USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 114 THR OG1 : rot -82:sc= 0.653 USER MOD Set 2.1: A 45 MET CE :methyl 136:sc= -0.256 (180deg=-1.12) USER MOD Set 2.2: A 124 MET CE :methyl 161:sc= -0.107 (180deg=-0.616) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 159:sc= -0.154 (180deg=-0.741) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 43 ASN : amide:sc= -2.94! C(o=-2.9!,f=-3.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -145:sc= -0.0266 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0715 (180deg=-0.338) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Single : A 71 SER OG : rot 79:sc= 0.256 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -2:sc= 1.15 USER MOD Single : A 80 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.2) USER MOD Single : A 83 GLN : amide:sc= -0.952 K(o=-0.95,f=0) USER MOD Single : A 89 ASN : amide:sc= -1.09! C(o=-1.1!,f=-3.1!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -82:sc= 0.665 USER MOD Single : A 95 THR OG1 : rot 0:sc= -0.607 USER MOD Single : A 96 THR OG1 : rot 86:sc= 0.493 USER MOD Single : A 98 GLN : amide:sc= -2.36 K(o=-2.4,f=-3!) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HE2:sc= 0.0132 K(o=0.013,f=-1.2) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 140:sc= -0.275 (180deg=-2.88!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 20.403 2.170 4.563 1.00 0.00 N ATOM 243 CA ALA A 19 19.680 3.350 5.021 1.00 0.00 C ATOM 244 C ALA A 19 18.557 3.724 4.058 1.00 0.00 C ATOM 245 O ALA A 19 17.593 4.385 4.444 1.00 0.00 O ATOM 246 CB ALA A 19 20.640 4.518 5.191 1.00 0.00 C ATOM 0 HA ALA A 19 19.228 3.115 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.090 5.394 5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.402 4.258 5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.117 4.739 4.236 1.00 0.00 H new ATOM 252 N GLU A 20 18.689 3.300 2.804 1.00 0.00 N ATOM 253 CA GLU A 20 17.689 3.602 1.783 1.00 0.00 C ATOM 254 C GLU A 20 16.306 3.110 2.200 1.00 0.00 C ATOM 255 O GLU A 20 15.314 3.820 2.030 1.00 0.00 O ATOM 256 CB GLU A 20 18.084 2.976 0.444 1.00 0.00 C ATOM 257 CG GLU A 20 17.196 3.409 -0.711 1.00 0.00 C ATOM 258 CD GLU A 20 17.633 2.818 -2.037 1.00 0.00 C ATOM 259 OE1 GLU A 20 18.670 3.260 -2.572 1.00 0.00 O ATOM 260 OE2 GLU A 20 16.936 1.910 -2.540 1.00 0.00 O ATOM 0 H GLU A 20 19.478 2.747 2.470 1.00 0.00 H new ATOM 0 HA GLU A 20 17.647 4.685 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.117 3.242 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.047 1.890 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.168 3.110 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.204 4.497 -0.782 1.00 0.00 H new ATOM 267 N PHE A 21 16.241 1.896 2.741 1.00 0.00 N ATOM 268 CA PHE A 21 14.973 1.322 3.181 1.00 0.00 C ATOM 269 C PHE A 21 14.247 2.276 4.125 1.00 0.00 C ATOM 270 O PHE A 21 13.060 2.553 3.949 1.00 0.00 O ATOM 271 CB PHE A 21 15.205 -0.027 3.873 1.00 0.00 C ATOM 272 CG PHE A 21 13.947 -0.670 4.393 1.00 0.00 C ATOM 273 CD1 PHE A 21 13.203 -1.523 3.591 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.508 -0.421 5.685 1.00 0.00 C ATOM 275 CE1 PHE A 21 12.048 -2.114 4.069 1.00 0.00 C ATOM 276 CE2 PHE A 21 12.354 -1.009 6.167 1.00 0.00 C ATOM 277 CZ PHE A 21 11.622 -1.857 5.357 1.00 0.00 C ATOM 0 H PHE A 21 17.050 1.292 2.885 1.00 0.00 H new ATOM 0 HA PHE A 21 14.350 1.163 2.301 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.685 -0.707 3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.898 0.115 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.530 -1.728 2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.075 0.241 6.322 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.479 -2.777 3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.024 -0.806 7.175 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.719 -2.317 5.731 1.00 0.00 H new ATOM 287 N ASP A 22 14.968 2.777 5.123 1.00 0.00 N ATOM 288 CA ASP A 22 14.396 3.702 6.095 1.00 0.00 C ATOM 289 C ASP A 22 13.850 4.946 5.401 1.00 0.00 C ATOM 290 O ASP A 22 12.792 5.462 5.768 1.00 0.00 O ATOM 291 CB ASP A 22 15.449 4.103 7.130 1.00 0.00 C ATOM 292 CG ASP A 22 14.875 4.972 8.231 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.772 6.200 8.026 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.528 4.425 9.299 1.00 0.00 O ATOM 0 H ASP A 22 15.952 2.557 5.280 1.00 0.00 H new ATOM 0 HA ASP A 22 13.573 3.197 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.884 3.205 7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.258 4.638 6.633 1.00 0.00 H new ATOM 299 N ALA A 23 14.579 5.421 4.397 1.00 0.00 N ATOM 300 CA ALA A 23 14.172 6.602 3.649 1.00 0.00 C ATOM 301 C ALA A 23 12.803 6.398 3.010 1.00 0.00 C ATOM 302 O ALA A 23 11.933 7.264 3.096 1.00 0.00 O ATOM 303 CB ALA A 23 15.209 6.938 2.588 1.00 0.00 C ATOM 0 H ALA A 23 15.456 5.005 4.083 1.00 0.00 H new ATOM 0 HA ALA A 23 14.099 7.438 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.892 7.823 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.169 7.133 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.311 6.099 1.900 1.00 0.00 H new ATOM 309 N VAL A 24 12.619 5.245 2.371 1.00 0.00 N ATOM 310 CA VAL A 24 11.354 4.926 1.721 1.00 0.00 C ATOM 311 C VAL A 24 10.204 4.965 2.720 1.00 0.00 C ATOM 312 O VAL A 24 9.119 5.460 2.414 1.00 0.00 O ATOM 313 CB VAL A 24 11.393 3.539 1.054 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.112 3.286 0.272 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.611 3.413 0.151 1.00 0.00 C ATOM 0 H VAL A 24 13.330 4.518 2.290 1.00 0.00 H new ATOM 0 HA VAL A 24 11.195 5.682 0.952 1.00 0.00 H new ATOM 0 HB VAL A 24 11.470 2.783 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.158 2.301 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.258 3.329 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.001 4.047 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.621 2.426 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.569 4.177 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.517 3.546 0.742 1.00 0.00 H new ATOM 325 N VAL A 25 10.447 4.437 3.918 1.00 0.00 N ATOM 326 CA VAL A 25 9.432 4.418 4.963 1.00 0.00 C ATOM 327 C VAL A 25 8.938 5.830 5.253 1.00 0.00 C ATOM 328 O VAL A 25 7.742 6.057 5.432 1.00 0.00 O ATOM 329 CB VAL A 25 9.971 3.788 6.263 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.889 3.758 7.333 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.503 2.389 5.995 1.00 0.00 C ATOM 0 H VAL A 25 11.337 4.018 4.187 1.00 0.00 H new ATOM 0 HA VAL A 25 8.604 3.809 4.600 1.00 0.00 H new ATOM 0 HB VAL A 25 10.793 4.403 6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.289 3.310 8.243 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.558 4.775 7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.044 3.168 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.880 1.959 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.701 1.763 5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.311 2.441 5.265 1.00 0.00 H new ATOM 341 N GLY A 26 9.871 6.777 5.298 1.00 0.00 N ATOM 342 CA GLY A 26 9.511 8.158 5.554 1.00 0.00 C ATOM 343 C GLY A 26 8.627 8.730 4.463 1.00 0.00 C ATOM 344 O GLY A 26 7.661 9.440 4.745 1.00 0.00 O ATOM 0 H GLY A 26 10.868 6.612 5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.994 8.226 6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.417 8.759 5.638 1.00 0.00 H new ATOM 348 N TYR A 27 8.958 8.416 3.212 1.00 0.00 N ATOM 349 CA TYR A 27 8.185 8.900 2.073 1.00 0.00 C ATOM 350 C TYR A 27 6.765 8.349 2.112 1.00 0.00 C ATOM 351 O TYR A 27 5.813 9.036 1.739 1.00 0.00 O ATOM 352 CB TYR A 27 8.863 8.506 0.759 1.00 0.00 C ATOM 353 CG TYR A 27 10.188 9.198 0.523 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.273 10.586 0.490 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.353 8.466 0.332 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.481 11.221 0.275 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.565 9.095 0.117 1.00 0.00 C ATOM 358 CZ TYR A 27 12.624 10.472 0.089 1.00 0.00 C ATOM 359 OH TYR A 27 13.828 11.102 -0.126 1.00 0.00 O ATOM 0 H TYR A 27 9.755 7.830 2.963 1.00 0.00 H new ATOM 0 HA TYR A 27 8.138 9.987 2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.021 7.428 0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.192 8.736 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.380 11.177 0.635 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.311 7.387 0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.530 12.300 0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.461 8.510 -0.028 1.00 0.00 H new ATOM 0 HH TYR A 27 14.533 10.431 -0.237 1.00 0.00 H new ATOM 369 N LEU A 28 6.628 7.105 2.564 1.00 0.00 N ATOM 370 CA LEU A 28 5.321 6.467 2.657 1.00 0.00 C ATOM 371 C LEU A 28 4.413 7.243 3.601 1.00 0.00 C ATOM 372 O LEU A 28 3.262 7.532 3.273 1.00 0.00 O ATOM 373 CB LEU A 28 5.465 5.021 3.138 1.00 0.00 C ATOM 374 CG LEU A 28 6.124 4.065 2.142 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.339 2.700 2.777 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.277 3.940 0.882 1.00 0.00 C ATOM 0 H LEU A 28 7.406 6.521 2.871 1.00 0.00 H new ATOM 0 HA LEU A 28 4.871 6.464 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.047 5.018 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.475 4.637 3.385 1.00 0.00 H new ATOM 0 HG LEU A 28 7.096 4.473 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.809 2.033 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.984 2.802 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.378 2.286 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.761 3.256 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.291 3.555 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.172 4.920 0.416 1.00 0.00 H new ATOM 388 N GLU A 29 4.942 7.580 4.774 1.00 0.00 N ATOM 389 CA GLU A 29 4.183 8.329 5.768 1.00 0.00 C ATOM 390 C GLU A 29 3.702 9.654 5.189 1.00 0.00 C ATOM 391 O GLU A 29 2.577 10.084 5.446 1.00 0.00 O ATOM 392 CB GLU A 29 5.044 8.583 7.006 1.00 0.00 C ATOM 393 CG GLU A 29 5.564 7.312 7.658 1.00 0.00 C ATOM 394 CD GLU A 29 6.468 7.592 8.842 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.688 7.758 8.632 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.955 7.645 9.980 1.00 0.00 O ATOM 0 H GLU A 29 5.893 7.346 5.058 1.00 0.00 H new ATOM 0 HA GLU A 29 3.313 7.738 6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.890 9.210 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.459 9.143 7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.720 6.705 7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.110 6.726 6.919 1.00 0.00 H new ATOM 403 N ASP A 30 4.563 10.296 4.405 1.00 0.00 N ATOM 404 CA ASP A 30 4.228 11.573 3.785 1.00 0.00 C ATOM 405 C ASP A 30 3.053 11.422 2.822 1.00 0.00 C ATOM 406 O ASP A 30 2.245 12.338 2.667 1.00 0.00 O ATOM 407 CB ASP A 30 5.442 12.139 3.046 1.00 0.00 C ATOM 408 CG ASP A 30 5.122 13.424 2.308 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.222 14.505 2.926 1.00 0.00 O ATOM 410 OD2 ASP A 30 4.771 13.350 1.112 1.00 0.00 O ATOM 0 H ASP A 30 5.498 9.953 4.184 1.00 0.00 H new ATOM 0 HA ASP A 30 3.937 12.266 4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.245 12.323 3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.810 11.398 2.337 1.00 0.00 H new ATOM 415 N ILE A 31 2.963 10.261 2.178 1.00 0.00 N ATOM 416 CA ILE A 31 1.883 9.996 1.235 1.00 0.00 C ATOM 417 C ILE A 31 0.572 9.742 1.970 1.00 0.00 C ATOM 418 O ILE A 31 -0.486 10.211 1.551 1.00 0.00 O ATOM 419 CB ILE A 31 2.203 8.786 0.331 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.457 9.064 -0.502 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.019 8.468 -0.575 1.00 0.00 C ATOM 422 CD1 ILE A 31 3.927 7.874 -1.313 1.00 0.00 C ATOM 0 H ILE A 31 3.623 9.492 2.292 1.00 0.00 H new ATOM 0 HA ILE A 31 1.782 10.882 0.608 1.00 0.00 H new ATOM 0 HB ILE A 31 2.392 7.919 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.257 9.896 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.261 9.380 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.262 7.613 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.147 8.233 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.800 9.331 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.819 8.147 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.160 7.046 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.140 7.571 -2.004 1.00 0.00 H new ATOM 434 N ILE A 32 0.648 8.998 3.069 1.00 0.00 N ATOM 435 CA ILE A 32 -0.535 8.688 3.864 1.00 0.00 C ATOM 436 C ILE A 32 -1.175 9.963 4.402 1.00 0.00 C ATOM 437 O ILE A 32 -2.394 10.040 4.560 1.00 0.00 O ATOM 438 CB ILE A 32 -0.189 7.759 5.046 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.468 6.474 4.537 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.439 7.439 5.854 1.00 0.00 C ATOM 441 CD1 ILE A 32 0.949 5.559 5.644 1.00 0.00 C ATOM 0 H ILE A 32 1.515 8.599 3.429 