -0.409 1.00 0.00 N ATOM 863 CA GLU A 57 -21.270 -15.902 -1.512 1.00 0.00 C ATOM 864 C GLU A 57 -20.730 -14.721 -2.313 1.00 0.00 C ATOM 865 O GLU A 57 -21.497 -13.920 -2.848 1.00 0.00 O ATOM 866 CB GLU A 57 -22.065 -16.835 -2.427 1.00 0.00 C ATOM 867 CG GLU A 57 -21.229 -17.470 -3.526 1.00 0.00 C ATOM 868 CD GLU A 57 -22.028 -18.428 -4.387 1.00 0.00 C ATOM 869 OE1 GLU A 57 -22.639 -17.968 -5.375 1.00 0.00 O ATOM 870 OE2 GLU A 57 -22.044 -19.637 -4.073 1.00 0.00 O ATOM 0 H GLU A 57 -22.952 -14.955 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 57 -20.424 -16.447 -1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -22.516 -17.623 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -22.882 -16.275 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -20.808 -16.686 -4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -20.391 -18.003 -3.078 1.00 0.00 H new ATOM 877 N ASN A 58 -19.406 -14.620 -2.389 1.00 0.00 N ATOM 878 CA ASN A 58 -18.760 -13.537 -3.123 1.00 0.00 C ATOM 879 C ASN A 58 -19.059 -13.636 -4.616 1.00 0.00 C ATOM 880 O ASN A 58 -19.017 -14.720 -5.197 1.00 0.00 O ATOM 881 CB ASN A 58 -17.248 -13.566 -2.893 1.00 0.00 C ATOM 882 CG ASN A 58 -16.877 -13.395 -1.430 1.00 0.00 C ATOM 883 OD1 ASN A 58 -15.886 -13.952 -0.962 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.672 -12.617 -0.703 1.00 0.00 N ATOM 0 H ASN A 58 -18.759 -15.276 -1.951 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.160 -12.593 -2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.847 -14.512 -3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.780 -12.774 -3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.470 -12.462 0.285 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.484 -12.174 -1.133 1.00 0.00 H new ATOM 891 N LYS A 59 -19.359 -12.496 -5.230 1.00 0.00 N ATOM 892 CA LYS A 59 -19.664 -12.451 -6.657 1.00 0.00 C ATOM 893 C LYS A 59 -18.385 -12.412 -7.487 1.00 0.00 C ATOM 894 O LYS A 59 -17.284 -12.309 -6.946 1.00 0.00 O ATOM 895 CB LYS A 59 -20.530 -11.231 -6.976 1.00 0.00 C ATOM 896 CG LYS A 59 -21.905 -11.269 -6.325 1.00 0.00 C ATOM 897 CD LYS A 59 -22.732 -10.046 -6.693 1.00 0.00 C ATOM 898 CE LYS A 59 -22.150 -8.774 -6.095 1.00 0.00 C ATOM 899 NZ LYS A 59 -22.066 -8.847 -4.610 1.00 0.00 N ATOM 0 H LYS A 59 -19.398 -11.590 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.214 -13.356 -6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.008 -10.331 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.651 -11.155 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.431 -12.172 -6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.794 -11.322 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.778 -9.950 -7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.755 -10.179 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -21.156 -8.601 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -22.767 -7.922 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.794 -7.917 -4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.992 -9.121 -4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.354 -9.554 -4.337 1.00 0.00 H new ATOM 913 N LEU A 60 -18.540 -12.498 -8.805 1.00 0.00 N ATOM 914 CA LEU A 60 -17.399 -12.475 -9.715 1.00 0.00 C ATOM 915 C LEU A 60 -16.909 -11.049 -9.947 1.00 0.00 C ATOM 916 O LEU A 60 -15.779 -10.835 -10.386 1.00 0.00 O ATOM 917 CB LEU A 60 -17.778 -13.122 -11.051 1.00 0.00 C ATOM 918 CG LEU A 60 -16.649 -13.202 -12.082 1.00 0.00 C ATOM 919 CD1 LEU A 60 -15.544 -14.126 -11.594 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.186 -13.676 -13.424 1.00 0.00 C ATOM 0 H LEU A 60 -19.445 -12.584 -9.267 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.589 -13.043 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.143 -14.131 -10.857 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -18.606 -12.562 -11.486 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.230 -12.204 -12.211 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.751 -14.170 -12.340 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.139 -13.746 -10.656 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.949 -15.126 -11.436 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.370 -13.727 -14.145 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.631 -14.664 -13.309 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.942 -12.977 -13.781 1.00 0.00 H new ATOM 932 N ILE A 61 -17.764 -10.075 -9.645 1.00 0.00 N ATOM 933 CA ILE A 61 -17.418 -8.668 -9.825 1.00 0.00 C ATOM 934 C ILE A 61 -16.249 -8.264 -8.925 1.00 0.00 C ATOM 935 O ILE A 61 -15.624 -7.224 -9.130 1.00 0.00 O ATOM 936 CB ILE A 61 -18.630 -7.755 -9.534 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.345 -6.318 -9.981 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.984 -7.791 -8.054 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.244 -6.154 -11.484 1.00 0.00 C ATOM 0 H ILE A 61 -18.701 -10.234 -9.275 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.121 -8.542 -10.866 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.482 -8.129 -10.102 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.135 -5.667 -9.606 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.413 -5.983 -9.525 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.840 -7.142 -7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.233 -8.812 -7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.133 -7.445 -7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.041 -5.110 -11.723 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.435 -6.777 -11.864 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.183 -6.456 -11.947 1.00 0.00 H new ATOM 951 N TYR A 62 -15.950 -9.099 -7.935 1.00 0.00 N ATOM 952 CA TYR A 62 -14.859 -8.823 -7.006 1.00 0.00 C ATOM 953 C TYR A 62 -13.498 -8.927 -7.695 1.00 0.00 C ATOM 954 O TYR A 62 -12.520 -8.332 -7.239 1.00 0.00 O ATOM 955 CB TYR A 62 -14.918 -9.783 -5.816 1.00 0.00 C ATOM 956 CG TYR A 62 -16.049 -9.489 -4.852 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.369 -9.742 -5.200 1.00 0.00 C ATOM 958 CD2 TYR A 62 -15.792 -8.963 -3.592 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.403 -9.478 -4.320 1.00 0.00 C ATOM 960 CE2 TYR A 62 -16.819 -8.697 -2.705 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.123 -8.956 -3.075 1.00 0.00 C ATOM 962 OH TYR A 62 -19.148 -8.694 -2.196 1.00 0.00 O ATOM 0 H TYR A 62 -16.447 -9.971 -7.755 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.979 -7.800 -6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.025 -10.802 -6.188 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.972 -9.738 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.592 -10.152 -6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -14.772 -8.758 -3.300 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.425 -9.680 -4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.602 -8.289 -1.729 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.780 -8.331 -1.364 1.00 0.00 H new ATOM 972 N THR A 63 -13.437 -9.675 -8.794 1.00 0.00 N ATOM 973 CA THR A 63 -12.184 -9.846 -9.524 1.00 0.00 C ATOM 974 C THR A 63 -11.806 -8.583 -10.306 1.00 0.00 C ATOM 975 O THR A 63 -10.691 -8.082 -10.160 1.00 0.00 O ATOM 976 CB THR A 63 -12.240 -11.052 -10.487 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.529 -12.250 -9.756 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.923 -11.215 -11.233 1.00 0.00 C ATOM 0 H THR A 63 -14.234 -10.169 -9.196 1.00 0.00 H new ATOM 0 HA THR A 63 -11.417 -10.036 -8.773 1.00 0.00 H new ATOM 0 HB THR A 63 -13.031 -10.869 -11.214 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.565 -13.010 -10.374 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.989 -12.071 -11.904 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.719 -10.314 -11.812 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.117 -11.376 -10.517 1.00 0.00 H new ATOM 986 N PRO A 64 -12.715 -8.042 -11.149 1.00 0.00 N ATOM 987 CA PRO A 64 -12.432 -6.830 -11.925 1.00 0.00 C ATOM 988 C PRO A 64 -12.173 -5.620 -11.033 1.00 0.00 C ATOM 989 O PRO A 64 -11.263 -4.833 -11.291 1.00 0.00 O ATOM 990 CB PRO A 64 -13.701 -6.619 -12.761 1.00 0.00 C ATOM 991 CG PRO A 64 -14.760 -7.392 -12.058 1.00 0.00 C ATOM 992 CD PRO A 64 -14.065 -8.564 -11.428 1.00 0.00 C ATOM 0 HA PRO A 64 -11.531 -6.941 -12.528 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.960 -5.562 -12.824 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.565 -6.975 -13.782 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.255 -6.780 -11.304 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.530 -7.723 -12.755 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.568 -8.889 -10.517 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.034 -9.423 -12.099 1.00 0.00 H new ATOM 1000 N ILE A 65 -12.978 -5.476 -9.982 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.825 -4.359 -9.055 1.00 0.00 C ATOM 1002 C ILE A 65 -11.452 -4.386 -8.392 1.00 0.00 C ATOM 1003 O ILE A 65 -10.779 -3.360 -8.295 1.00 0.00 O ATOM 1004 CB ILE A 65 -13.914 -4.376 -7.963 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.302 -4.248 -8.594 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.677 -3.256 -6.958 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.436 -4.471 -7.615 1.00 0.00 C ATOM 0 H ILE A 65 -13.739 -6.116 -9.753 1.00 0.00 H new ATOM 0 HA ILE A 65 -12.928 -3.445 -9.640 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.862 -5.328 -7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.402 -3.255 -9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.389 -4.967 -9.408 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.454 -3.282 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.702 -3.389 -6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.705 -2.295 -7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.390 -4.365 -8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.361 -5.474 -7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.374 -3.735 -6.813 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.043 -5.566 -7.933 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.748 -5.725 -7.281 1.00 0.00 C ATOM 1021 C PHE A 66 -8.619 -5.310 -8.219 1.00 0.00 C ATOM 1022 O PHE A 66 -7.676 -4.635 -7.809 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.552 -7.177 -6.836 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.308 -7.395 -6.023 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.302 -7.130 -4.663 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.148 -7.866 -6.616 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.162 -7.330 -3.909 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.005 -8.069 -5.867 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.011 -7.801 -4.511 1.00 0.00 C ATOM 0 H PHE A 66 -11.590 -6.425 -8.001 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.726 -5.079 -6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.417 -7.489 -6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.516 -7.817 -7.718 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.199 -6.763 -4.187 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.137 -8.077 -7.675 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.170 -7.118 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.107 -8.437 -6.341 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.119 -7.959 -3.924 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.727 -5.719 -9.480 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.718 -5.392 -10.482 1.00 0.00 C ATOM 1041 C ASN A 67 -7.581 -3.881 -10.646 1.00 0.00 C ATOM 1042 O ASN A 67 -6.477 -3.364 -10.825 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.080 -6.032 -11.824 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.160 -7.546 -11.743 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.489 -8.171 -10.922 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.981 -8.142 -12.599 1.00 0.00 N ATOM 0 H ASN A 67 -9.504 -6.278 -9.832 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.761 -5.789 -10.142 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.038 -5.638 -12.164 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.337 -5.750 -12.570 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.074 -9.158 -12.593 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.518 -7.584 -13.263 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.707 -3.178 -10.582 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.714 -1.726 -10.725 1.00 0.00 C ATOM 1055 C GLU A 68 -8.024 -1.056 -9.540 1.00 0.00 C ATOM 1056 O GLU A 68 -7.407 -0.003 -9.684 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.150 -1.212 -10.848 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.244 0.296 -11.019 1.00 0.00 C ATOM 1059 CD GLU A 68 -11.669 0.771 -11.224 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.386 0.955 -10.218 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.069 0.961 -12.393 1.00 0.00 O ATOM 0 H GLU A 68 -9.628 -3.591 -10.432 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.164 -1.474 -11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.629 -1.696 -11.699 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.709 -1.504 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.825 0.785 -10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.637 0.600 -11.872 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.133 -1.677 -8.371 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.521 -1.141 -7.159 1.00 0.00 C ATOM 1070 C TYR A 69 -6.000 -1.248 -7.226 1.00 0.00 C ATOM 1071 O TYR A 69 -5.280 -0.366 -6.752 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.045 -1.891 -5.934 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.626 -1.278 -4.617 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.371 -0.258 -4.040 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.492 -1.723 -3.950 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.995 0.304 -2.833 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.109 -1.166 -2.745 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.864 -0.154 -2.190 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.484 0.402 -0.989 1.00 0.00 O ATOM 0 H TYR A 69 -8.639 -2.552 -8.236 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.787 -0.087 -7.076 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.134 -1.924 -5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.693 -2.922 -5.973 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.257 0.102 -4.541 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.900 -2.517 -4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.584 1.097 -2.397 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.223 -1.521 -2.240 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.667 -0.035 -0.670 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.521 -2.336 -7.815 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.089 -2.576 -7.950 1.00 0.00 C ATOM 1091 C ILE A 70 -3.473 -1.683 -9.024 1.00 0.00 C ATOM 1092 O ILE A 70 -2.294 -1.340 -8.960 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.804 -4.052 -8.287 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.482 -4.970 -7.262 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.303 -4.310 -8.331 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.969 -4.793 -5.847 1.00 0.00 C ATOM 0 H ILE A 70 -6.107 -3.071 -8.210 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.634 -2.335 -6.990 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.215 -4.271 -9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.556 -4.783 -7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.336 -6.007 -7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.121 -5.358 -8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.848 -3.679 -9.094 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.865 -4.078 -7.360 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.496 -5.476 -5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.901 -5.009 -5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.140 -3.766 -5.524 1.00 0.00 H new ATOM 1108 N SER A 71 -4.270 -1.317 -10.019 1.00 0.00 N ATOM 1109 CA SER A 71 -3.789 -0.473 -11.105 1.00 0.00 C ATOM 1110 C SER A 71 -3.969 1.010 -10.791 1.00 0.00 C ATOM 1111 O SER A 71 -3.237 1.853 -11.307 1.00 0.00 O ATOM 1112 CB SER A 71 -4.517 -0.824 -12.401 1.00 0.00 C ATOM 1113 OG SER A 71 -4.276 -2.171 -12.772 1.00 0.00 O ATOM 0 H SER A 71 -5.250 -1.590 -10.097 1.00 0.00 H new ATOM 0 HA SER A 71 -2.722 -0.660 -11.223 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.588 -0.664 -12.275 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.187 -0.159 -13.199 1.00 0.00 H new ATOM 0 HG SER A 71 -4.886 -2.760 -12.280 1.00 0.00 H new ATOM 1119 N LEU A 72 -4.960 1.329 -9.964 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.231 2.719 -9.602 1.00 0.00 C ATOM 1121 C LEU A 72 -4.463 3.153 -8.350 1.00 0.00 C ATOM 1122 O LEU A 72 -3.618 4.046 -8.407 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.739 2.913 -9.393 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.235 4.366 -9.334 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.876 5.014 -8.005 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.674 5.179 -10.493 1.00 0.00 C ATOM 0 H LEU A 72 -5.586 0.649 -9.533 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.887 3.348 -10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.265 2.404 -10.201 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.023 2.416 -8.465 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.321 4.349 -9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.239 6.042 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.338 4.455 -7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.793 5.010 -7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.040 6.204 -10.429 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.585 5.178 -10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.995 4.737 -11.436 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.761 2.511 -7.221 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.129 2.855 -5.946 1.00 0.00 C ATOM 1140 C VAL A 73 -2.677 2.391 -5.854 1.00 0.00 C ATOM 1141 O VAL A 73 -1.771 3.208 -5.692 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.915 2.268 -4.757 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.314 2.732 -3.438 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.382 2.656 -4.847 1.00 0.00 C ATOM 0 H VAL A 73 -5.437 1.749 -7.162 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.140 3.944 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.845 1.181 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.882 2.308 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.277 2.401 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.352 3.820 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.923 2.234 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.473 3.742 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.804 2.271 -5.775 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.462 1.081 -5.950 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.115 0.522 -5.852 1.00 0.00 C ATOM 1156 C GLU A 74 -0.159 1.221 -6.813 1.00 0.00 C ATOM 1157 O GLU A 74 0.968 1.559 -6.447 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.145 -0.982 -6.137 1.00 0.00 C ATOM 1159 CG GLU A 74 0.171 -1.692 -5.856 1.00 0.00 C ATOM 1160 CD GLU A 74 1.200 -1.482 -6.950 1.00 0.00 C ATOM 1161 OE1 GLU A 74 0.989 -1.994 -8.070 1.00 0.00 O ATOM 1162 OE2 GLU A 74 2.219 -0.808 -6.687 1.00 0.00 O ATOM 0 H GLU A 74 -3.198 0.390 -6.095 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.754 0.685 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.929 -1.440 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.414 -1.138 -7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.576 -1.334 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.016 -2.760 -5.740 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.619 1.446 -8.037 1.00 0.00 N ATOM 1170 CA LYS A 75 0.198 2.109 -9.047 1.00 0.00 C ATOM 1171 C LYS A 75 0.482 3.554 -8.647 1.00 0.00 C ATOM 1172 O LYS A 75 1.583 4.061 -8.867 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.503 2.065 -10.403 1.00 0.00 C ATOM 1174 CG LYS A 75 0.378 2.487 -11.567 1.00 0.00 C ATOM 1175 CD LYS A 75 1.519 1.507 -11.788 1.00 0.00 C ATOM 1176 CE LYS A 75 2.386 1.919 -12.967 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.613 1.955 -14.238 1.00 0.00 N ATOM 0 H LYS A 75 -1.551 1.180 -8.355 1.00 0.00 H new ATOM 0 HA LYS A 75 1.148 1.580 -9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.863 1.052 -10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.379 2.713 -10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.224 2.556 -12.473 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.783 3.481 -11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.131 1.450 -10.888 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.115 0.510 -11.963 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.816 2.902 -12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.218 1.222 -13.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.270 2.004 -15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.034 1.095 -14.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.994 2.791 -14.244 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.515 4.213 -8.058 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.369 5.599 -7.624 1.00 0.00 C ATOM 1193 C TYR A 76 0.823 5.754 -6.681 1.00 0.00 C ATOM 1194 O TYR A 76 1.627 6.675 -6.831 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.650 6.077 -6.935 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.618 7.531 -6.518 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.909 8.541 -7.428 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.303 7.895 -5.214 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.884 9.871 -7.051 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.277 9.222 -4.830 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.569 10.206 -5.752 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.545 11.529 -5.372 1.00 0.00 O ATOM 0 H TYR A 76 -1.432 3.808 -7.871 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.190 6.213 -8.506 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.493 5.921 -7.609 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.828 5.461 -6.054 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.159 8.282 -8.446 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.075 7.128 -4.489 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.110 10.644 -7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.029 9.488 -3.813 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.306 11.593 -4.424 1.00 0.00 H new ATOM 1212 N ILE A 77 0.933 4.847 -5.713 1.00 0.00 N ATOM 1213 CA ILE A 77 2.030 4.888 -4.750 1.00 0.00 C ATOM 1214 C ILE A 77 3.373 4.686 -5.447 1.00 0.00 C ATOM 1215 O ILE A 77 4.339 5.396 -5.170 1.00 0.00 O ATOM 1216 CB ILE A 77 1.869 3.811 -3.656 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.523 3.970 -2.942 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.019 3.892 -2.661 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.271 2.923 -1.877 1.00 0.00 C ATOM 0 H ILE A 77 0.278 4.077 -5.575 1.00 0.00 H new ATOM 0 HA ILE A 77 2.002 5.872 -4.283 1.00 0.00 H new ATOM 0 HB ILE A 77 1.891 2.829 -4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.479 4.958 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.278 3.924 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.892 3.127 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.963 3.731 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.026 4.876 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.700 3.100 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.282 1.932 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.050 2.982 -1.117 1.00 0.00 H new ATOM 1231 N GLU A 78 3.422 3.711 -6.350 1.00 0.00 N ATOM 1232 CA GLU A 78 4.644 3.406 -7.088 1.00 0.00 C ATOM 1233 C GLU A 78 5.151 4.630 -7.845 1.00 0.00 C ATOM 1234 O GLU A 78 6.348 4.914 -7.853 1.00 0.00 O ATOM 1235 CB GLU A 78 4.398 2.253 -8.063 1.00 0.00 C ATOM 1236 CG GLU A 78 5.631 1.848 -8.854 1.00 0.00 C ATOM 1237 CD GLU A 78 5.346 0.741 -9.851 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.970 1.059 -10.998 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.498 -0.442 -9.482 1.00 0.00 O ATOM 0 H GLU A 78 2.628 3.117 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 78 5.407 3.111 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.035 1.389 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.609 2.539 -8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.020 2.718 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.409 1.520 -8.165 1.00 0.00 H new ATOM 1246 N GLU A 79 4.233 5.354 -8.479 1.00 0.00 N ATOM 1247 CA GLU A 79 4.589 6.545 -9.243 1.00 0.00 C ATOM 1248 C GLU A 79 5.189 7.621 -8.341 1.00 0.00 C ATOM 1249 O GLU A 79 6.250 8.173 -8.639 1.00 0.00 O ATOM 1250 CB GLU A 79 3.361 7.098 -9.969 1.00 0.00 C ATOM 1251 CG GLU A 79 2.789 6.148 -11.009 1.00 0.00 C ATOM 1252 CD GLU A 79 3.798 5.774 -12.077 1.00 0.00 C ATOM 1253 OE1 GLU A 79 3.939 6.538 -13.055 1.00 0.00 O ATOM 1254 OE2 GLU A 79 4.448 4.717 -11.936 1.00 0.00 O ATOM 0 H GLU A 79 3.236 5.136 -8.479 1.00 0.00 H new ATOM 0 HA GLU A 79 5.340 6.258 -9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.588 7.328 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.629 8.036 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.438 5.243 -10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.922 6.611 -11.480 1.00 0.00 H new ATOM 1261 N GLN A 80 4.508 7.911 -7.236 1.00 0.00 N ATOM 1262 CA GLN A 80 4.969 8.928 -6.295 1.00 0.00 C ATOM 1263 C GLN A 80 6.359 8.605 -5.756 1.00 0.00 C ATOM 1264 O GLN A 80 7.149 9.507 -5.480 1.00 0.00 O ATOM 1265 CB GLN A 80 3.981 9.065 -5.137 1.00 0.00 C ATOM 1266 CG GLN A 80 2.609 9.559 -5.566 1.00 0.00 C ATOM 1267 CD GLN A 80 2.659 10.923 -6.226 1.00 0.00 C ATOM 1268 OE1 GLN A 80 1.849 11.231 -7.101 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.610 11.752 -5.809 1.00 0.00 N ATOM 0 H GLN A 80 3.635 7.456 -6.970 1.00 0.00 H new ATOM 0 HA GLN A 80 5.028 9.874 -6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.873 8.098 -4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.392 9.754 -4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.169 8.841 -6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.955 9.605 -4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.261 11.457 -5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.689 12.684 -6.217 1.00 0.00 H new ATOM 1278 N LEU A 81 6.656 7.318 -5.606 1.00 0.00 N ATOM 1279 CA LEU A 81 7.957 6.896 -5.098 1.00 0.00 C ATOM 1280 C LEU A 81 9.030 7.013 -6.175 1.00 0.00 C ATOM 1281 O LEU A 81 10.185 7.317 -5.879 1.00 0.00 O ATOM 1282 CB LEU A 81 7.891 5.459 -4.573 1.00 0.00 C ATOM 1283 CG LEU A 81 7.097 5.275 -3.277 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.040 3.806 -2.893 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.713 6.095 -2.152 1.00 0.00 C ATOM 0 H LEU A 81 6.018 6.553 -5.827 1.00 0.00 H new ATOM 0 HA LEU A 81 8.224 7.558 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.449 4.827 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.908 5.101 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 81 6.080 5.629 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.472 3.693 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.555 3.240 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.052 3.429 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.135 5.952 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.740 5.771 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.705 7.150 -2.424 1.00 0.00 H new ATOM 1297 N LEU A 82 8.645 6.775 -7.425 1.00 0.00 N ATOM 1298 CA LEU A 82 9.582 6.856 -8.540 1.00 0.00 C ATOM 1299 C LEU A 82 9.998 8.302 -8.800 1.00 0.00 C ATOM 1300 O LEU A 82 11.061 8.557 -9.366 1.00 0.00 O ATOM 1301 CB LEU A 82 8.967 6.251 -9.805 1.00 0.00 C ATOM 1302 CG LEU A 82 8.814 4.727 -9.790 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.093 4.249 -11.041 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.174 4.055 -9.673 1.00 0.00 C ATOM 0 H LEU A 82 7.693 6.525 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 82 10.471 6.284 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.985 6.697 -9.962 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.584 6.530 -10.659 1.00 0.00 H new ATOM 0 HG LEU A 82 8.216 4.452 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.994 3.164 -11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.103 4.703 -11.086 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.665 4.538 -11.923 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.045 2.973 -9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.795 4.340 -10.523 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.658 4.371 -8.749 1.00 0.00 H new ATOM 1316 N GLN A 83 9.153 9.243 -8.386 1.00 0.00 N ATOM 1317 CA GLN A 83 9.442 10.662 -8.573 1.00 0.00 C ATOM 1318 C GLN A 83 10.717 11.060 -7.835 1.00 0.00 C ATOM 1319 O GLN A 83 11.340 12.073 -8.153 1.00 0.00 O ATOM 1320 CB GLN A 83 8.268 11.515 -8.084 1.00 0.00 C ATOM 1321 CG GLN A 83 7.006 11.351 -8.917 1.00 0.00 C ATOM 1322 CD GLN A 83 7.107 12.016 -10.278 1.00 0.00 C ATOM 1323 OE1 GLN A 83 8.193 12.151 -10.839 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.966 12.431 -10.818 1.00 0.00 N ATOM 0 H GLN A 83 8.266 9.050 -7.921 1.00 0.00 H new ATOM 0 HA GLN A 83 9.590 10.838 -9.638 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.046 