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.239 8.177 3.207 1.00 0.00 H new ATOM 0 HB ILE A 32 0.518 8.273 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.245 5.933 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.313 6.736 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.178 6.783 6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.867 8.363 6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.168 6.942 5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.403 4.669 5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.686 6.082 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.104 5.267 6.268 1.00 0.00 H new ATOM 453 N MET A 33 -0.345 10.963 4.678 1.00 0.00 N ATOM 454 CA MET A 33 -0.828 12.236 5.199 1.00 0.00 C ATOM 455 C MET A 33 -0.961 13.269 4.085 1.00 0.00 C ATOM 456 O MET A 33 -1.242 14.440 4.344 1.00 0.00 O ATOM 457 CB MET A 33 0.118 12.755 6.284 1.00 0.00 C ATOM 458 CG MET A 33 0.261 11.812 7.467 1.00 0.00 C ATOM 459 SD MET A 33 1.378 12.449 8.730 1.00 0.00 S ATOM 460 CE MET A 33 0.529 13.952 9.209 1.00 0.00 C ATOM 0 H MET A 33 0.666 10.916 4.549 1.00 0.00 H new ATOM 0 HA MET A 33 -1.815 12.072 5.632 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.101 12.927 5.846 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.245 13.719 6.640 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.720 11.638 7.909 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.628 10.847 7.116 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.865 14.260 10.199 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.750 14.740 8.489 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.546 13.772 9.231 1.00 0.00 H new ATOM 470 N ASP A 34 -0.755 12.829 2.847 1.00 0.00 N ATOM 471 CA ASP A 34 -0.855 13.718 1.695 1.00 0.00 C ATOM 472 C ASP A 34 -2.314 14.025 1.371 1.00 0.00 C ATOM 473 O ASP A 34 -3.151 13.125 1.315 1.00 0.00 O ATOM 474 CB ASP A 34 -0.169 13.092 0.480 1.00 0.00 C ATOM 475 CG ASP A 34 -0.227 13.988 -0.741 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.661 14.855 -0.886 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.162 13.825 -1.551 1.00 0.00 O ATOM 0 H ASP A 34 -0.518 11.864 2.617 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.353 14.653 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.872 12.880 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.643 12.138 0.250 1.00 0.00 H new ATOM 482 N ASP A 35 -2.609 15.306 1.157 1.00 0.00 N ATOM 483 CA ASP A 35 -3.968 15.740 0.843 1.00 0.00 C ATOM 484 C ASP A 35 -4.502 15.038 -0.402 1.00 0.00 C ATOM 485 O ASP A 35 -5.592 14.464 -0.383 1.00 0.00 O ATOM 486 CB ASP A 35 -4.007 17.257 0.641 1.00 0.00 C ATOM 487 CG ASP A 35 -3.573 18.018 1.878 1.00 0.00 C ATOM 488 OD1 ASP A 35 -2.352 18.205 2.062 1.00 0.00 O ATOM 489 OD2 ASP A 35 -4.454 18.431 2.661 1.00 0.00 O ATOM 0 H ASP A 35 -1.925 16.061 1.195 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.606 15.471 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.359 17.526 -0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.019 17.558 0.369 1.00 0.00 H new ATOM 494 N GLU A 36 -3.731 15.089 -1.486 1.00 0.00 N ATOM 495 CA GLU A 36 -4.131 14.461 -2.742 1.00 0.00 C ATOM 496 C GLU A 36 -4.385 12.968 -2.554 1.00 0.00 C ATOM 497 O GLU A 36 -5.155 12.363 -3.301 1.00 0.00 O ATOM 498 CB GLU A 36 -3.058 14.680 -3.812 1.00 0.00 C ATOM 499 CG GLU A 36 -3.411 14.076 -5.162 1.00 0.00 C ATOM 500 CD GLU A 36 -2.324 14.286 -6.199 1.00 0.00 C ATOM 501 OE1 GLU A 36 -2.361 15.322 -6.896 1.00 0.00 O ATOM 502 OE2 GLU A 36 -1.437 13.415 -6.315 1.00 0.00 O ATOM 0 H GLU A 36 -2.826 15.559 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.060 14.927 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.892 15.750 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.118 14.250 -3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.591 13.008 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.341 14.518 -5.521 1.00 0.00 H new ATOM 509 N PHE A 37 -3.738 12.378 -1.555 1.00 0.00 N ATOM 510 CA PHE A 37 -3.899 10.956 -1.276 1.00 0.00 C ATOM 511 C PHE A 37 -5.218 10.688 -0.560 1.00 0.00 C ATOM 512 O PHE A 37 -5.863 9.665 -0.788 1.00 0.00 O ATOM 513 CB PHE A 37 -2.730 10.442 -0.433 1.00 0.00 C ATOM 514 CG PHE A 37 -2.865 8.999 -0.030 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.701 7.988 -0.963 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.153 8.656 1.282 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.824 6.661 -0.594 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.277 7.331 1.655 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.111 6.332 0.716 1.00 0.00 C ATOM 0 H PHE A 37 -3.098 12.862 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.910 10.424 -2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.805 10.568 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.644 11.054 0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.475 8.239 -1.989 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.282 9.433 2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.696 5.882 -1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.504 7.077 2.680 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.205 5.296 1.006 1.00 0.00 H new ATOM 529 N GLN A 38 -5.613 11.616 0.305 1.00 0.00 N ATOM 530 CA GLN A 38 -6.854 11.480 1.060 1.00 0.00 C ATOM 531 C GLN A 38 -8.069 11.579 0.141 1.00 0.00 C ATOM 532 O GLN A 38 -9.021 10.812 0.274 1.00 0.00 O ATOM 533 CB GLN A 38 -6.934 12.554 2.144 1.00 0.00 C ATOM 534 CG GLN A 38 -5.813 12.470 3.168 1.00 0.00 C ATOM 535 CD GLN A 38 -5.868 13.592 4.185 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.940 14.103 4.508 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.707 13.981 4.698 1.00 0.00 N ATOM 0 H GLN A 38 -5.092 12.471 0.501 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.857 10.496 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.911 13.537 1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.891 12.469 2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.870 11.512 3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.853 12.498 2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.842 13.530 4.402 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.680 14.731 5.389 1.00 0.00 H new ATOM 546 N LEU A 39 -8.027 12.529 -0.788 1.00 0.00 N ATOM 547 CA LEU A 39 -9.126 12.728 -1.727 1.00 0.00 C ATOM 548 C LEU A 39 -9.230 11.562 -2.707 1.00 0.00 C ATOM 549 O LEU A 39 -10.319 11.053 -2.966 1.00 0.00 O ATOM 550 CB LEU A 39 -8.942 14.043 -2.489 1.00 0.00 C ATOM 551 CG LEU A 39 -10.012 14.342 -3.541 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.392 14.404 -2.903 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.697 15.642 -4.265 1.00 0.00 C ATOM 0 H LEU A 39 -7.245 13.172 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.053 12.775 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.924 14.862 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.968 14.027 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.011 13.532 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.138 14.618 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.619 13.447 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.410 15.192 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.468 15.840 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.668 16.461 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.729 15.558 -4.759 1.00 0.00 H new ATOM 565 N LEU A 40 -8.089 11.147 -3.249 1.00 0.00 N ATOM 566 CA LEU A 40 -8.045 10.041 -4.202 1.00 0.00 C ATOM 567 C LEU A 40 -8.642 8.769 -3.601 1.00 0.00 C ATOM 568 O LEU A 40 -9.522 8.143 -4.195 1.00 0.00 O ATOM 569 CB LEU A 40 -6.599 9.777 -4.635 1.00 0.00 C ATOM 570 CG LEU A 40 -6.387 8.527 -5.495 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.788 8.792 -6.937 1.00 0.00 C ATOM 572 CD2 LEU A 40 -4.940 8.066 -5.418 1.00 0.00 C ATOM 0 H LEU A 40 -7.180 11.561 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.640 10.323 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.240 10.644 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.980 9.692 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.023 7.732 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.629 7.891 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.841 9.072 -6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.182 9.603 -7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.808 7.177 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.286 8.859 -5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.688 7.831 -4.384 1.00 0.00 H new ATOM 584 N GLN A 41 -8.156 8.397 -2.423 1.00 0.00 N ATOM 585 CA GLN A 41 -8.626 7.193 -1.745 1.00 0.00 C ATOM 586 C GLN A 41 -10.126 7.255 -1.466 1.00 0.00 C ATOM 587 O GLN A 41 -10.864 6.334 -1.808 1.00 0.00 O ATOM 588 CB GLN A 41 -7.860 6.992 -0.435 1.00 0.00 C ATOM 589 CG GLN A 41 -8.284 5.750 0.334 1.00 0.00 C ATOM 590 CD GLN A 41 -7.503 5.567 1.621 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.060 6.538 2.234 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.331 4.318 2.036 1.00 0.00 N ATOM 0 H GLN A 41 -7.436 8.912 -1.916 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.442 6.347 -2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.794 6.928 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.003 7.868 0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.347 5.815 0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.148 4.872 -0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.716 3.543 1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.814 4.133 2.895 1.00 0.00 H new ATOM 601 N ARG A 42 -10.569 8.343 -0.846 1.00 0.00 N ATOM 602 CA ARG A 42 -11.981 8.513 -0.512 1.00 0.00 C ATOM 603 C ARG A 42 -12.854 8.542 -1.765 1.00 0.00 C ATOM 604 O ARG A 42 -13.993 8.071 -1.750 1.00 0.00 O ATOM 605 CB ARG A 42 -12.179 9.801 0.292 1.00 0.00 C ATOM 606 CG ARG A 42 -13.599 9.990 0.800 1.00 0.00 C ATOM 607 CD ARG A 42 -13.758 11.314 1.529 1.00 0.00 C ATOM 608 NE ARG A 42 -13.564 12.455 0.637 1.00 0.00 N ATOM 609 CZ ARG A 42 -13.365 13.699 1.062 1.00 0.00 C ATOM 610 NH1 ARG A 42 -13.321 13.962 2.360 1.00 0.00 N ATOM 611 NH2 ARG A 42 -13.204 14.682 0.186 1.00 0.00 N ATOM 0 H ARG A 42 -9.972 9.121 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.287 7.658 0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.496 9.798 1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.909 10.653 -0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.295 9.949 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.859 9.171 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.752 11.366 1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.039 11.366 2.347 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.582 12.288 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.440 13.209 3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.168 14.918 2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.233 14.484 -0.814 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.051 15.636 0.513 1.00 0.00 H new ATOM 625 N ASN A 43 -12.315 9.092 -2.849 1.00 0.00 N ATOM 626 CA ASN A 43 -13.051 9.192 -4.107 1.00 0.00 C ATOM 627 C ASN A 43 -13.455 7.821 -4.638 1.00 0.00 C ATOM 628 O ASN A 43 -14.614 7.602 -4.990 1.00 0.00 O ATOM 629 CB ASN A 43 -12.213 9.926 -5.156 1.00 0.00 C ATOM 630 CG ASN A 43 -12.320 11.432 -5.032 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.324 11.959 -4.553 1.00 0.00 O ATOM 632 ND2 ASN A 43 -11.283 12.137 -5.472 1.00 0.00 N ATOM 0 H ASN A 43 -11.371 9.476 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.962 9.757 -3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.169 9.629 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.536 9.623 -6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.300 13.156 -5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.470 11.660 -5.862 1.00 0.00 H new ATOM 639 N PHE A 44 -12.500 6.899 -4.695 1.00 0.00 N ATOM 640 CA PHE A 44 -12.770 5.556 -5.196 1.00 0.00 C ATOM 641 C PHE A 44 -13.457 4.694 -4.142 1.00 0.00 C ATOM 642 O PHE A 44 -14.326 3.885 -4.466 1.00 0.00 O ATOM 643 CB PHE A 44 -11.478 4.892 -5.671 1.00 0.00 C ATOM 644 CG PHE A 44 -11.055 5.338 -7.042 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.527 6.603 -7.241 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.194 4.495 -8.132 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.144 7.019 -8.502 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.813 4.905 -9.396 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.287 6.168 -9.581 1.00 0.00 C ATOM 0 H PHE A 44 -11.536 7.056 -4.402 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.449 5.648 -6.044 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.681 5.113 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.612 3.810 -5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.413 7.272 -6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.605 