11.254 -7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.564 12.564 -8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.801 10.289 -9.051 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.160 11.773 -8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.087 12.299 -10.318 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.969 12.882 -11.733 1.00 0.00 H new ATOM 1333 N ARG A 84 11.097 10.256 -6.846 1.00 0.00 N ATOM 1334 CA ARG A 84 12.299 10.518 -6.062 1.00 0.00 C ATOM 1335 C ARG A 84 13.362 9.455 -6.325 1.00 0.00 C ATOM 1336 O ARG A 84 14.554 9.755 -6.384 1.00 0.00 O ATOM 1337 CB ARG A 84 11.960 10.565 -4.571 1.00 0.00 C ATOM 1338 CG ARG A 84 11.043 11.716 -4.188 1.00 0.00 C ATOM 1339 CD ARG A 84 11.718 13.062 -4.402 1.00 0.00 C ATOM 1340 NE ARG A 84 10.823 14.177 -4.108 1.00 0.00 N ATOM 1341 CZ ARG A 84 11.116 15.447 -4.372 1.00 0.00 C ATOM 1342 NH1 ARG A 84 12.278 15.759 -4.932 1.00 0.00 N ATOM 1343 NH2 ARG A 84 10.250 16.405 -4.077 1.00 0.00 N ATOM 0 H ARG A 84 10.589 9.416 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 84 12.699 11.486 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.487 9.625 -4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.885 10.643 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.130 11.668 -4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.750 11.617 -3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.601 13.129 -3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.061 13.135 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 84 9.922 13.970 -3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.948 15.024 -5.160 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.501 16.734 -5.134 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.356 16.169 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.477 17.378 -4.281 1.00 0.00 H new ATOM 1357 N ILE A 85 12.919 8.210 -6.483 1.00 0.00 N ATOM 1358 CA ILE A 85 13.826 7.100 -6.745 1.00 0.00 C ATOM 1359 C ILE A 85 13.401 6.340 -8.003 1.00 0.00 C ATOM 1360 O ILE A 85 12.637 5.379 -7.921 1.00 0.00 O ATOM 1361 CB ILE A 85 13.883 6.112 -5.557 1.00 0.00 C ATOM 1362 CG1 ILE A 85 14.247 6.842 -4.261 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.883 4.998 -5.837 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.052 7.430 -3.538 1.00 0.00 C ATOM 0 H ILE A 85 11.935 7.946 -6.434 1.00 0.00 H new ATOM 0 HA ILE A 85 14.817 7.529 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 85 12.895 5.669 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.758 6.148 -3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.952 7.641 -4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.910 4.312 -4.990 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.582 4.456 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.873 5.428 -5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.387 7.931 -2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.552 8.150 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.356 6.633 -3.277 1.00 0.00 H new ATOM 1376 N PRO A 86 13.875 6.770 -9.189 1.00 0.00 N ATOM 1377 CA PRO A 86 13.533 6.118 -10.459 1.00 0.00 C ATOM 1378 C PRO A 86 14.053 4.687 -10.537 1.00 0.00 C ATOM 1379 O PRO A 86 13.719 3.941 -11.458 1.00 0.00 O ATOM 1380 CB PRO A 86 14.214 6.991 -11.522 1.00 0.00 C ATOM 1381 CG PRO A 86 14.531 8.276 -10.834 1.00 0.00 C ATOM 1382 CD PRO A 86 14.767 7.924 -9.393 1.00 0.00 C ATOM 0 HA PRO A 86 12.454 6.039 -10.588 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.118 6.515 -11.901 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.557 7.154 -12.376 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.412 8.746 -11.271 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.709 8.985 -10.933 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.810 7.668 -9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.517 8.751 -8.728 1.00 0.00 H new ATOM 1390 N GLU A 87 14.873 4.314 -9.564 1.00 0.00 N ATOM 1391 CA GLU A 87 15.445 2.972 -9.512 1.00 0.00 C ATOM 1392 C GLU A 87 14.778 2.145 -8.420 1.00 0.00 C ATOM 1393 O GLU A 87 15.298 1.109 -8.004 1.00 0.00 O ATOM 1394 CB GLU A 87 16.952 3.047 -9.262 1.00 0.00 C ATOM 1395 CG GLU A 87 17.717 3.775 -10.356 1.00 0.00 C ATOM 1396 CD GLU A 87 19.210 3.822 -10.092 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.915 2.878 -10.506 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.674 4.803 -9.472 1.00 0.00 O ATOM 0 H GLU A 87 15.159 4.923 -8.797 1.00 0.00 H new ATOM 0 HA GLU A 87 15.268 2.488 -10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.129 3.549 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.346 2.035 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.536 3.281 -11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.336 4.792 -10.446 1.00 0.00 H new ATOM 1405 N PHE A 88 13.620 2.609 -7.963 1.00 0.00 N ATOM 1406 CA PHE A 88 12.875 1.922 -6.916 1.00 0.00 C ATOM 1407 C PHE A 88 12.024 0.798 -7.497 1.00 0.00 C ATOM 1408 O PHE A 88 11.519 0.902 -8.614 1.00 0.00 O ATOM 1409 CB PHE A 88 11.984 2.916 -6.168 1.00 0.00 C ATOM 1410 CG PHE A 88 11.285 2.325 -4.979 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.940 2.203 -3.763 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.972 1.894 -5.075 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.298 1.663 -2.666 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.325 1.352 -3.981 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.989 1.237 -2.775 1.00 0.00 C ATOM 0 H PHE A 88 13.176 3.462 -8.303 1.00 0.00 H new ATOM 0 HA PHE A 88 13.591 1.485 -6.221 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.592 3.759 -5.839 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.238 3.311 -6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.964 2.534 -3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.448 1.983 -6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.819 1.574 -1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.301 1.019 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.485 0.814 -1.918 1.00 0.00 H new ATOM 1425 N ASN A 89 11.872 -0.274 -6.728 1.00 0.00 N ATOM 1426 CA ASN A 89 11.078 -1.419 -7.159 1.00 0.00 C ATOM 1427 C ASN A 89 9.947 -1.689 -6.171 1.00 0.00 C ATOM 1428 O ASN A 89 10.177 -2.194 -5.072 1.00 0.00 O ATOM 1429 CB ASN A 89 11.963 -2.658 -7.296 1.00 0.00 C ATOM 1430 CG ASN A 89 13.104 -2.447 -8.273 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.189 -2.009 -7.891 1.00 0.00 O ATOM 1432 ND2 ASN A 89 12.864 -2.757 -9.542 1.00 0.00 N ATOM 0 H ASN A 89 12.288 -0.374 -5.802 1.00 0.00 H new ATOM 0 HA ASN A 89 10.643 -1.188 -8.131 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.368 -2.922 -6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.356 -3.500 -7.627 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.594 -2.635 -10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.950 -3.117 -9.815 1.00 0.00 H new ATOM 1439 N MET A 90 8.726 -1.348 -6.572 1.00 0.00 N ATOM 1440 CA MET A 90 7.558 -1.543 -5.722 1.00 0.00 C ATOM 1441 C MET A 90 7.301 -3.028 -5.479 1.00 0.00 C ATOM 1442 O MET A 90 6.847 -3.421 -4.404 1.00 0.00 O ATOM 1443 CB MET A 90 6.328 -0.894 -6.363 1.00 0.00 C ATOM 1444 CG MET A 90 5.396 -0.231 -5.362 1.00 0.00 C ATOM 1445 SD MET A 90 4.642 -1.405 -4.220 1.00 0.00 S ATOM 1446 CE MET A 90 3.751 -0.293 -3.135 1.00 0.00 C ATOM 0 H MET A 90 8.520 -0.935 -7.482 1.00 0.00 H new ATOM 0 HA MET A 90 7.752 -1.069 -4.760 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.657 -0.150 -7.088 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.774 -1.653 -6.915 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.952 0.514 -4.794 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.611 0.300 -5.901 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.230 -0.870 -2.371 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.453 0.390 -2.658 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.026 0.278 -3.715 1.00 0.00 H new ATOM 1456 N ALA A 91 7.598 -3.850 -6.482 1.00 0.00 N ATOM 1457 CA ALA A 91 7.398 -5.290 -6.378 1.00 0.00 C ATOM 1458 C ALA A 91 8.305 -5.902 -5.315 1.00 0.00 C ATOM 1459 O ALA A 91 7.833 -6.549 -4.377 1.00 0.00 O ATOM 1460 CB ALA A 91 7.643 -5.955 -7.724 1.00 0.00 C ATOM 0 H ALA A 91 7.978 -3.542 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 91 6.365 -5.463 -6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.490 -7.030 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.948 -5.552 -8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.666 -5.760 -8.045 1.00 0.00 H new ATOM 1466 N ALA A 92 9.609 -5.696 -5.467 1.00 0.00 N ATOM 1467 CA ALA A 92 10.584 -6.230 -4.524 1.00 0.00 C ATOM 1468 C ALA A 92 10.406 -5.619 -3.138 1.00 0.00 C ATOM 1469 O ALA A 92 10.761 -6.229 -2.128 1.00 0.00 O ATOM 1470 CB ALA A 92 11.997 -5.984 -5.032 1.00 0.00 C ATOM 0 H ALA A 92 10.015 -5.162 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 92 10.418 -7.304 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.716 -6.388 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.128 -6.475 -5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.161 -4.912 -5.146 1.00 0.00 H new ATOM 1476 N PHE A 93 9.854 -4.410 -3.098 1.00 0.00 N ATOM 1477 CA PHE A 93 9.629 -3.716 -1.837 1.00 0.00 C ATOM 1478 C PHE A 93 8.541 -4.403 -1.016 1.00 0.00 C ATOM 1479 O PHE A 93 8.717 -4.646 0.176 1.00 0.00 O ATOM 1480 CB PHE A 93 9.249 -2.256 -2.091 1.00 0.00 C ATOM 1481 CG PHE A 93 8.924 -1.490 -0.840 1.00 0.00 C ATOM 1482 CD1 PHE A 93 9.829 -1.427 0.208 1.00 0.00 C ATOM 1483 CD2 PHE A 93 7.713 -0.829 -0.714 1.00 0.00 C ATOM 1484 CE1 PHE A 93 9.532 -0.721 1.358 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.410 -0.121 0.433 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.321 -0.067 1.471 1.00 0.00 C ATOM 0 H PHE A 93 9.555 -3.892 -3.924 1.00 0.00 H new ATOM 0 HA PHE A 93 10.558 -3.748 -1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.071 -1.760 -2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.389 -2.225 -2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 93 10.778 -1.936 0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.997 -0.868 -1.522 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.246 -0.681 2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.462 0.390 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.086 0.486 2.369 1.00 0.00 H new ATOM 1496 N THR A 94 7.419 -4.709 -1.660 1.00 0.00 N ATOM 1497 CA THR A 94 6.304 -5.364 -0.982 1.00 0.00 C ATOM 1498 C THR A 94 6.708 -6.729 -0.436 1.00 0.00 C ATOM 1499 O THR A 94 6.404 -7.061 0.710 1.00 0.00 O ATOM 1500 CB THR A 94 5.094 -5.539 -1.919 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.501 -6.181 -3.133 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.460 -4.194 -2.236 1.00 0.00 C ATOM 0 H THR A 94 7.257 -4.515 -2.648 1.00 0.00 H new ATOM 0 HA THR A 94 6.022 -4.714 -0.153 1.00 0.00 H new ATOM 0 HB THR A 94 4.356 -6.161 -1.413 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.473 -6.108 -3.231 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.607 -4.341 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.124 -3.723 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.193 -3.552 -2.724 1.00 0.00 H new ATOM 1510 N THR A 95 7.394 -7.516 -1.260 1.00 0.00 N ATOM 1511 CA THR A 95 7.838 -8.845 -0.855 1.00 0.00 C ATOM 1512 C THR A 95 8.667 -8.785 0.424 1.00 0.00 C ATOM 1513 O THR A 95 8.444 -9.555 1.358 1.00 0.00 O ATOM 1514 CB THR A 95 8.671 -9.517 -1.959 1.00 0.00 C ATOM 1515 OG1 THR A 95 9.750 -8.661 -2.350 1.00 0.00 O ATOM 1516 CG2 THR A 95 7.808 -9.838 -3.171 1.00 0.00 C ATOM 0 H THR A 95 7.654 -7.256 -2.211 1.00 0.00 H new ATOM 0 HA THR A 95 6.940 -9.436 -0.674 1.00 0.00 H new ATOM 0 HB THR A 95 9.073 -10.449 -1.562 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.548 -7.739 -2.087 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.420 -10.313 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.005 -10.514 -2.877 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.380 -8.917 -3.567 1.00 0.00 H new ATOM 1524 N THR A 96 9.624 -7.864 0.457 1.00 0.00 N ATOM 1525 CA THR A 96 10.489 -7.696 1.618 1.00 0.00 C ATOM 1526 C THR A 96 9.732 -7.060 2.782 1.00 0.00 C ATOM 1527 O THR A 96 10.041 -7.310 3.948 1.00 0.00 O ATOM 1528 CB THR A 96 11.716 -6.828 1.274 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.472 -7.444 0.224 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.605 -6.630 2.493 1.00 0.00 C ATOM 0 H THR A 96 9.820 -7.221 -0.310 1.00 0.00 H new ATOM 0 HA THR A 96 10.826 -8.689 1.914 1.00 0.00 H new ATOM 0 HB THR A 96 11.359 -5.852 0.944 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.103 -7.178 -0.644 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.463 -6.014 2.222 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.037 -6.135 3.281 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.953 -7.599 2.851 1.00 0.00 H new ATOM 1538 N LEU A 97 8.734 -6.243 2.457 1.00 0.00 N ATOM 1539 CA LEU A 97 7.935 -5.563 3.472 1.00 0.00 C ATOM 1540 C LEU A 97 7.110 -6.561 4.280 1.00 0.00 C ATOM 1541 O LEU A 97 7.016 -6.450 5.503 1.00 0.00 O ATOM 1542 CB LEU A 97 7.014 -4.532 2.814 1.00 0.00 C ATOM 1543 CG LEU A 97 6.730 -3.278 3.646 1.00 0.00 C ATOM 1544 CD1 LEU A 97 5.941 -2.269 2.827 1.00 0.00 C ATOM 1545 CD2 LEU A 97 5.972 -3.632 4.917 1.00 0.00 C ATOM 0 H LEU A 97 8.459 -6.036 1.497 1.00 0.00 H new ATOM 0 HA LEU A 97 8.615 -5.052 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.458 -4.226 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.065 -5.015 2.580 1.00 0.00 H new ATOM 0 HG LEU A 97 7.684 -2.833 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.746 -1.383 3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.516 -1.988 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.995 -2.712 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.782 -2.725 5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.024 -4.102 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.567 -4.322 5.515 1.00 0.00 H new ATOM 1557 N GLN A 98 6.512 -7.532 3.593 1.00 0.00 N ATOM 1558 CA GLN A 98 5.691 -8.543 4.253 1.00 0.00 C ATOM 1559 C GLN A 98 6.454 -9.205 5.393 1.00 0.00 C ATOM 1560 O GLN A 98 5.865 -9.617 6.392 1.00 0.00 O ATOM 1561 CB GLN A 98 5.229 -9.599 3.246 1.00 0.00 C ATOM 1562 CG GLN A 98 4.255 -9.064 2.208 1.00 0.00 C ATOM 1563 CD GLN A 98 3.787 -10.129 1.235 1.00 0.00 C ATOM 1564 OE1 GLN A 98 3.488 -9.837 0.076 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.714 -11.372 1.699 1.00 0.00 N ATOM 0 H GLN A 98 6.581 -7.640 2.581 1.00 0.00 H new ATOM 0 HA GLN A 98 4.815 -8.046 4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.101 -10.010 2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.758 -10.421 3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.390 -8.637 2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.731 -8.256 1.653 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.971 -11.571 2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.401 -12.127 1.088 1.00 0.00 H new ATOM 1574 N HIS A 99 7.767 -9.301 5.234 1.00 0.00 N ATOM 1575 CA HIS A 99 8.620 -9.897 6.252 1.00 0.00 C ATOM 1576 C HIS A 99 9.003 -8.853 7.296 1.00 0.00 C ATOM 1577 O HIS A 99 8.966 -9.113 8.502 1.00 0.00 O ATOM 1578 CB HIS A 99 9.874 -10.493 5.604 1.00 0.00 C ATOM 1579 CG HIS A 99 10.973 -10.802 6.572 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.788 -11.554 7.713 1.00 0.00 N ATOM 1581 CD2 HIS A 99 12.282 -10.452 6.562 1.00 0.00 C ATOM 1582 CE1 HIS A 99 11.934 -11.650 8.365 1.00 0.00 C ATOM 1583 NE2 HIS A 99 12.856 -10.992 7.687 1.00 0.00 N ATOM 0 H HIS A 99 8.265 -8.973 4.407 1.00 0.00 H new ATOM 0 HA HIS A 99 8.071 -10.697 6.749 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.599 -11.408 5.079 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.249 -9.796 4.855 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.781 -9.859 5.810 1.00 0.00 H new ATOM 0 HE1 HIS A 99 12.090 -12.177 9.295 1.00 0.00 H new ATOM 0 HE2 HIS A 99 13.836 -10.900 7.955 1.00 0.00 H new ATOM 1592 N HIS A 100 9.343 -7.659 6.823 1.00 0.00 N ATOM 1593 CA HIS A 100 9.734 -6.573 7.710 1.00 0.00 C ATOM 1594 C HIS A 100 8.529 -6.041 8.473 1.00 0.00 C ATOM 1595 O HIS A 100 8.655 -5.135 9.296 1.00 0.00 O ATOM 1596 CB HIS A 100 10.400 -5.444 6.921 1.00 0.00 C ATOM 1597 CG HIS A 100 11.830 -5.725 6.572 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.865 -4.873 6.898 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.397 -6.771 5.924 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.005 -5.382 6.465 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.748 -6.533 5.872 1.00 0.00 N ATOM 0 H HIS A 100 9.355 -7.420 5.831 1.00 0.00 H new ATOM 0 HA HIS A 100 10.454 -6.966 8.428 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.837 -5.271 6.004 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.350 -4.525 7.504 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.882 -7.632 5.523 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.981 -4.933 6.577 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.441 -7.147 5.444 1.00 0.00 H new ATOM 1610 N LYS A 101 7.359 -6.609 8.193 1.00 0.00 N ATOM 1611 CA LYS A 101 6.136 -6.196 8.866 1.00 0.00 C ATOM 1612 C LYS A 101 6.235 -6.489 10.358 1.00 0.00 C ATOM 1613 O LYS A 101 5.507 -5.912 11.166 1.00 0.00 O ATOM 1614 CB LYS A 101 4.924 -6.915 8.268 1.00 0.00 C ATOM 1615 CG LYS A 101 3.596 -6.446 8.844 1.00 0.00 C ATOM 1616 CD LYS A 101 2.424 -7.229 8.271 1.00 0.00 C ATOM 1617 CE LYS A 101 2.445 -8.681 8.723 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.249 -9.429 8.246 1.00 0.00 N ATOM 0 H LYS A 101 7.234 -7.354 7.507 1.00 0.00 H new ATOM 0 HA LYS A 101 6.007 -5.123 8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.917 -6.763 7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.027 -7.987 8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.611 -6.556 9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.462 -5.385 8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.488 -6.764 8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.455 -7.186 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.348 -9.164 8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.488 -8.722 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.302 -10.414 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.388 -8.984 8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.221 -9.412 7.207 1.00 0.00 H new ATOM 1632 N ASP A 102 7.145 -7.391 10.715 1.00 0.00 N ATOM 1633 CA ASP A 102 7.348 -7.760 12.113 1.00 0.00 C ATOM 1634 C ASP A 102 8.113 -6.670 12.858 1.00 0.00 C ATOM 1635 O ASP A 102 8.093 -6.614 14.089 1.00 0.00 O ATOM 1636 CB ASP A 102 8.102 -9.087 12.209 1.00 0.00 C ATOM 1637 CG ASP A 102 7.328 -10.236 11.592 1.00 0.00 C ATOM 1638 OD1 ASP A 102 7.388 -10.396 10.355 1.00 0.00 O ATOM 1639 OD2 ASP A 102 6.661 -10.975 12.346 1.00 0.00 O ATOM 0 H ASP A 102 7.753 -7.879 10.057 1.00 0.00 H new ATOM 0 HA ASP A 102 6.369 -7.874 12.578 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.066 -8.991 11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.307 -9.311 13.256 1.00 0.00 H new ATOM 1644 N GLU A 103 8.786 -5.806 12.105 1.00 0.00 N ATOM 1645 CA GLU A 103 9.560 -4.717 12.692 1.00 0.00 C ATOM 1646 C GLU A 103 8.859 -3.377 12.483 1.00 0.00 C ATOM 1647 O GLU A 103 8.489 -2.704 13.445 1.00 0.00 O ATOM 1648 CB GLU A 103 10.962 -4.674 12.079 1.00 0.00 C ATOM 1649 CG GLU A 103 11.844 -3.573 12.649 1.00 0.00 C ATOM 1650 CD GLU A 103 13.225 -3.551 12.023 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.387 -2.911 10.963 1.00 0.00 O ATOM 1652 OE2 GLU A 103 14.145 -4.173 12.594 1.00 0.00 O ATOM 0 H GLU A 103 8.811 -5.839 11.086 1.00 0.00 H new ATOM 0 HA GLU A 103 9.644 -4.899 13.763 