3.506 -7.993 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.734 8.008 -8.644 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -10.927 4.238 -10.238 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.988 6.490 -10.567 1.00 0.00 H new ATOM 659 N MET A 45 -13.068 4.869 -2.883 1.00 0.00 N ATOM 660 CA MET A 45 -13.660 4.101 -1.793 1.00 0.00 C ATOM 661 C MET A 45 -15.162 4.347 -1.710 1.00 0.00 C ATOM 662 O MET A 45 -15.909 3.512 -1.202 1.00 0.00 O ATOM 663 CB MET A 45 -12.998 4.451 -0.459 1.00 0.00 C ATOM 664 CG MET A 45 -11.639 3.797 -0.264 1.00 0.00 C ATOM 665 SD MET A 45 -11.010 3.993 1.414 1.00 0.00 S ATOM 666 CE MET A 45 -12.269 3.128 2.350 1.00 0.00 C ATOM 0 H MET A 45 -12.349 5.532 -2.593 1.00 0.00 H new ATOM 0 HA MET A 45 -13.491 3.044 -2.000 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.884 5.533 -0.392 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.657 4.149 0.355 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.714 2.735 -0.498 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.928 4.229 -0.968 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.794 2.495 3.100 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.917 3.852 2.844 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.863 2.510 1.677 1.00 0.00 H new ATOM 676 N ASP A 46 -15.596 5.499 -2.209 1.00 0.00 N ATOM 677 CA ASP A 46 -17.011 5.850 -2.200 1.00 0.00 C ATOM 678 C ASP A 46 -17.825 4.829 -2.989 1.00 0.00 C ATOM 679 O ASP A 46 -18.991 4.578 -2.682 1.00 0.00 O ATOM 680 CB ASP A 46 -17.217 7.248 -2.786 1.00 0.00 C ATOM 681 CG ASP A 46 -18.673 7.674 -2.768 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.388 7.386 -3.750 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.097 8.294 -1.770 1.00 0.00 O ATOM 0 H ASP A 46 -14.989 6.205 -2.625 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.356 5.846 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.624 7.967 -2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.848 7.267 -3.812 1.00 0.00 H new ATOM 688 N LYS A 47 -17.204 4.247 -4.010 1.00 0.00 N ATOM 689 CA LYS A 47 -17.869 3.252 -4.845 1.00 0.00 C ATOM 690 C LYS A 47 -17.524 1.835 -4.393 1.00 0.00 C ATOM 691 O LYS A 47 -18.379 0.950 -4.385 1.00 0.00 O ATOM 692 CB LYS A 47 -17.472 3.436 -6.312 1.00 0.00 C ATOM 693 CG LYS A 47 -17.955 4.746 -6.919 1.00 0.00 C ATOM 694 CD LYS A 47 -19.472 4.797 -7.013 1.00 0.00 C ATOM 695 CE LYS A 47 -19.951 6.142 -7.532 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.434 6.197 -7.658 1.00 0.00 N ATOM 0 H LYS A 47 -16.241 4.447 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.945 3.396 -4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.386 3.387 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.873 2.607 -6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.600 5.580 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.525 4.867 -7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.824 4.004 -7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.905 4.609 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.615 6.931 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.497 6.338 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.718 7.132 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -21.754 5.462 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.868 6.036 -6.727 1.00 0.00 H new ATOM 710 N TYR A 48 -16.266 1.630 -4.020 1.00 0.00 N ATOM 711 CA TYR A 48 -15.800 0.320 -3.570 1.00 0.00 C ATOM 712 C TYR A 48 -16.598 -0.181 -2.367 1.00 0.00 C ATOM 713 O TYR A 48 -17.010 -1.340 -2.329 1.00 0.00 O ATOM 714 CB TYR A 48 -14.312 0.378 -3.217 1.00 0.00 C ATOM 715 CG TYR A 48 -13.387 0.260 -4.411 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.487 1.134 -5.486 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.409 -0.727 -4.458 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.640 1.029 -6.574 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.558 -0.838 -5.542 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.678 0.043 -6.596 1.00 0.00 C ATOM 721 OH TYR A 48 -10.832 -0.063 -7.677 1.00 0.00 O ATOM 0 H TYR A 48 -15.548 2.354 -4.020 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.952 -0.381 -4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.108 1.318 -2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.085 -0.424 -2.515 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.239 1.909 -5.472 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.312 -1.419 -3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.732 1.716 -7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.803 -1.610 -5.563 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.630 -1.008 -7.843 1.00 0.00 H new ATOM 731 N TYR A 49 -16.817 0.693 -1.386 1.00 0.00 N ATOM 732 CA TYR A 49 -17.554 0.316 -0.182 1.00 0.00 C ATOM 733 C TYR A 49 -19.009 -0.017 -0.507 1.00 0.00 C ATOM 734 O TYR A 49 -19.705 -0.642 0.294 1.00 0.00 O ATOM 735 CB TYR A 49 -17.471 1.432 0.872 1.00 0.00 C ATOM 736 CG TYR A 49 -18.697 2.320 0.961 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.872 3.392 0.097 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.674 2.088 1.924 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.986 4.207 0.185 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.789 2.898 2.019 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.941 3.955 1.148 1.00 0.00 C ATOM 742 OH TYR A 49 -22.051 4.763 1.242 1.00 0.00 O ATOM 0 H TYR A 49 -16.497 1.661 -1.401 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.092 -0.582 0.229 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.298 0.978 1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.604 2.055 0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.125 3.593 -0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.559 1.261 2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.108 5.036 -0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.538 2.704 2.772 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.624 4.448 1.971 1.00 0.00 H new ATOM 752 N LEU A 50 -19.463 0.399 -1.685 1.00 0.00 N ATOM 753 CA LEU A 50 -20.833 0.140 -2.114 1.00 0.00 C ATOM 754 C LEU A 50 -20.976 -1.268 -2.685 1.00 0.00 C ATOM 755 O LEU A 50 -21.912 -1.992 -2.346 1.00 0.00 O ATOM 756 CB LEU A 50 -21.270 1.170 -3.158 1.00 0.00 C ATOM 757 CG LEU A 50 -21.502 2.582 -2.619 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.795 3.546 -3.758 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.642 2.586 -1.613 1.00 0.00 C ATOM 0 H LEU A 50 -18.901 0.918 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.476 0.223 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.512 1.216 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.190 0.821 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.594 2.911 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.957 4.546 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.949 3.564 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.688 3.220 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.794 3.599 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.555 2.237 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.396 1.925 -0.782 1.00 0.00 H new ATOM 771 N GLU A 51 -20.045 -1.647 -3.553 1.00 0.00 N ATOM 772 CA GLU A 51 -20.070 -2.966 -4.175 1.00 0.00 C ATOM 773 C GLU A 51 -19.719 -4.055 -3.166 1.00 0.00 C ATOM 774 O GLU A 51 -20.273 -5.154 -3.206 1.00 0.00 O ATOM 775 CB GLU A 51 -19.097 -3.012 -5.354 1.00 0.00 C ATOM 776 CG GLU A 51 -19.388 -1.972 -6.424 1.00 0.00 C ATOM 777 CD GLU A 51 -20.749 -2.158 -7.067 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.848 -2.947 -8.031 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.716 -1.515 -6.607 1.00 0.00 O ATOM 0 H GLU A 51 -19.263 -1.059 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.081 -3.150 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.083 -2.865 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.132 -4.004 -5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.332 -0.977 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.617 -2.023 -7.193 1.00 0.00 H new ATOM 786 N PHE A 52 -18.799 -3.743 -2.261 1.00 0.00 N ATOM 787 CA PHE A 52 -18.377 -4.699 -1.245 1.00 0.00 C ATOM 788 C PHE A 52 -19.416 -4.808 -0.134 1.00 0.00 C ATOM 789 O PHE A 52 -19.348 -4.095 0.868 1.00 0.00 O ATOM 790 CB PHE A 52 -17.020 -4.299 -0.664 1.00 0.00 C ATOM 791 CG PHE A 52 -15.854 -4.728 -1.512 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.586 -4.102 -2.719 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.028 -5.760 -1.099 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.515 -4.499 -3.499 1.00 0.00 C ATOM 795 CE2 PHE A 52 -13.956 -6.161 -1.874 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.699 -5.529 -3.075 1.00 0.00 C ATOM 0 H PHE A 52 -18.332 -2.838 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.281 -5.675 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -16.991 -3.216 -0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -16.916 -4.735 0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.221 -3.295 -3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.224 -6.257 -0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.317 -4.004 -4.438 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.320 -6.968 -1.541 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.861 -5.840 -3.681 1.00 0.00 H new ATOM 806 N GLU A 53 -20.382 -5.702 -0.325 1.00 0.00 N ATOM 807 CA GLU A 53 -21.439 -5.911 0.658 1.00 0.00 C ATOM 808 C GLU A 53 -21.354 -7.312 1.257 1.00 0.00 C ATOM 809 O GLU A 53 -21.091 -8.285 0.549 1.00 0.00 O ATOM 810 CB GLU A 53 -22.810 -5.700 0.013 1.00 0.00 C ATOM 811 CG GLU A 53 -23.009 -4.299 -0.545 1.00 0.00 C ATOM 812 CD GLU A 53 -24.340 -4.136 -1.254 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.339 -3.819 -0.575 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.382 -4.325 -2.487 1.00 0.00 O ATOM 0 H GLU A 53 -20.454 -6.294 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.307 -5.185 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.940 -6.425 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.585 -5.902 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.944 -3.576 0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.201 -4.071 -1.240 1.00 0.00 H new ATOM 821 N ASP A 54 -21.579 -7.406 2.564 1.00 0.00 N ATOM 822 CA ASP A 54 -21.526 -8.688 3.259 1.00 0.00 C ATOM 823 C ASP A 54 -22.781 -9.510 2.985 1.00 0.00 C ATOM 824 O ASP A 54 -23.814 -9.320 3.629 1.00 0.00 O ATOM 825 CB ASP A 54 -21.361 -8.473 4.765 1.00 0.00 C ATOM 826 CG ASP A 54 -21.331 -9.777 5.536 1.00 0.00 C ATOM 827 OD1 ASP A 54 -20.249 -10.394 5.621 1.00 0.00 O ATOM 828 OD2 ASP A 54 -22.393 -10.184 6.055 1.00 0.00 O ATOM 0 H ASP A 54 -21.800 -6.610 3.163 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.664 -9.239 2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -20.439 -7.923 4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.181 -7.856 5.133 1.00 0.00 H new ATOM 833 N THR A 55 -22.684 -10.421 2.023 1.00 0.00 N ATOM 834 CA THR A 55 -23.807 -11.277 1.660 1.00 0.00 C ATOM 835 C THR A 55 -23.365 -12.732 1.532 1.00 0.00 C ATOM 836 O THR A 55 -22.212 -13.065 1.806 1.00 0.00 O ATOM 837 CB THR A 55 -24.453 -10.826 0.337 1.00 0.00 C ATOM 838 OG1 THR A 55 -23.490 -10.881 -0.723 1.00 0.00 O ATOM 839 CG2 THR A 55 -25.001 -9.412 0.456 1.00 0.00 C ATOM 0 H THR A 55 -21.837 -10.586 1.479 1.00 0.00 H new ATOM 0 HA THR A 55 -24.544 -11.192 2.459 1.00 0.00 H new ATOM 0 HB THR A 55 -25.279 -11.502 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.909 -10.594 -1.561 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.452 -9.116 -0.491 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.754 -9.379 1.243 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.190 -8.727 0.701 1.00 0.00 H new ATOM 847 N GLU A 56 -24.286 -13.594 1.112 1.00 0.00 N ATOM 848 CA GLU A 56 -23.989 -15.014 0.953 1.00 0.00 C ATOM 849 C GLU A 56 -23.790 -15.374 -0.515 1.00 0.00 C ATOM 850 O GLU A 56 -23.429 -16.504 -0.843 1.00 0.00 O ATOM 851 CB GLU A 56 -25.117 -15.859 1.547 1.00 0.00 C ATOM 852 CG GLU A 56 -25.321 -15.639 3.037 1.00 0.00 C ATOM 853 CD GLU A 56 -24.087 -15.978 3.849 1.00 0.00 C ATOM 854 OE1 GLU A 56 -23.874 -17.177 4.130 1.00 0.00 O ATOM 855 OE2 GLU A 56 -23.333 -15.047 4.203 1.00 0.00 O ATOM 0 H GLU A 56 -25.244 -13.334 0.876 1.00 0.00 H new ATOM 0 HA GLU A 56 -23.062 -15.225 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -26.045 -15.630 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -24.903 -16.913 1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.593 -14.598 3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -26.156 -16.249 3.380 1.00 0.00 H new ATOM 862 N GLU A 57 -24.029 -14.408 -1.396 1.00 0.00 N ATOM 863 CA GLU A 57 -23.873 -14.625 -2.831 1.00 0.00 C ATOM 864 C GLU A 57 -22.460 -14.270 -3.284 1.00 0.00 C ATOM 865 O GLU A 57 -21.915 -13.238 -2.893 1.00 0.00 O ATOM 866 CB GLU A 57 -24.894 -13.793 -3.612 1.00 0.00 C ATOM 867 CG GLU A 57 -26.338 -14.201 -3.364 1.00 0.00 C ATOM 868 CD GLU A 57 -26.795 -13.911 -1.948 1.00 0.00 C ATOM 869 OE1 GLU A 57 -27.172 -12.753 -1.671 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.780 -14.843 -1.117 1.00 0.00 O ATOM 0 H GLU A 57 -24.331 -13.467 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 57 -24.047 -15.682 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.772 -12.743 -3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.680 -13.879 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -26.985 -13.674 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -26.450 -15.266 -3.566 1.00 0.00 H new ATOM 877 N ASN A 58 -21.873 -15.132 -4.108 1.00 0.00 N ATOM 878 CA ASN A 58 -20.524 -14.904 -4.616 1.00 0.00 C ATOM 879 C ASN A 58 -20.570 -14.175 -5.955 1.00 0.00 C ATOM 880 O ASN A 58 -21.041 -14.721 -6.953 1.00 0.00 O ATOM 881 CB ASN A 58 -19.780 -16.231 -4.768 1.00 0.00 C ATOM 882 CG ASN A 58 -19.734 -17.016 -3.472 1.00 0.00 C ATOM 883 OD1 ASN A 58 -18.814 -16.858 -2.670 1.00 0.00 O ATOM 884 ND2 ASN A 58 -20.730 -17.868 -3.260 1.00 0.00 N ATOM 0 H ASN A 58 -22.309 -15.993 -4.438 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.990 -14.281 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -20.266 -16.832 -5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.763 -16.038 -5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.753 -18.423 -2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -21.472 -17.967 -3.952 1.00 0.00 H new ATOM 891 N LYS A 59 -20.078 -12.940 -5.969 1.00 0.00 N ATOM 892 CA LYS A 59 -20.067 -12.134 -7.184 1.00 0.00 C ATOM 893 C LYS A 59 -18.669 -12.068 -7.792 1.00 0.00 C ATOM 894 O LYS A 59 -17.680 -11.893 -7.082 1.00 0.00 O ATOM 895 CB LYS A 59 -20.573 -10.721 -6.885 1.00 0.00 C ATOM 896 CG LYS A 59 -21.978 -10.689 -6.301 1.00 0.00 C ATOM 897 CD LYS A 59 -22.467 -9.264 -6.086 1.00 0.00 C ATOM 898 CE LYS A 59 -22.609 -8.515 -7.402 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.528 -9.214 -8.342 1.00 0.00 N ATOM 0 H LYS A 59 -19.682 -12.476 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.730 -12.609 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.888 -10.238 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.557 -10.136 -7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.662 -11.211 -6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.990 -11.225 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.428 -9.282 -5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.769 -8.733 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.983 -7.510 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.629 -8.407 -7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -23.812 -8.561 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.042 -10.035 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.373 -9.535 -7.827 1.00 0.00 H new ATOM 913 N LEU A 60 -18.596 -12.218 -9.109 1.00 0.00 N ATOM 914 CA LEU A 60 -17.322 -12.172 -9.818 1.00 0.00 C ATOM 915 C LEU A 60 -16.871 -10.730 -10.045 1.00 0.00 C ATOM 916 O LEU A 60 -15.748 -10.485 -10.484 1.00 0.00 O ATOM 917 CB LEU A 60 -17.434 -12.900 -11.159 1.00 0.00 C ATOM 918 CG LEU A 60 -17.792 -14.385 -11.066 1.00 0.00 C ATOM 919 CD1 LEU A 60 -18.086 -14.945 -12.449 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.665 -15.163 -10.402 1.00 0.00 C ATOM 0 H LEU A 60 -19.406 -12.373 -9.709 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.576 -12.672 -9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.188 -12.398 -11.765 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.485 -12.804 -11.687 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.688 -14.489 -10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -18.339 -16.002 -12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -18.924 -14.404 -12.890 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -17.206 -14.830 -13.082 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.936 -16.217 -10.344 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.753 -15.054 -10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.498 -14.775 -9.397 1.00 0.00 H new ATOM 932 N ILE A 61 -17.757 -9.783 -9.746 1.00 0.00 N ATOM 933 CA ILE A 61 -17.460 -8.362 -9.922 1.00 0.00 C ATOM 934 C ILE A 61 -16.266 -7.931 -9.068 1.00 0.00 C ATOM 935 O ILE A 61 -15.696 -6.856 -9.273 1.00 0.00 O ATOM 936 CB ILE A 61 -18.685 -7.491 -9.568 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.471 -6.041 -10.014 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.969 -7.550 -8.073 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.333 -5.878 -11.513 1.00 0.00 C ATOM 0 H ILE A 61 -18.690 -9.974 -9.380 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.210 -8.216 -10.973 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.548 -7.888 -10.102 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.309 -5.436 -9.668 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.575 -5.650 -9.531 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.835 -6.930 -7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.172 -8.581 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.103 -7.182 -7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.184 -4.825 -11.752 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.477 -6.454 -11.864 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.238 -6.237 -12.003 1.00 0.00 H new ATOM 951 N TYR A 62 -15.885 -8.778 -8.119 1.00 0.00 N ATOM 952 CA TYR A 62 -14.764 -8.480 -7.235 1.00 0.00 C ATOM 953 C TYR A 62 -13.428 -8.554 -7.972 1.00 0.00 C ATOM 954 O TYR A 62 -12.461 -7.908 -7.572 1.00 0.00 O ATOM 955 CB TYR A 62 -14.755 -9.439 -6.041 1.00 0.00 C ATOM 956 CG TYR A 62 -15.880 -9.201 -5.058 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.034 -7.969 -4.432 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.786 -10.209 -4.751 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.059 -7.750 -3.531 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.813 -9.997 -3.851 1.00 0.00 C ATOM 961 CZ TYR A 62 -17.945 -8.766 -3.245 1.00 0.00 C ATOM 962 OH TYR A 62 -18.966 -8.551 -2.347 1.00 0.00 O ATOM 0 H TYR A 62 -16.335 -9.676 -7.942 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.894 -7.459 -6.876 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.817 -10.463 -6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.803 -9.345 -5.519 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.342 -7.170 -4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.686 -11.175 -5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.165 -6.787 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.508 -10.791 -3.624 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.501 -9.367 -2.259 1.00 0.00 H new ATOM 972 N THR A 63 -13.375 -9.338 -9.048 1.00 0.00 N ATOM 973 CA THR A 63 -12.139 -9.482 -9.817 1.00 0.00 C ATOM 974 C THR A 63 -11.813 -8.209 -10.607 1.00 0.00 C ATOM 975 O THR A 63 -10.701 -7.690 -10.500 1.00 0.00 O ATOM 976 CB THR A 63 -12.192 -10.692 -10.775 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.467 -11.889 -10.037 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.875 -10.848 -11.523 1.00 0.00 C ATOM 0 H THR A 63 -14.164 -9.878 -9.404 1.00 0.00 H new ATOM 0 HA THR A 63 -11.345 -9.655 -9.091 1.00 0.00 H new ATOM 0 HB THR A 63 -12.988 -10.518 -11.500 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.501 -12.652 -10.651 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.936 -11.707 -12.192 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.678 -9.948 -12.105 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.067 -11.002 -10.808 1.00 0.00 H new ATOM 986 N PRO A 64 -12.762 -7.678 -11.412 1.00 0.00 N ATOM 987 CA PRO A 64 -12.527 -6.456 -12.187 1.00 0.00 C ATOM 988 C PRO A 64 -12.245 -5.257 -11.289 1.00 0.00 C ATOM 989 O PRO A 64 -11.301 -4.502 -11.523 1.00 0.00 O ATOM 990 CB PRO A 64 -13.836 -6.246 -12.958 1.00 0.00 C ATOM 991 CG PRO A 64 -14.509 -7.574 -12.944 1.00 0.00 C ATOM 992 CD PRO A 64 -14.112 -8.217 -11.649 1.00 0.00 C ATOM 0 HA PRO A 64 -11.655 -6.551 -12.834 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.455 -5.485 -12.484 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.644 -5.911 -13.978 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.591 -7.465 -13.011 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.196 -8.180 -13.794 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.798 -7.957 -10.842 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.105 -9.304 -11.724 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.070 -5.087 -10.256 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.902 -3.978 -9.324 1.00 0.00 C ATOM 1002 C ILE A 65 -11.535 -4.034 -8.647 1.00 0.00 C ATOM 1003 O ILE A 65 -10.866 -3.010 -8.494 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.007 -3.972 -8.247 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.383 -3.817 -8.900 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.762 -2.856 -7.240 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.536 -3.898 -7.920 1.00 0.00 C ATOM 0 H ILE A 65 -13.857 -5.701 -10.046 1.00 0.00 H new ATOM 0 HA ILE A 65 -12.976 -3.059 -9.906 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.982 -4.924 -7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.424 -2.858 -9.417 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.506 -4.592 -9.656 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.550 -2.866 -6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.797 -3.007 -6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.763 -1.895 -7.754 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.478 -3.780 -8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.522 -4.867 -7.421 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.439 -3.106 -7.178 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.125 -5.233 -8.245 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.835 -5.418 -7.590 1.00 0.00 C ATOM 1021 C PHE A 66 -8.703 -4.929 -8.486 1.00 0.00 C ATOM 1022 O PHE A 66 -7.775 -4.266 -8.024 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.623 -6.891 -7.236 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.324 -7.162 -6.531 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.158 -6.815 -5.200 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.271 -7.764 -7.200 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -6.964 -7.064 -4.549 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.075 -8.015 -6.554 1.00 0.00 C ATOM 1029 CZ PHE A 66 -5.922 -7.665 -5.227 1.00 0.00 C ATOM 0 H PHE A 66 -11.666 -6.090 -8.361 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.831 -4.831 -6.672 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.446 -7.226 -6.604 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.661 -7.484 -8.150 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.970 -6.345 -4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.386 -8.040 -8.238 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.846 -6.789 -3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.261 -8.484 -7.087 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.989 -7.861 -4.720 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.791 -5.259 -9.771 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.779 -4.849 -10.736 1.00 0.00 C ATOM 1041 C ASN A 67 -7.671 -3.330 -10.786 1.00 0.00 C ATOM 1042 O ASN A 67 -6.577 -2.778 -10.900 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.117 -5.396 -12.125 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.163 -6.912 -12.157 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -8.940 -7.505 -12.906 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -7.325 -7.548 -11.346 1.00 0.00 N ATOM 0 H ASN A 67 -9.553 -5.809 -10.167 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.819 -5.256 -10.420 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.081 -5.000 -12.443 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.375 -5.043 -12.841 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.308 -8.568 -11.327 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.698 -7.017 -10.742 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.818 -2.661 -10.696 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.858 -1.202 -10.721 1.00 0.00 C ATOM 1055 C GLU A 68 -8.129 -0.626 -9.513 1.00 0.00 C ATOM 1056 O GLU A 68 -7.528 0.445 -9.590 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.309 -0.712 -10.737 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.442 0.803 -10.737 1.00 0.00 C ATOM 1059 CD GLU A 68 -11.886 1.258 -10.814 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.407 1.389 -11.942 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.497 1.480 -9.747 1.00 0.00 O ATOM 0 H GLU A 68 -9.731 -3.106 -10.605 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.357 -0.860 -11.627 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.809 -1.112 -11.619 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.829 -1.114 -9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.985 1.205 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.889 1.213 -11.582 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.192 -1.346 -8.398 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.540 -0.915 -7.166 1.00 0.00 C ATOM 1070 C TYR A 69 -6.022 -0.985 -7.299 1.00 0.00 C ATOM 1071 O TYR A 69 -5.301 -0.106 -6.822 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.000 -1.790 -5.998 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.535 -1.297 -4.649 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.223 -0.292 -3.983 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.409 -1.836 -4.041 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.802 0.163 -2.748 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -5.981 -1.389 -2.805 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.681 -0.388 -2.163 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.259 0.061 -0.933 1.00 0.00 O ATOM 0 H TYR A 69 -8.689 -2.233 -8.322 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.821 0.121 -6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.089 -1.841 -6.001 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.633 -2.805 -6.150 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.102 0.141 -4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.858 -2.618 -4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.348 0.946 -2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.104 -1.820 -2.345 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.456 -0.432 -0.663 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.547 -2.038 -7.952 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.118 -2.238 -8.155 1.00 0.00 C ATOM 1091 C ILE A 70 -3.568 -1.260 -9.189 1.00 0.00 C ATOM 1092 O ILE A 70 -2.398 -0.887 -9.147 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.817 -3.682 -8.603 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.503 -4.683 -7.666 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.313 -3.930 -8.647 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.017 -4.614 -6.232 1.00 0.00 C ATOM 0 H ILE A 70 -6.134 -2.770 -8.352 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.628 -2.055 -7.199 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.213 -3.822 -9.609 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.578 -4.505 -7.684 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.341 -5.692 -8.046 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.122 -4.955 -8.965 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.851 -3.239 -9.352 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.889 -3.774 -7.655 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.549 -5.352 -5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.948 -4.823 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.204 -3.618 -5.832 1.00 0.00 H new ATOM 1108 N SER A 71 -4.417 -0.854 -10.124 1.00 0.00 N ATOM 1109 CA SER A 71 -4.009 0.078 -11.166 1.00 0.00 C ATOM 1110 C SER A 71 -4.124 1.526 -10.692 1.00 0.00 C ATOM 1111 O SER A 71 -3.398 2.400 -11.166 1.00 0.00 O ATOM 1112 CB SER A 71 -4.860 -0.126 -12.419 1.00 0.00 C ATOM 1113 OG SER A 71 -4.713 -1.442 -12.926 1.00 0.00 O ATOM 0 H SER A 71 -5.390 -1.155 -10.182 1.00 0.00 H new ATOM 0 HA SER A 71 -2.964 -0.122 -11.402 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.908 0.062 -12.186 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.569 0.596 -13.182 1.00 0.00 H new ATOM 0 HG SER A 71 -5.254 -2.061 -12.392 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.053 1.780 -9.776 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.261 3.129 -9.254 1.00 0.00 C ATOM 1121 C LEU A 72 -4.415 3.406 -8.010 1.00 0.00 C ATOM 1122 O LEU A 72 -3.544 4.276 -8.021 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.750 3.337 -8.934 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.183 4.776 -8.612 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.768 5.173 -7.202 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.615 5.757 -9.631 1.00 0.00 C ATOM 0 H LEU A 72 -5.673 1.073 -9.380 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.944 3.832 -10.024 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.335 2.986 -9.784 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.009 2.704 -8.086 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.271 4.814 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.088 6.196 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.235 4.500 -6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.684 5.107 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.936 6.768 -9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.526 5.708 -9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.976 5.498 -10.626 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.675 2.656 -6.941 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.968 2.845 -5.675 1.00 0.00 C ATOM 1140 C VAL A 73 -2.530 2.334 -5.711 1.00 0.00 C ATOM 1141 O VAL A 73 -1.590 3.106 -5.525 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.715 2.159 -4.515 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -3.982 2.372 -3.199 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.144 2.674 -4.426 1.00 0.00 C ATOM 0 H VAL A 73 -5.371 1.911 -6.926 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.937 3.922 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.747 1.088 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.528 1.879 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.979 1.951 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.913 3.439 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.658 2.180 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.133 3.750 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.666 2.462 -5.359 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.364 1.034 -5.946 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.033 0.432 -5.977 1.00 0.00 C ATOM 1156 C GLU A 74 -0.106 1.189 -6.925 1.00 0.00 C ATOM 1157 O GLU A 74 1.080 1.357 -6.643 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.122 -1.043 -6.384 1.00 0.00 C ATOM 1159 CG GLU A 74 0.155 -1.834 -6.138 1.00 0.00 C ATOM 1160 CD GLU A 74 1.244 -1.528 -7.148 1.00 0.00 C ATOM 1161 OE1 GLU A 74 1.066 -1.876 -8.335 1.00 0.00 O ATOM 1162 OE2 GLU A 74 2.276 -0.946 -6.753 1.00 0.00 O ATOM 0 H GLU A 74 -3.129 0.381 -6.117 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.613 0.495 -4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.938 -1.512 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.375 -1.102 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.524 -1.615 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.072 -2.900 -6.168 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.652 1.654 -8.044 1.00 0.00 N ATOM 1170 CA LYS A 75 0.135 2.393 -9.023 1.00 0.00 C ATOM 1171 C LYS A 75 0.466 3.794 -8.512 1.00 0.00 C ATOM 1172 O LYS A 75 1.535 4.332 -8.799 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.617 2.474 -10.353 1.00 0.00 C ATOM 1174 CG LYS A 75 0.207 3.052 -11.495 1.00 0.00 C ATOM 1175 CD LYS A 75 0.017 4.557 -11.621 1.00 0.00 C ATOM 1176 CE LYS A 75 -1.377 4.907 -12.118 1.00 0.00 C ATOM 1177 NZ LYS A 75 -1.550 6.375 -12.299 1.00 0.00 N ATOM 0 H LYS A 75 -1.633 1.532 -8.294 1.00 0.00 H new ATOM 0 HA LYS A 75 1.073 1.860 -9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.953 1.475 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.510 3.084 -10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.262 2.831 -11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.078 2.570 -12.430 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.187 5.028 -10.653 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.761 4.962 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.563 4.400 -13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.118 4.539 -11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.513 6.572 -12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.398 6.857 -11.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.860 6.723 -12.995 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.458 4.386 -7.759 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.247 5.718 -7.205 1.00 0.00 C ATOM 1193 C TYR A 76 0.934 5.714 -6.236 1.00 0.00 C ATOM 1194 O TYR A 76 1.662 6.700 -6.126 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.512 6.205 -6.492 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.395 7.604 -5.929 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.565 8.718 -6.742 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.118 7.811 -4.583 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.461 9.998 -6.230 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.014 9.088 -4.063 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.186 10.177 -4.891 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.085 11.451 -4.378 1.00 0.00 O ATOM 0 H TYR A 76 -1.356 3.965 -7.520 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.022 6.400 -8.025 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.347 6.174 -7.192 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.749 5.516 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.782 8.582 -7.791 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.982 6.960 -3.932 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.595 10.853 -6.876 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.799 9.232 -3.014 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.204 12.104 -5.099 1.00 0.00 H new ATOM 1212 N ILE A 77 1.121 4.593 -5.542 1.00 0.00 N ATOM 1213 CA ILE A 77 2.213 4.459 -4.584 1.00 0.00 C ATOM 1214 C ILE A 77 3.549 4.254 -5.292 1.00 0.00 C ATOM 1215 O ILE A 77 4.552 4.872 -4.934 1.00 0.00 O ATOM 1216 CB ILE A 77 1.977 3.278 -3.616 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.670 3.472 -2.841 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.151 3.136 -2.656 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.283 2.278 -1.991 1.00 0.00 C ATOM 0 H ILE A 77 0.530 3.766 -5.626 1.00 0.00 H new ATOM 0 HA ILE A 77 2.243 5.388 -4.015 1.00 0.00 H new ATOM 0 HB ILE A 77 1.896 2.362 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.765 4.348 -2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.134 3.680 -3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.970 2.300 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.064 2.953 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.260 4.053 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.652 2.489 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.155 1.403 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.067 2.082 -1.260 1.00 0.00 H new ATOM 1231 N GLU A 78 3.557 3.383 -6.297 1.00 0.00 N ATOM 1232 CA GLU A 78 4.777 3.089 -7.043 1.00 0.00 C ATOM 1233 C GLU A 78 5.277 4.322 -7.794 1.00 0.00 C ATOM 1234 O GLU A 78 6.482 4.548 -7.893 1.00 0.00 O ATOM 1235 CB GLU A 78 4.543 1.928 -8.017 1.00 0.00 C ATOM 1236 CG GLU A 78 3.793 2.319 -9.279 1.00 0.00 C ATOM 1237 CD GLU A 78 3.653 1.169 -10.257 1.00 0.00 C ATOM 1238 OE1 GLU A 78 2.710 0.365 -10.097 1.00 0.00 O ATOM 1239 OE2 GLU A 78 4.484 1.073 -11.185 1.00 0.00 O ATOM 0 H GLU A 78 2.734 2.869 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 78 5.545 2.797 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.507 1.503 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.986 1.144 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.802 2.684 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.314 3.143 -9.766 1.00 0.00 H new ATOM 1246 N GLU A 79 4.349 5.122 -8.308 1.00 0.00 N ATOM 1247 CA GLU A 79 4.704 6.324 -9.058 1.00 0.00 C ATOM 1248 C GLU A 79 5.302 7.397 -8.153 1.00 0.00 C ATOM 1249 O GLU A 79 6.344 7.973 -8.470 1.00 0.00 O ATOM 1250 CB GLU A 79 3.478 6.880 -9.782 1.00 0.00 C ATOM 1251 CG GLU A 79 3.039 6.036 -10.967 1.00 0.00 C ATOM 1252 CD GLU A 79 4.108 5.937 -12.037 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.201 6.861 -12.871 1.00 0.00 O ATOM 1254 OE2 GLU A 79 4.856 4.935 -12.038 1.00 0.00 O ATOM 0 H GLU A 79 3.346 4.961 -8.220 1.00 0.00 H new ATOM 0 HA GLU A 79 5.460 6.042 -9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.652 6.957 -9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.697 7.890 -10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.782 5.035 -10.621 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.135 6.465 -11.400 1.00 0.00 H new ATOM 1261 N GLN A 80 4.643 7.662 -7.030 1.00 0.00 N ATOM 1262 CA GLN A 80 5.112 8.677 -6.091 1.00 0.00 C ATOM 1263 C GLN A 80 6.525 8.370 -5.598 1.00 0.00 C ATOM 1264 O GLN A 80 7.334 9.278 -5.403 1.00 0.00 O ATOM 1265 CB GLN A 80 4.159 8.776 -4.900 1.00 0.00 C ATOM 1266 CG GLN A 80 2.820 