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.448 -5.636 12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.874 -4.536 11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.362 -2.608 12.491 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.939 -3.710 13.726 1.00 0.00 H new ATOM 1659 N VAL A 104 8.685 -2.998 11.220 1.00 0.00 N ATOM 1660 CA VAL A 104 8.029 -1.740 10.878 1.00 0.00 C ATOM 1661 C VAL A 104 6.644 -1.655 11.517 1.00 0.00 C ATOM 1662 O VAL A 104 6.054 -2.677 11.871 1.00 0.00 O ATOM 1663 CB VAL A 104 7.898 -1.576 9.350 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.817 -2.495 8.797 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.614 -0.127 8.986 1.00 0.00 C ATOM 0 H VAL A 104 8.990 -3.545 10.415 1.00 0.00 H new ATOM 0 HA VAL A 104 8.652 -0.935 11.267 1.00 0.00 H new ATOM 0 HB VAL A 104 8.847 -1.860 8.896 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.743 -2.362 7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.073 -3.531 9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.860 -2.251 9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.525 -0.034 7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.682 0.190 9.455 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.430 0.503 9.338 1.00 0.00 H new ATOM 1675 N ALA A 105 6.133 -0.436 11.663 1.00 0.00 N ATOM 1676 CA ALA A 105 4.820 -0.226 12.259 1.00 0.00 C ATOM 1677 C ALA A 105 3.753 -1.034 11.529 1.00 0.00 C ATOM 1678 O ALA A 105 3.373 -0.707 10.404 1.00 0.00 O ATOM 1679 CB ALA A 105 4.464 1.253 12.250 1.00 0.00 C ATOM 0 H ALA A 105 6.609 0.420 11.377 1.00 0.00 H new ATOM 0 HA ALA A 105 4.858 -0.571 13.292 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.480 1.393 12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.206 1.809 12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.450 1.618 11.223 1.00 0.00 H new ATOM 1685 N GLY A 106 3.277 -2.093 12.177 1.00 0.00 N ATOM 1686 CA GLY A 106 2.260 -2.936 11.577 1.00 0.00 C ATOM 1687 C GLY A 106 0.941 -2.215 11.391 1.00 0.00 C ATOM 1688 O GLY A 106 0.188 -2.514 10.465 1.00 0.00 O ATOM 0 H GLY A 106 3.578 -2.382 13.108 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.614 -3.294 10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.105 -3.814 12.204 1.00 0.00 H new ATOM 1692 N ASP A 107 0.660 -1.263 12.276 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.580 -0.498 12.210 1.00 0.00 C ATOM 1694 C ASP A 107 -0.664 0.314 10.920 1.00 0.00 C ATOM 1695 O ASP A 107 -1.733 0.435 10.323 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.694 0.433 13.419 1.00 0.00 C ATOM 1697 CG ASP A 107 0.449 1.425 13.495 1.00 0.00 C ATOM 1698 OD1 ASP A 107 1.533 1.045 13.988 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.261 2.583 13.066 1.00 0.00 O ATOM 0 H ASP A 107 1.275 -1.003 13.047 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.409 -1.206 12.221 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.639 0.975 13.369 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.716 -0.162 14.332 1.00 0.00 H new ATOM 1704 N ILE A 108 0.468 0.867 10.493 1.00 0.00 N ATOM 1705 CA ILE A 108 0.509 1.672 9.277 1.00 0.00 C ATOM 1706 C ILE A 108 0.415 0.799 8.028 1.00 0.00 C ATOM 1707 O ILE A 108 -0.397 1.058 7.140 1.00 0.00 O ATOM 1708 CB ILE A 108 1.800 2.513 9.204 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.898 3.440 10.420 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.839 3.317 7.909 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.203 4.203 10.500 1.00 0.00 C ATOM 0 H ILE A 108 1.365 0.773 10.969 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.352 2.339 9.314 1.00 0.00 H new ATOM 0 HB ILE A 108 2.657 1.840 9.214 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.073 4.151 10.391 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.777 2.848 11.327 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.756 3.905 7.873 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.810 2.637 7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.978 3.985 7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.200 4.838 11.386 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.033 3.499 10.561 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.318 4.822 9.610 1.00 0.00 H new ATOM 1723 N PHE A 109 1.244 -0.239 7.969 1.00 0.00 N ATOM 1724 CA PHE A 109 1.250 -1.141 6.824 1.00 0.00 C ATOM 1725 C PHE A 109 -0.076 -1.886 6.702 1.00 0.00 C ATOM 1726 O PHE A 109 -0.481 -2.256 5.603 1.00 0.00 O ATOM 1727 CB PHE A 109 2.406 -2.141 6.910 1.00 0.00 C ATOM 1728 CG PHE A 109 2.464 -3.082 5.737 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.453 -2.593 4.439 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.520 -4.452 5.933 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.496 -3.454 3.358 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.565 -5.318 4.856 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.553 -4.818 3.567 1.00 0.00 C ATOM 0 H PHE A 109 1.917 -0.475 8.698 1.00 0.00 H new ATOM 0 HA PHE A 109 1.388 -0.529 5.932 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.347 -1.594 6.976 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.309 -2.721 7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.410 -1.527 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.529 -4.848 6.938 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.485 -3.061 2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.609 -6.384 5.022 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.588 -5.493 2.725 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.745 -2.097 7.834 1.00 0.00 N ATOM 1744 CA ASP A 110 -2.020 -2.811 7.851 1.00 0.00 C ATOM 1745 C ASP A 110 -2.967 -2.268 6.785 1.00 0.00 C ATOM 1746 O ASP A 110 -3.801 -3.001 6.252 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.672 -2.701 9.231 1.00 0.00 C ATOM 1748 CG ASP A 110 -4.027 -3.379 9.286 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.072 -4.593 9.573 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -5.042 -2.694 9.043 1.00 0.00 O ATOM 0 H ASP A 110 -0.426 -1.784 8.751 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.820 -3.860 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.015 -3.148 9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.784 -1.649 9.494 1.00 0.00 H new ATOM 1755 N MET A 111 -2.833 -0.983 6.475 1.00 0.00 N ATOM 1756 CA MET A 111 -3.664 -0.355 5.456 1.00 0.00 C ATOM 1757 C MET A 111 -3.242 -0.836 4.071 1.00 0.00 C ATOM 1758 O MET A 111 -4.068 -1.282 3.272 1.00 0.00 O ATOM 1759 CB MET A 111 -3.556 1.171 5.552 1.00 0.00 C ATOM 1760 CG MET A 111 -4.307 1.917 4.458 1.00 0.00 C ATOM 1761 SD MET A 111 -3.308 2.175 2.977 1.00 0.00 S ATOM 1762 CE MET A 111 -2.025 3.249 3.617 1.00 0.00 C ATOM 0 H MET A 111 -2.158 -0.357 6.914 1.00 0.00 H new ATOM 0 HA MET A 111 -4.704 -0.638 5.621 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.936 1.491 6.522 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.504 1.453 5.513 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.204 1.358 4.193 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.635 2.883 4.842 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.489 3.710 2.787 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.476 4.026 4.234 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.329 2.665 4.219 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.942 -0.753 3.806 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.383 -1.183 2.530 1.00 0.00 C ATOM 1774 C LEU A 112 -1.523 -2.691 2.364 1.00 0.00 C ATOM 1775 O LEU A 112 -1.517 -3.208 1.249 1.00 0.00 O ATOM 1776 CB LEU A 112 0.089 -0.779 2.434 1.00 0.00 C ATOM 1777 CG LEU A 112 0.357 0.728 2.457 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.853 1.002 2.472 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.297 1.405 1.261 1.00 0.00 C ATOM 0 H LEU A 112 -1.252 -0.389 4.463 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.937 -0.693 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.630 -1.240 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.502 -1.191 1.513 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.079 1.141 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.026 2.078 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.297 0.550 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.310 0.575 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.096 2.476 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.109 0.988 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.374 1.237 1.292 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.654 -3.386 3.488 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.784 -4.838 3.498 1.00 0.00 C ATOM 1793 C LEU A 113 -2.871 -5.301 2.534 1.00 0.00 C ATOM 1794 O LEU A 113 -2.824 -6.422 2.025 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.092 -5.325 4.916 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.959 -6.834 5.135 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.533 -7.292 4.865 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.379 -7.202 6.550 1.00 0.00 C ATOM 0 H LEU A 113 -1.673 -2.961 4.415 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.838 -5.267 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.425 -4.814 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.108 -5.026 5.172 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.619 -7.344 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.460 -8.367 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.266 -7.061 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.149 -6.776 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.279 -8.278 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.742 -6.682 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.417 -6.910 6.709 1.00 0.00 H new ATOM 1810 N THR A 114 -3.852 -4.435 2.292 1.00 0.00 N ATOM 1811 CA THR A 114 -4.954 -4.755 1.388 1.00 0.00 C ATOM 1812 C THR A 114 -4.468 -5.053 -0.034 1.00 0.00 C ATOM 1813 O THR A 114 -5.276 -5.317 -0.925 1.00 0.00 O ATOM 1814 CB THR A 114 -5.978 -3.606 1.330 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.339 -2.403 0.887 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.612 -3.377 2.693 1.00 0.00 C ATOM 0 H THR A 114 -3.906 -3.506 2.709 1.00 0.00 H new ATOM 0 HA THR A 114 -5.427 -5.651 1.791 1.00 0.00 H new ATOM 0 HB THR A 114 -6.762 -3.882 0.625 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.891 -1.972 1.645 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.332 -2.561 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.122 -4.285 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.838 -3.120 3.416 1.00 0.00 H new ATOM 1824 N PHE A 115 -3.153 -5.008 -0.245 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.582 -5.280 -1.563 1.00 0.00 C ATOM 1826 C PHE A 115 -2.832 -6.726 -1.984 1.00 0.00 C ATOM 1827 O PHE A 115 -3.014 -7.011 -3.168 1.00 0.00 O ATOM 1828 CB PHE A 115 -1.072 -4.997 -1.572 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.709 -3.537 -1.681 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.424 -2.685 -2.510 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.357 -3.022 -0.959 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -1.083 -1.350 -2.615 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.701 -1.686 -1.059 1.00 0.00 C ATOM 1834 CZ PHE A 115 -0.020 -0.849 -1.889 1.00 0.00 C ATOM 0 H PHE A 115 -2.466 -4.787 0.476 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.074 -4.617 -2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.634 -5.400 -0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.620 -5.534 -2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.257 -3.070 -3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.926 -3.672 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.648 -0.698 -3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.532 -1.298 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.247 0.194 -1.970 1.00 0.00 H new ATOM 1844 N THR A 116 -2.845 -7.635 -1.012 1.00 0.00 N ATOM 1845 CA THR A 116 -3.067 -9.049 -1.298 1.00 0.00 C ATOM 1846 C THR A 116 -4.053 -9.678 -0.317 1.00 0.00 C ATOM 1847 O THR A 116 -4.801 -10.587 -0.676 1.00 0.00 O ATOM 1848 CB THR A 116 -1.749 -9.845 -1.255 1.00 0.00 C ATOM 1849 OG1 THR A 116 -2.013 -11.241 -1.441 1.00 0.00 O ATOM 1850 CG2 THR A 116 -1.026 -9.632 0.066 1.00 0.00 C ATOM 0 H THR A 116 -2.705 -7.419 -0.025 1.00 0.00 H new ATOM 0 HA THR A 116 -3.487 -9.095 -2.303 1.00 0.00 H new ATOM 0 HB THR A 116 -1.109 -9.485 -2.061 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.170 -11.740 -1.414 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.099 -10.205 0.070 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.799 -8.573 0.190 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.662 -9.965 0.886 1.00 0.00 H new ATOM 1858 N ASP A 117 -4.053 -9.190 0.919 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.946 -9.717 1.946 1.00 0.00 C ATOM 1860 C ASP A 117 -6.401 -9.376 1.642 1.00 0.00 C ATOM 1861 O ASP A 117 -6.904 -8.330 2.055 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.554 -9.175 3.321 1.00 0.00 C ATOM 1863 CG ASP A 117 -3.210 -9.701 3.784 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -2.181 -9.280 3.215 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -3.185 -10.533 4.715 1.00 0.00 O ATOM 0 H ASP A 117 -3.447 -8.433 1.234 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.847 -10.802 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.523 -8.086 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.319 -9.448 4.048 1.00 0.00 H new ATOM 1870 N PHE A 118 -7.070 -10.269 0.917 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.469 -10.073 0.556 1.00 0.00 C ATOM 1872 C PHE A 118 -9.330 -9.907 1.803 1.00 0.00 C ATOM 1873 O PHE A 118 -10.275 -9.117 1.817 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.971 -11.259 -0.271 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.380 -11.098 -0.767 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.633 -10.481 -1.981 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.451 -11.565 -0.020 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.927 -10.332 -2.443 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.747 -11.420 -0.476 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.985 -10.803 -1.689 1.00 0.00 C ATOM 0 H PHE A 118 -6.664 -11.137 0.568 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.545 -9.164 -0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.309 -11.401 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.910 -12.164 0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.809 -10.112 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.270 -12.048 0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.111 -9.849 -3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.573 -11.788 0.115 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.997 -10.689 -2.048 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.997 -10.660 2.846 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.737 -10.598 4.102 1.00 0.00 C ATOM 1892 C LEU A 119 -9.677 -9.195 4.694 1.00 0.00 C ATOM 1893 O LEU A 119 -10.657 -8.703 5.252 1.00 0.00 O ATOM 1894 CB LEU A 119 -9.173 -11.614 5.099 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.920 -11.702 6.433 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -11.351 -12.170 6.216 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -9.192 -12.638 7.388 1.00 0.00 C ATOM 0 H LEU A 119 -8.220 -11.320 2.847 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.779 -10.842 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.179 -12.599 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.132 -11.362 5.300 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.949 -10.707 6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.865 -12.226 7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.870 -11.465 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.345 -13.155 5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.735 -12.690 8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.133 -13.633 6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.185 -12.262 7.569 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.517 -8.555 4.569 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.326 -7.206 5.087 1.00 0.00 C ATOM 1911 C ALA A 120 -8.985 -6.173 4.180 1.00 0.00 C ATOM 1912 O ALA A 120 -9.407 -5.110 4.634 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.842 -6.906 5.242 1.00 0.00 C ATOM 0 H ALA A 120 -7.695 -8.951 4.113 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.801 -7.147 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.714 -5.895 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.397 -7.620 5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.351 -6.988 4.272 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.068 -6.497 2.893 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.671 -5.603 1.910 1.00 0.00 C ATOM 1921 C PHE A 121 -11.167 -5.442 2.173 1.00 0.00 C ATOM 1922 O PHE A 121 -11.668 -4.324 2.322 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.436 -6.156 0.501 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.645 -5.156 -0.602 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.103 -3.883 -0.521 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.375 -5.498 -1.730 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.288 -2.969 -1.540 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.562 -4.588 -2.753 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.017 -3.322 -2.658 1.00 0.00 C ATOM 0 H PHE A 121 -8.724 -7.376 2.506 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.204 -4.621 1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.417 -6.539 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.105 -7.002 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.529 -3.602 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.802 -6.487 -1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.863 -1.979 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.134 -4.866 -3.626 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.161 -2.610 -3.457 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.872 -6.567 2.243 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.307 -6.554 2.495 1.00 0.00 C ATOM 1941 C LYS A 122 -13.601 -6.002 3.886 1.00 0.00 C ATOM 1942 O LYS A 122 -14.530 -5.216 4.069 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.883 -7.964 2.354 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.394 -8.027 2.510 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.924 -9.426 2.242 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.441 -9.478 2.343 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.971 -10.838 2.053 1.00 0.00 N ATOM 0 H LYS A 122 -11.472 -7.498 2.129 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.781 -5.906 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.611 -8.362 1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.423 -8.611 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.670 -7.719 3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.861 -7.322 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.613 -9.749 1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.487 -10.124 2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.749 -9.174 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.876 -8.763 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.474 -10.828 1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.183 -11.515 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.627 -11.123 2.808 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.798 -6.420 4.860 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.963 -5.967 6.237 1.00 0.00 C ATOM 1963 C