9.406 -5.244 1.00 0.00 C ATOM 1267 CD GLN A 80 2.951 10.851 -5.684 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.892 11.769 -4.867 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.128 11.059 -6.983 1.00 0.00 N ATOM 0 H GLN A 80 3.784 7.190 -6.747 1.00 0.00 H new ATOM 0 HA GLN A 80 5.135 9.631 -6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.989 7.777 -4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.635 9.360 -4.112 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.345 8.830 -6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.164 9.353 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.171 10.268 -7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.221 12.010 -7.339 1.00 0.00 H new ATOM 1278 N LEU A 81 6.812 7.089 -5.398 1.00 0.00 N ATOM 1279 CA LEU A 81 8.124 6.664 -4.922 1.00 0.00 C ATOM 1280 C LEU A 81 9.161 6.683 -6.044 1.00 0.00 C ATOM 1281 O LEU A 81 10.328 7.001 -5.814 1.00 0.00 O ATOM 1282 CB LEU A 81 8.036 5.265 -4.310 1.00 0.00 C ATOM 1283 CG LEU A 81 7.220 5.171 -3.018 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.008 3.718 -2.623 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.914 5.931 -1.896 1.00 0.00 C ATOM 0 H LEU A 81 6.154 6.326 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 81 8.446 7.371 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.600 4.590 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.047 4.909 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 81 6.245 5.625 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.426 3.672 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.471 3.200 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.974 3.239 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.322 5.855 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.902 5.504 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.016 6.980 -2.176 1.00 0.00 H new ATOM 1297 N LEU A 82 8.732 6.340 -7.255 1.00 0.00 N ATOM 1298 CA LEU A 82 9.632 6.312 -8.407 1.00 0.00 C ATOM 1299 C LEU A 82 10.114 7.714 -8.774 1.00 0.00 C ATOM 1300 O LEU A 82 11.240 7.887 -9.243 1.00 0.00 O ATOM 1301 CB LEU A 82 8.938 5.668 -9.610 1.00 0.00 C ATOM 1302 CG LEU A 82 8.866 4.138 -9.579 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.978 3.623 -10.702 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.259 3.535 -9.684 1.00 0.00 C ATOM 0 H LEU A 82 7.769 6.078 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 82 10.502 5.716 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.924 6.062 -9.678 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.460 5.973 -10.517 1.00 0.00 H new ATOM 0 HG LEU A 82 8.430 3.834 -8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.939 2.534 -10.665 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.972 4.027 -10.585 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.386 3.938 -11.662 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.187 2.448 -9.660 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.721 3.848 -10.620 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.868 3.877 -8.847 1.00 0.00 H new ATOM 1316 N GLN A 83 9.263 8.712 -8.557 1.00 0.00 N ATOM 1317 CA GLN A 83 9.612 10.094 -8.872 1.00 0.00 C ATOM 1318 C GLN A 83 10.746 10.590 -7.980 1.00 0.00 C ATOM 1319 O GLN A 83 11.419 11.570 -8.304 1.00 0.00 O ATOM 1320 CB GLN A 83 8.391 11.002 -8.717 1.00 0.00 C ATOM 1321 CG GLN A 83 7.308 10.750 -9.755 1.00 0.00 C ATOM 1322 CD GLN A 83 6.109 11.667 -9.590 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.443 12.016 -10.565 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.825 12.058 -8.353 1.00 0.00 N ATOM 0 H GLN A 83 8.329 8.591 -8.165 1.00 0.00 H new ATOM 0 HA GLN A 83 9.950 10.126 -9.908 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.968 10.862 -7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.711 12.042 -8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.728 10.885 -10.752 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.979 9.713 -9.685 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.404 11.745 -7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.028 12.671 -8.182 1.00 0.00 H new ATOM 1333 N ARG A 84 10.953 9.910 -6.856 1.00 0.00 N ATOM 1334 CA ARG A 84 12.008 10.283 -5.920 1.00 0.00 C ATOM 1335 C ARG A 84 13.147 9.267 -5.949 1.00 0.00 C ATOM 1336 O ARG A 84 14.272 9.571 -5.552 1.00 0.00 O ATOM 1337 CB ARG A 84 11.447 10.394 -4.501 1.00 0.00 C ATOM 1338 CG ARG A 84 10.403 11.490 -4.334 1.00 0.00 C ATOM 1339 CD ARG A 84 11.003 12.873 -4.531 1.00 0.00 C ATOM 1340 NE ARG A 84 10.035 13.933 -4.263 1.00 0.00 N ATOM 1341 CZ ARG A 84 10.355 15.221 -4.179 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.611 15.609 -4.352 1.00 0.00 N ATOM 1343 NH2 ARG A 84 9.416 16.123 -3.925 1.00 0.00 N ATOM 0 H ARG A 84 10.404 9.098 -6.572 1.00 0.00 H new ATOM 0 HA ARG A 84 12.401 11.253 -6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.004 9.438 -4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.269 10.580 -3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.597 11.337 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.961 11.423 -3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.863 12.992 -3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.370 12.967 -5.553 1.00 0.00 H new ATOM 0 HE ARG A 84 9.058 13.671 -4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.335 14.919 -4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.853 16.598 -4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.448 15.829 -3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.662 17.111 -3.861 1.00 0.00 H new ATOM 1357 N ILE A 85 12.846 8.059 -6.420 1.00 0.00 N ATOM 1358 CA ILE A 85 13.842 6.996 -6.501 1.00 0.00 C ATOM 1359 C ILE A 85 13.727 6.240 -7.827 1.00 0.00 C ATOM 1360 O ILE A 85 12.916 5.323 -7.954 1.00 0.00 O ATOM 1361 CB ILE A 85 13.690 5.995 -5.338 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.743 6.727 -3.995 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.774 4.928 -5.411 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.419 5.844 -2.808 1.00 0.00 C ATOM 0 H ILE A 85 11.919 7.793 -6.751 1.00 0.00 H new ATOM 0 HA ILE A 85 14.821 7.470 -6.436 1.00 0.00 H new ATOM 0 HB ILE A 85 12.720 5.505 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.738 7.150 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.042 7.562 -4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.653 4.229 -4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.692 4.390 -6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.754 5.400 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.476 6.431 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.412 5.441 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.135 5.023 -2.759 1.00 0.00 H new ATOM 1376 N PRO A 86 14.533 6.622 -8.837 1.00 0.00 N ATOM 1377 CA PRO A 86 14.511 5.978 -10.157 1.00 0.00 C ATOM 1378 C PRO A 86 15.011 4.537 -10.122 1.00 0.00 C ATOM 1379 O PRO A 86 14.949 3.824 -11.125 1.00 0.00 O ATOM 1380 CB PRO A 86 15.452 6.845 -11.007 1.00 0.00 C ATOM 1381 CG PRO A 86 15.649 8.101 -10.226 1.00 0.00 C ATOM 1382 CD PRO A 86 15.520 7.710 -8.784 1.00 0.00 C ATOM 0 HA PRO A 86 13.496 5.916 -10.548 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.401 6.339 -11.182 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.017 7.054 -11.984 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.628 8.537 -10.427 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.905 8.850 -10.496 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.470 7.376 -8.367 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.176 8.540 -8.167 1.00 0.00 H new ATOM 1390 N GLU A 87 15.502 4.113 -8.965 1.00 0.00 N ATOM 1391 CA GLU A 87 16.017 2.757 -8.801 1.00 0.00 C ATOM 1392 C GLU A 87 15.150 1.949 -7.841 1.00 0.00 C ATOM 1393 O GLU A 87 15.574 0.909 -7.336 1.00 0.00 O ATOM 1394 CB GLU A 87 17.459 2.794 -8.290 1.00 0.00 C ATOM 1395 CG GLU A 87 18.439 3.411 -9.274 1.00 0.00 C ATOM 1396 CD GLU A 87 18.494 2.661 -10.591 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.196 1.629 -10.658 1.00 0.00 O ATOM 1398 OE2 GLU A 87 17.835 3.104 -11.554 1.00 0.00 O ATOM 0 H GLU A 87 15.555 4.688 -8.124 1.00 0.00 H new ATOM 0 HA GLU A 87 15.993 2.272 -9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.491 3.357 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.780 1.778 -8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.156 4.447 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 87 19.433 3.428 -8.828 1.00 0.00 H new ATOM 1405 N PHE A 88 13.936 2.428 -7.596 1.00 0.00 N ATOM 1406 CA PHE A 88 13.016 1.749 -6.690 1.00 0.00 C ATOM 1407 C PHE A 88 12.319 0.583 -7.381 1.00 0.00 C ATOM 1408 O PHE A 88 11.929 0.677 -8.546 1.00 0.00 O ATOM 1409 CB PHE A 88 11.973 2.733 -6.158 1.00 0.00 C ATOM 1410 CG PHE A 88 11.072 2.147 -5.107 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.448 2.153 -3.774 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.848 1.594 -5.451 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.623 1.618 -2.804 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.019 1.058 -4.485 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.407 1.069 -3.160 1.00 0.00 C ATOM 0 H PHE A 88 13.566 3.283 -8.011 1.00 0.00 H new ATOM 0 HA PHE A 88 13.599 1.355 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.484 3.602 -5.743 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.364 3.088 -6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.398 2.581 -3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.539 1.582 -6.486 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.929 1.629 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.068 0.631 -4.766 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.761 0.649 -2.403 1.00 0.00 H new ATOM 1425 N ASN A 89 12.167 -0.517 -6.651 1.00 0.00 N ATOM 1426 CA ASN A 89 11.504 -1.704 -7.176 1.00 0.00 C ATOM 1427 C ASN A 89 10.369 -2.123 -6.248 1.00 0.00 C ATOM 1428 O ASN A 89 10.600 -2.752 -5.216 1.00 0.00 O ATOM 1429 CB ASN A 89 12.503 -2.851 -7.338 1.00 0.00 C ATOM 1430 CG ASN A 89 11.885 -4.073 -7.993 1.00 0.00 C ATOM 1431 OD1 ASN A 89 12.278 -5.205 -7.716 1.00 0.00 O ATOM 1432 ND2 ASN A 89 10.912 -3.849 -8.871 1.00 0.00 N ATOM 0 H ASN A 89 12.496 -0.611 -5.690 1.00 0.00 H new ATOM 0 HA ASN A 89 11.091 -1.465 -8.156 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.348 -2.511 -7.936 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.896 -3.127 -6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.461 -4.632 -9.344 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.616 -2.894 -9.072 1.00 0.00 H new ATOM 1439 N MET A 90 9.145 -1.763 -6.620 1.00 0.00 N ATOM 1440 CA MET A 90 7.972 -2.084 -5.815 1.00 0.00 C ATOM 1441 C MET A 90 7.824 -3.592 -5.618 1.00 0.00 C ATOM 1442 O MET A 90 7.218 -4.042 -4.646 1.00 0.00 O ATOM 1443 CB MET A 90 6.711 -1.521 -6.473 1.00 0.00 C ATOM 1444 CG MET A 90 5.496 -1.524 -5.560 1.00 0.00 C ATOM 1445 SD MET A 90 5.733 -0.504 -4.090 1.00 0.00 S ATOM 1446 CE MET A 90 4.139 -0.679 -3.294 1.00 0.00 C ATOM 0 H MET A 90 8.939 -1.248 -7.476 1.00 0.00 H new ATOM 0 HA MET A 90 8.106 -1.626 -4.835 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.907 -0.500 -6.800 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.486 -2.104 -7.366 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.629 -1.162 -6.113 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.276 -2.548 -5.256 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.129 -0.104 -2.368 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.358 -0.310 -3.959 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.958 -1.730 -3.070 1.00 0.00 H new ATOM 1456 N ALA A 91 8.382 -4.368 -6.543 1.00 0.00 N ATOM 1457 CA ALA A 91 8.302 -5.823 -6.471 1.00 0.00 C ATOM 1458 C ALA A 91 9.183 -6.378 -5.354 1.00 0.00 C ATOM 1459 O ALA A 91 8.701 -7.056 -4.448 1.00 0.00 O ATOM 1460 CB ALA A 91 8.698 -6.436 -7.805 1.00 0.00 C ATOM 0 H ALA A 91 8.894 -4.013 -7.351 1.00 0.00 H new ATOM 0 HA ALA A 91 7.270 -6.090 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.635 -7.522 -7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.024 -6.079 -8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.720 -6.146 -8.049 1.00 0.00 H new ATOM 1466 N ALA A 92 10.476 -6.082 -5.427 1.00 0.00 N ATOM 1467 CA ALA A 92 11.431 -6.555 -4.431 1.00 0.00 C ATOM 1468 C ALA A 92 11.200 -5.887 -3.079 1.00 0.00 C ATOM 1469 O ALA A 92 11.553 -6.438 -2.036 1.00 0.00 O ATOM 1470 CB ALA A 92 12.854 -6.308 -4.908 1.00 0.00 C ATOM 0 H ALA A 92 10.888 -5.515 -6.168 1.00 0.00 H new ATOM 0 HA ALA A 92 11.281 -7.627 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.557 -6.665 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.022 -6.841 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.004 -5.240 -5.067 1.00 0.00 H new ATOM 1476 N PHE A 93 10.607 -4.697 -3.103 1.00 0.00 N ATOM 1477 CA PHE A 93 10.339 -3.953 -1.878 1.00 0.00 C ATOM 1478 C PHE A 93 9.242 -4.621 -1.053 1.00 0.00 C ATOM 1479 O PHE A 93 9.416 -4.862 0.139 1.00 0.00 O ATOM 1480 CB PHE A 93 9.942 -2.513 -2.202 1.00 0.00 C ATOM 1481 CG PHE A 93 9.839 -1.635 -0.988 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.978 -1.104 -0.403 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.605 -1.342 -0.430 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.888 -0.297 0.715 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.509 -0.536 0.688 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.652 -0.013 1.261 1.00 0.00 C ATOM 0 H PHE A 93 10.303 -4.228 -3.957 1.00 0.00 H new ATOM 0 HA PHE A 93 11.255 -3.946 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.675 -2.088 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.984 -2.516 -2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.947 -1.324 -0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.708 -1.748 -0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.783 0.111 1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.541 -0.315 1.114 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.579 0.617 2.135 1.00 0.00 H new ATOM 1496 N THR A 94 8.114 -4.918 -1.693 1.00 0.00 N ATOM 1497 CA THR A 94 6.991 -5.552 -1.008 1.00 0.00 C ATOM 1498 C THR A 94 7.364 -6.939 -0.498 1.00 0.00 C ATOM 1499 O THR A 94 6.982 -7.326 0.607 1.00 0.00 O ATOM 1500 CB THR A 94 5.760 -5.665 -1.923 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.120 -6.297 -3.157 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.168 -4.291 -2.202 1.00 0.00 C ATOM 0 H THR A 94 7.953 -4.730 -2.683 1.00 0.00 H new ATOM 0 HA THR A 94 6.743 -4.913 -0.160 1.00 0.00 H new ATOM 0 HB THR A 94 5.010 -6.270 -1.414 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.510 -5.633 -3.763 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.298 -4.394 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.867 -3.827 -1.263 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.914 -3.666 -2.692 1.00 0.00 H new ATOM 1510 N THR A 95 8.110 -7.686 -1.306 1.00 0.00 N ATOM 1511 CA THR A 95 8.537 -9.027 -0.927 1.00 0.00 C ATOM 1512 C THR A 95 9.358 -8.992 0.358 1.00 0.00 C ATOM 1513 O THR A 95 9.181 -9.825 1.246 1.00 0.00 O ATOM 1514 CB THR A 95 9.375 -9.683 -2.040 1.00 0.00 C ATOM 1515 OG1 THR A 95 10.408 -8.789 -2.470 1.00 0.00 O ATOM 1516 CG2 THR A 95 8.500 -10.062 -3.227 1.00 0.00 C ATOM 0 H THR A 95 8.431 -7.385 -2.226 1.00 0.00 H new ATOM 0 HA THR A 95 7.635 -9.618 -0.767 1.00 0.00 H new ATOM 0 HB THR A 95 9.825 -10.590 -1.636 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.352 -7.955 -1.959 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.115 -10.523 -4.000 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.734 -10.767 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.024 -9.167 -3.628 1.00 0.00 H new ATOM 1524 N THR A 96 10.265 -8.027 0.438 1.00 0.00 N ATOM 1525 CA THR A 96 11.121 -7.860 1.607 1.00 0.00 C ATOM 1526 C THR A 96 10.367 -7.203 2.764 1.00 0.00 C ATOM 1527 O THR A 96 10.673 -7.440 3.932 1.00 0.00 O ATOM 1528 CB THR A 96 12.358 -7.006 1.264 1.00 0.00 C ATOM 1529 OG1 THR A 96 13.095 -7.616 0.200 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.261 -6.836 2.477 1.00 0.00 C ATOM 0 H THR A 96 10.428 -7.342 -0.300 1.00 0.00 H new ATOM 0 HA THR A 96 11.439 -8.856 1.914 1.00 0.00 H new ATOM 0 HB THR A 96 12.011 -6.021 0.951 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.718 -7.337 -0.661 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.125 -6.230 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.708 -6.342 3.276 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.598 -7.814 2.820 1.00 0.00 H new ATOM 1538 N LEU A 97 9.378 -6.380 2.428 1.00 0.00 N ATOM 1539 CA LEU A 97 8.590 -5.664 3.429 1.00 0.00 C ATOM 1540 C LEU A 97 7.802 -6.615 4.331 1.00 0.00 C ATOM 1541 O LEU A 97 7.799 -6.458 5.552 1.00 0.00 O ATOM 1542 CB LEU A 97 7.628 -4.690 2.746 1.00 0.00 C ATOM 1543 CG LEU A 97 7.397 -3.369 3.486 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.488 -2.459 2.675 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.802 -3.618 4.863 1.00 0.00 C ATOM 0 H LEU A 97 9.101 -6.191 1.465 1.00 0.00 H new ATOM 0 HA LEU A 97 9.291 -5.113 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.010 -4.467 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.667 -5.187 2.615 1.00 0.00 H new ATOM 0 HG LEU A 97 8.361 -2.877 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.334 -1.525 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.950 -2.249 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.528 -2.950 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.647 -2.666 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.847 -4.134 4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.485 -4.234 5.449 1.00 0.00 H new ATOM 1557 N GLN A 98 7.133 -7.598 3.728 1.00 0.00 N ATOM 1558 CA GLN A 98 6.332 -8.556 4.490 1.00 0.00 C ATOM 1559 C GLN A 98 7.143 -9.173 5.625 1.00 0.00 C ATOM 1560 O GLN A 98 6.584 -9.668 6.604 1.00 0.00 O ATOM 1561 CB GLN A 98 5.787 -9.654 3.572 1.00 0.00 C ATOM 1562 CG GLN A 98 6.857 -10.581 3.017 1.00 0.00 C ATOM 1563 CD GLN A 98 7.201 -11.714 3.965 1.00 0.00 C ATOM 1564 OE1 GLN A 98 6.355 -12.180 4.727 1.00 0.00 O ATOM 1565 NE2 GLN A 98 8.450 -12.164 3.923 1.00 0.00 N ATOM 0 H GLN A 98 7.130 -7.751 2.720 1.00 0.00 H new ATOM 0 HA GLN A 98 5.493 -8.015 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.058 -10.247 4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.256 -9.189 2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.515 -10.997 2.069 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.757 -10.004 2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.120 -11.749 3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.739 -12.925 4.538 1.00 0.00 H new ATOM 1574 N HIS A 99 8.461 -9.144 5.483 1.00 0.00 N ATOM 1575 CA HIS A 99 9.354 -9.687 6.496 1.00 0.00 C ATOM 1576 C HIS A 99 9.895 -8.565 7.378 1.00 0.00 C ATOM 1577 O HIS A 99 10.022 -8.717 8.595 1.00 0.00 O ATOM 1578 CB HIS A 99 10.502 -10.449 5.828 1.00 0.00 C ATOM 1579 CG HIS A 99 11.660 -10.728 6.734 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.574 -11.545 7.842 1.00 0.00 N ATOM 1581 CD2 HIS A 99 12.941 -10.293 6.689 1.00 0.00 C ATOM 1582 CE1 HIS A 99 12.751 -11.601 8.438 1.00 0.00 C ATOM 1583 NE2 HIS A 99 13.597 -10.850 7.758 1.00 0.00 N ATOM 0 H HIS A 99 8.937 -8.748 4.672 1.00 0.00 H new ATOM 0 HA HIS A 99 8.797 -10.381 7.126 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.120 -11.394 5.442 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.855 -9.875 4.971 1.00 0.00 H new ATOM 0 HD2 HIS A 99 13.367 -9.631 5.950 1.00 0.00 H new ATOM 0 HE1 HIS A 99 12.982 -12.165 9.330 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.580 -10.707 7.990 1.00 0.00 H new ATOM 1592 N HIS A 100 10.184 -7.427 6.756 1.00 0.00 N ATOM 1593 CA HIS A 100 10.714 -6.276 7.475 1.00 0.00 C ATOM 1594 C HIS A 100 9.652 -5.660 8.377 1.00 0.00 C ATOM 1595 O HIS A 100 9.915 -4.689 9.086 1.00 0.00 O ATOM 1596 CB HIS A 100 11.240 -5.227 6.495 1.00 0.00 C ATOM 1597 CG HIS A 100 12.718 -5.314 6.267 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.570 -4.240 6.434 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.497 -6.353 5.886 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.807 -4.616 6.164 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.789 -5.894 5.830 1.00 0.00 N ATOM 0 H HIS A 100 10.060 -7.278 5.755 1.00 0.00 H new ATOM 0 HA HIS A 100 11.538 -6.622 8.099 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.725 -5.341 5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.996 -4.234 6.872 1.00 0.00 H new ATOM 0 HD1 HIS A 100 13.288 -3.303 6.721 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.164 -7.357 5.667 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.683 -3.986 6.209 1.00 0.00 H new ATOM 1610 N LYS A 101 8.448 -6.225 8.342 1.00 0.00 N ATOM 1611 CA LYS A 101 7.355 -5.733 9.170 1.00 0.00 C ATOM 1612 C LYS A 101 7.682 -5.919 10.647 1.00 0.00 C ATOM 1613 O LYS A 101 7.046 -5.320 11.514 1.00 0.00 O ATOM 1614 CB LYS A 101 6.049 -6.454 8.827 1.00 0.00 C ATOM 1615 CG LYS A 101 6.082 -7.948 9.110 1.00 0.00 C ATOM 1616 CD LYS A 101 4.731 -8.599 8.845 1.00 0.00 C ATOM 1617 CE LYS A 101 3.680 -8.134 9.842 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.351 -8.748 9.573 1.00 0.00 N ATOM 0 H LYS A 101 8.207 -7.021 7.751 1.00 0.00 H new ATOM 0 HA LYS A 101 7.227 -4.669 8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.236 -6.003 9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.825 -6.298 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.842 -8.420 8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.370 -8.116 10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.404 -8.361 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.832 -9.683 8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.000 -8.389 10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.594 -7.048 9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.662 -8.406 10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.034 -8.484 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.427 -9.783 9.639 1.00 0.00 H new ATOM 1632 N ASP A 102 8.680 -6.756 10.926 1.00 0.00 N ATOM 1633 CA ASP A 102 9.092 -7.014 12.302 1.00 0.00 C ATOM 1634 C ASP A 102 9.787 -5.791 12.895 1.00 0.00 C ATOM 1635 O ASP A 102 9.993 -5.709 14.106 1.00 0.00 O ATOM 1636 CB ASP A 102 10.029 -8.222 12.361 1.00 0.00 C ATOM 1637 CG ASP A 102 11.400 -7.921 11.787 1.00 0.00 C ATOM 1638 OD1 ASP A 102 11.518 -7.832 10.547 1.00 0.00 O ATOM 1639 OD2 ASP A 102 12.355 -7.773 12.578 1.00 0.00 O ATOM 0 H ASP A 102 9.215 -7.264 10.221 1.00 0.00 H new ATOM 0 HA ASP A 102 8.199 -7.228 12.889 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.135 -8.545 13.396 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.583 -9.051 11.812 1.00 0.00 H new ATOM 1644 N GLU A 103 10.146 -4.844 12.033 1.00 0.00 N ATOM 1645 CA GLU A 103 10.821 -3.627 12.470 1.00 0.00 C ATOM 1646 C GLU A 103 9.944 -2.401 12.233 1.00 0.00 C ATOM 1647 O GLU A 103 9.548 -1.720 13.179 1.00 0.00 O ATOM 1648 CB GLU A 103 12.154 -3.469 11.733 1.00 0.00 C ATOM 1649 CG GLU A 103 13.140 -2.548 12.435 1.00 0.00 C ATOM 1650 CD GLU A 103 12.657 -1.112 12.511 1.00 0.00 C ATOM 1651 OE1 GLU A 103 12.860 -0.364 11.531 1.00 0.00 O ATOM 1652 OE2 GLU A 103 12.074 -0.735 13.549 1.00 0.00 O ATOM 0 H GLU A 103 9.981 -4.896 11.028 1.00 0.00 H new ATOM 0 HA GLU A 103 11.012 -3.710 13.540 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.611 -4.451 11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.961 -3.084 10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.320 -2.919 13.444 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.094 -2.577 11.909 1.00 0.00 H new ATOM 1659 N VAL A 104 9.650 -2.125 10.964 1.00 0.00 N ATOM 1660 CA VAL A 104 8.823 -0.978 10.602 1.00 0.00 C ATOM 1661 C VAL A 104 7.466 -1.037 11.298 1.00 0.00 C ATOM 1662 O VAL A 104 6.999 -2.112 11.676 1.00 0.00 O ATOM 1663 CB VAL A 104 8.610 -0.897 9.075 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.734 -2.043 8.589 1.00 0.00 C ATOM 1665 CG2 VAL A 104 8.009 0.445 8.683 1.00 0.00 C ATOM 0 H VAL A 104 9.972 -2.680 10.171 1.00 0.00 H new ATOM 0 HA VAL A 104 9.355 -0.086 10.931 1.00 0.00 H new ATOM 0 HB VAL A 104 9.584 -0.986 8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.598 -1.965 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 104 8.213 -2.993 8.826 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.763 -1.993 9.082 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.868 0.479 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.046 0.571 9.179 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.681 1.247 8.986 1.00 0.00 H new ATOM 1675 N ALA A 105 6.840 0.125 11.466 1.00 0.00 N ATOM 1676 CA ALA A 105 5.538 0.208 12.115 1.00 0.00 C ATOM 1677 C ALA A 105 4.531 -0.727 11.453 1.00 0.00 C ATOM 1678 O ALA A 105 4.078 -0.476 10.335 1.00 0.00 O ATOM 1679 CB ALA A 105 5.026 1.639 12.087 1.00 0.00 C ATOM 0 H ALA A 105 7.216 1.023 11.160 1.00 0.00 H new ATOM 0 HA ALA A 105 5.658 -0.106 13.152 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.053 1.687 12.575 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.728 2.287 12.613 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.930 1.971 11.053 1.00 0.00 H new ATOM 1685 N GLY A 106 4.188 -1.807 12.148 1.00 0.00 N ATOM 1686 CA GLY A 106 3.238 -2.763 11.613 1.00 0.00 C ATOM 1687 C GLY A 106 1.875 -2.147 11.378 1.00 0.00 C ATOM 1688 O GLY A 106 1.148 -2.556 10.472 1.00 0.00 O ATOM 0 H GLY A 106 4.552 -2.037 13.073 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.620 -3.165 10.674 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.142 -3.601 12.303 1.00 0.00 H new ATOM 1692 N ASP A 107 1.526 -1.160 12.198 1.00 0.00 N ATOM 1693 CA ASP A 107 0.242 -0.482 