GLU A 123 -12.752 -4.459 6.331 1.00 0.00 C ATOM 1964 O GLU A 123 -13.331 -3.793 7.190 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.978 -6.691 7.156 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.137 -6.337 8.625 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.491 -6.734 9.179 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -13.621 -7.875 9.671 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -14.423 -5.904 9.120 1.00 0.00 O ATOM 0 H GLU A 123 -12.026 -7.072 4.721 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.979 -6.199 6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.106 -7.767 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.961 -6.454 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.354 -6.831 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -11.997 -5.264 8.753 1.00 0.00 H new ATOM 1976 N MET A 124 -11.916 -3.930 5.443 1.00 0.00 N ATOM 1977 CA MET A 124 -11.629 -2.501 5.420 1.00 0.00 C ATOM 1978 C MET A 124 -12.866 -1.712 5.006 1.00 0.00 C ATOM 1979 O MET A 124 -13.189 -0.686 5.604 1.00 0.00 O ATOM 1980 CB MET A 124 -10.473 -2.203 4.464 1.00 0.00 C ATOM 1981 CG MET A 124 -10.099 -0.730 4.402 1.00 0.00 C ATOM 1982 SD MET A 124 -8.772 -0.398 3.229 1.00 0.00 S ATOM 1983 CE MET A 124 -9.537 -0.913 1.694 1.00 0.00 C ATOM 0 H MET A 124 -11.426 -4.470 4.730 1.00 0.00 H new ATOM 0 HA MET A 124 -11.341 -2.195 6.426 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.600 -2.778 4.772 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.742 -2.543 3.464 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.978 -0.148 4.125 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.794 -0.395 5.393 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.034 -0.429 0.857 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.454 -1.995 1.591 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.589 -0.629 1.699 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.553 -2.198 3.976 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.760 -1.540 3.485 1.00 0.00 C ATOM 1995 C PHE A 125 -15.866 -1.557 4.536 1.00 0.00 C ATOM 1996 O PHE A 125 -16.460 -0.524 4.842 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.251 -2.214 2.203 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.324 -2.032 1.037 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.013 -0.763 0.576 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.763 -3.127 0.403 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.160 -0.591 -0.496 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.909 -2.961 -0.670 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.607 -1.691 -1.120 1.00 0.00 C ATOM 0 H PHE A 125 -13.295 -3.043 3.466 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.508 -0.502 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.382 -3.280 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.231 -1.813 1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.443 0.101 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.996 -4.123 0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.926 0.403 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.478 -3.824 -1.156 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.939 -1.559 -1.959 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.140 -2.739 5.083 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.179 -2.892 6.100 1.00 0.00 C ATOM 2015 C LEU A 126 -16.878 -2.037 7.328 1.00 0.00 C ATOM 2016 O LEU A 126 -17.792 -1.551 7.995 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.318 -4.364 6.501 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.215 -5.208 5.590 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.678 -5.232 4.167 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.341 -6.621 6.137 1.00 0.00 C ATOM 0 H LEU A 126 -15.658 -3.604 4.840 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.122 -2.551 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.325 -4.813 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.712 -4.411 7.516 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.205 -4.752 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.333 -5.838 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.640 -4.216 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.675 -5.660 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.981 -7.210 5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.354 -7.080 6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.778 -6.587 7.135 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.594 -1.858 7.625 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.181 -1.054 8.769 1.00 0.00 C ATOM 2034 C ASP A 127 -15.480 0.421 8.519 1.00 0.00 C ATOM 2035 O ASP A 127 -16.118 1.086 9.338 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.689 -1.247 9.043 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.221 -0.487 10.270 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.283 -1.057 11.379 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -12.794 0.677 10.120 1.00 0.00 O ATOM 0 H ASP A 127 -14.823 -2.258 7.090 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.745 -1.382 9.642 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.482 -2.309 9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.118 -0.917 8.175 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.016 0.922 7.378 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.234 2.315 7.008 1.00 0.00 C ATOM 2046 C TYR A 128 -16.725 2.626 6.961 1.00 0.00 C ATOM 2047 O TYR A 128 -17.148 3.736 7.281 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.589 2.611 5.650 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.739 4.049 5.199 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -13.955 5.055 5.752 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.660 4.398 4.219 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.087 6.368 5.341 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -15.797 5.709 3.803 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.009 6.690 4.367 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.141 7.996 3.953 1.00 0.00 O ATOM 0 H TYR A 128 -14.486 0.383 6.693 1.00 0.00 H new ATOM 0 HA TYR A 128 -14.770 2.950 7.763 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.528 2.366 5.702 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.031 1.957 4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.232 4.807 6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.279 3.632 3.775 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.471 7.138 5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.518 5.964 3.040 1.00 0.00 H new ATOM 0 HH TYR A 128 -15.833 8.051 3.261 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.518 1.633 6.564 1.00 0.00 N ATOM 2066 CA ARG A 129 -18.965 1.795 6.479 1.00 0.00 C ATOM 2067 C ARG A 129 -19.561 2.028 7.863 1.00 0.00 C ATOM 2068 O ARG A 129 -20.342 2.957 8.066 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.600 0.558 5.838 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.106 0.670 5.666 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.688 -0.578 5.018 1.00 0.00 C ATOM 2072 NE ARG A 129 -21.472 -1.771 5.834 1.00 0.00 N ATOM 2073 CZ ARG A 129 -21.800 -3.001 5.446 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -22.357 -3.201 4.258 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -21.570 -4.032 6.247 1.00 0.00 N ATOM 0 H ARG A 129 -17.181 0.708 6.296 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.177 2.665 5.858 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.143 0.388 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.376 -0.315 6.451 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.573 0.828 6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.340 1.541 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -22.757 -0.438 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.234 -0.723 4.038 1.00 0.00 H new ATOM 0 HE ARG A 129 -21.046 -1.654 6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.535 -2.410 3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -22.607 -4.145 3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -21.142 -3.882 7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -21.821 -4.975 5.950 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.183 1.173 8.809 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.673 1.276 10.178 1.00 0.00 C ATOM 2091 C ALA A 130 -19.387 2.653 10.763 1.00 0.00 C ATOM 2092 O ALA A 130 -20.155 3.165 11.578 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.044 0.196 11.045 1.00 0.00 C ATOM 0 H ALA A 130 -18.537 0.400 8.651 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.754 1.134 10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.418 0.284 12.065 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.302 -0.786 10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -17.960 0.314 11.045 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.272 3.246 10.344 1.00 0.00 N ATOM 2100 CA GLU A 131 -17.884 4.568 10.824 1.00 0.00 C ATOM 2101 C GLU A 131 -18.987 5.593 10.573 1.00 0.00 C ATOM 2102 O GLU A 131 -19.309 6.394 11.450 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.587 5.020 10.149 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.382 4.169 10.518 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.083 4.195 12.005 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.344 5.101 12.447 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.588 3.311 12.728 1.00 0.00 O ATOM 0 H GLU A 131 -17.623 2.832 9.675 1.00 0.00 H new ATOM 0 HA GLU A 131 -17.722 4.498 11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.722 4.995 9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.387 6.056 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.559 3.140 10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -14.510 4.524 9.969 1.00 0.00 H new