12.078 1.00 0.00 C ATOM 1694 C ASP A 107 0.155 0.286 10.764 1.00 0.00 C ATOM 1695 O ASP A 107 -0.918 0.402 10.172 1.00 0.00 O ATOM 1696 CB ASP A 107 0.030 0.472 13.253 1.00 0.00 C ATOM 1697 CG ASP A 107 1.130 1.511 13.359 1.00 0.00 C ATOM 1698 OD1 ASP A 107 1.020 2.562 12.692 1.00 0.00 O ATOM 1699 OD2 ASP A 107 2.102 1.273 14.107 1.00 0.00 O ATOM 0 H ASP A 107 2.116 -0.812 12.954 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.542 -1.240 12.090 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.931 0.974 13.141 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.016 -0.101 14.179 1.00 0.00 H new ATOM 1704 N ILE A 108 1.290 0.812 10.313 1.00 0.00 N ATOM 1705 CA ILE A 108 1.335 1.570 9.070 1.00 0.00 C ATOM 1706 C ILE A 108 1.176 0.649 7.865 1.00 0.00 C ATOM 1707 O ILE A 108 0.348 0.900 6.987 1.00 0.00 O ATOM 1708 CB ILE A 108 2.654 2.362 8.939 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.762 3.411 10.049 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.755 3.017 7.566 1.00 0.00 C ATOM 1711 CD1 ILE A 108 1.684 4.467 9.989 1.00 0.00 C ATOM 0 H ILE A 108 2.188 0.727 10.789 1.00 0.00 H new ATOM 0 HA ILE A 108 0.505 2.276 9.095 1.00 0.00 H new ATOM 0 HB ILE A 108 3.485 1.665 9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.715 2.911 11.016 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.737 3.895 9.987 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.692 3.570 7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.728 2.249 6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.918 3.701 7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.823 5.176 10.805 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.743 4.994 9.037 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.706 3.994 10.082 1.00 0.00 H new ATOM 1723 N PHE A 109 1.963 -0.422 7.829 1.00 0.00 N ATOM 1724 CA PHE A 109 1.891 -1.372 6.727 1.00 0.00 C ATOM 1725 C PHE A 109 0.543 -2.083 6.719 1.00 0.00 C ATOM 1726 O PHE A 109 0.057 -2.490 5.665 1.00 0.00 O ATOM 1727 CB PHE A 109 3.026 -2.398 6.796 1.00 0.00 C ATOM 1728 CG PHE A 109 2.976 -3.407 5.679 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.871 -2.994 4.358 1.00 0.00 C ATOM 1730 CD2 PHE A 109 3.020 -4.764 5.950 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.813 -3.916 3.329 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.962 -5.692 4.926 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.858 -5.267 3.614 1.00 0.00 C ATOM 0 H PHE A 109 2.652 -0.652 8.545 1.00 0.00 H new ATOM 0 HA PHE A 109 2.000 -0.808 5.800 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.982 -1.876 6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.979 -2.920 7.752 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.834 -1.939 4.131 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.101 -5.102 6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.733 -3.581 2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.998 -6.748 5.151 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.812 -5.990 2.813 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.056 -2.223 7.902 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.348 -2.892 8.037 1.00 0.00 C ATOM 1745 C ASP A 110 -2.347 -2.364 7.013 1.00 0.00 C ATOM 1746 O ASP A 110 -3.246 -3.088 6.582 1.00 0.00 O ATOM 1747 CB ASP A 110 -1.901 -2.694 9.450 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.320 -3.212 9.595 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.486 -4.425 9.841 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.262 -2.404 9.461 1.00 0.00 O ATOM 0 H ASP A 110 0.334 -1.881 8.780 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.197 -3.956 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.256 -3.205 10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.877 -1.634 9.701 1.00 0.00 H new ATOM 1755 N MET A 111 -2.187 -1.103 6.628 1.00 0.00 N ATOM 1756 CA MET A 111 -3.067 -0.496 5.640 1.00 0.00 C ATOM 1757 C MET A 111 -2.769 -1.069 4.259 1.00 0.00 C ATOM 1758 O MET A 111 -3.667 -1.532 3.553 1.00 0.00 O ATOM 1759 CB MET A 111 -2.881 1.023 5.627 1.00 0.00 C ATOM 1760 CG MET A 111 -3.787 1.738 4.637 1.00 0.00 C ATOM 1761 SD MET A 111 -3.419 3.498 4.497 1.00 0.00 S ATOM 1762 CE MET A 111 -1.734 3.445 3.893 1.00 0.00 C ATOM 0 H MET A 111 -1.459 -0.484 6.984 1.00 0.00 H new ATOM 0 HA MET A 111 -4.100 -0.720 5.904 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.070 1.413 6.627 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.843 1.252 5.387 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.686 1.271 3.657 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.825 1.612 4.945 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.594 4.218 3.138 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.045 3.617 4.720 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.536 2.468 3.453 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.492 -1.042 3.891 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.047 -1.554 2.603 1.00 0.00 C ATOM 1774 C LEU A 112 -1.243 -3.064 2.526 1.00 0.00 C ATOM 1775 O LEU A 112 -1.338 -3.634 1.441 1.00 0.00 O ATOM 1776 CB LEU A 112 0.425 -1.206 2.369 1.00 0.00 C ATOM 1777 CG LEU A 112 0.735 0.290 2.281 1.00 0.00 C ATOM 1778 CD1 LEU A 112 0.971 0.877 3.664 1.00 0.00 C ATOM 1779 CD2 LEU A 112 1.939 0.531 1.382 1.00 0.00 C ATOM 0 H LEU A 112 -0.743 -0.667 4.473 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.649 -1.084 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.016 -1.636 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.752 -1.683 1.445 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.128 0.793 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.189 1.941 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.079 0.739 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.814 0.372 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.146 1.600 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.807 0.013 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.727 0.153 0.382 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.307 -3.701 3.691 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.479 -5.148 3.781 1.00 0.00 C ATOM 1793 C LEU A 113 -2.653 -5.613 2.923 1.00 0.00 C ATOM 1794 O LEU A 113 -2.678 -6.754 2.459 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.695 -5.563 5.240 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.739 -7.072 5.495 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.439 -7.731 5.058 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.006 -7.350 6.967 1.00 0.00 C ATOM 0 H LEU A 113 -1.242 -3.233 4.595 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.573 -5.623 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.896 -5.133 5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.630 -5.125 5.590 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.551 -7.497 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.493 -8.803 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.284 -7.559 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.392 -7.304 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.035 -8.427 7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.212 -6.910 7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.963 -6.913 7.252 1.00 0.00 H new ATOM 1810 N THR A 114 -3.625 -4.726 2.721 1.00 0.00 N ATOM 1811 CA THR A 114 -4.801 -5.045 1.915 1.00 0.00 C ATOM 1812 C THR A 114 -4.419 -5.419 0.480 1.00 0.00 C ATOM 1813 O THR A 114 -5.286 -5.718 -0.341 1.00 0.00 O ATOM 1814 CB THR A 114 -5.792 -3.866 1.877 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.156 -2.708 1.323 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.311 -3.548 3.272 1.00 0.00 C ATOM 0 H THR A 114 -3.621 -3.781 3.104 1.00 0.00 H new ATOM 0 HA THR A 114 -5.278 -5.902 2.390 1.00 0.00 H new ATOM 0 HB THR A 114 -6.636 -4.151 1.249 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.635 -2.257 2.019 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.009 -2.712 3.219 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.821 -4.421 3.678 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.475 -3.282 3.919 1.00 0.00 H new ATOM 1824 N PHE A 115 -3.120 -5.396 0.180 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.634 -5.742 -1.152 1.00 0.00 C ATOM 1826 C PHE A 115 -2.913 -7.208 -1.468 1.00 0.00 C ATOM 1827 O PHE A 115 -3.136 -7.570 -2.624 1.00 0.00 O ATOM 1828 CB PHE A 115 -1.128 -5.470 -1.266 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.777 -4.043 -1.603 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.484 -3.347 -2.571 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.271 -3.402 -0.955 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -1.157 -2.042 -2.885 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.601 -2.097 -1.265 1.00 0.00 C ATOM 1834 CZ PHE A 115 -0.115 -1.416 -2.231 1.00 0.00 C ATOM 0 H PHE A 115 -2.387 -5.141 0.842 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.165 -5.119 -1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.651 -5.736 -0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.710 -6.125 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.301 -3.831 -3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.834 -3.930 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.716 -1.512 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.418 -1.610 -0.753 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.140 -0.395 -2.474 1.00 0.00 H new ATOM 1844 N THR A 116 -2.898 -8.048 -0.437 1.00 0.00 N ATOM 1845 CA THR A 116 -3.142 -9.477 -0.613 1.00 0.00 C ATOM 1846 C THR A 116 -4.189 -9.993 0.370 1.00 0.00 C ATOM 1847 O THR A 116 -4.873 -10.981 0.097 1.00 0.00 O ATOM 1848 CB THR A 116 -1.849 -10.293 -0.432 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.335 -10.111 0.893 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.797 -9.876 -1.449 1.00 0.00 C ATOM 0 H THR A 116 -2.720 -7.765 0.527 1.00 0.00 H new ATOM 0 HA THR A 116 -3.512 -9.604 -1.630 1.00 0.00 H new ATOM 0 HB THR A 116 -2.087 -11.345 -0.589 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.514 -10.635 1.000 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.107 -10.467 -1.301 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.178 -10.043 -2.456 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.565 -8.819 -1.320 1.00 0.00 H new ATOM 1858 N ASP A 117 -4.311 -9.325 1.513 1.00 0.00 N ATOM 1859 CA ASP A 117 -5.273 -9.729 2.533 1.00 0.00 C ATOM 1860 C ASP A 117 -6.682 -9.271 2.163 1.00 0.00 C ATOM 1861 O ASP A 117 -7.126 -8.197 2.571 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.873 -9.161 3.897 1.00 0.00 C ATOM 1863 CG ASP A 117 -5.525 -9.901 5.049 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -6.715 -9.646 5.323 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -4.844 -10.740 5.677 1.00 0.00 O ATOM 0 H ASP A 117 -3.757 -8.504 1.756 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.271 -10.817 2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.789 -9.211 4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.149 -8.108 3.943 1.00 0.00 H new ATOM 1870 N PHE A 118 -7.376 -10.096 1.382 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.734 -9.786 0.942 1.00 0.00 C ATOM 1872 C PHE A 118 -9.674 -9.618 2.131 1.00 0.00 C ATOM 1873 O PHE A 118 -10.619 -8.829 2.080 1.00 0.00 O ATOM 1874 CB PHE A 118 -9.254 -10.890 0.017 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.623 -10.614 -0.539 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.784 -9.780 -1.634 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.745 -11.189 0.034 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -12.041 -9.524 -2.148 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -13.005 -10.937 -0.475 1.00 0.00 C ATOM 1880 CZ PHE A 118 -13.153 -10.103 -1.567 1.00 0.00 C ATOM 0 H PHE A 118 -7.018 -10.988 1.040 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.704 -8.843 0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.555 -11.020 -0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -9.277 -11.831 0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.917 -9.325 -2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.634 -11.841 0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.154 -8.873 -3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.873 -11.391 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 118 -14.137 -9.904 -1.966 1.00 0.00 H new ATOM 1890 N LEU A 119 -9.413 -10.365 3.197 1.00 0.00 N ATOM 1891 CA LEU A 119 -10.239 -10.299 4.399 1.00 0.00 C ATOM 1892 C LEU A 119 -10.190 -8.908 5.025 1.00 0.00 C ATOM 1893 O LEU A 119 -11.189 -8.419 5.548 1.00 0.00 O ATOM 1894 CB LEU A 119 -9.784 -11.348 5.421 1.00 0.00 C ATOM 1895 CG LEU A 119 -10.209 -12.792 5.125 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -11.725 -12.911 5.083 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -9.598 -13.277 3.819 1.00 0.00 C ATOM 0 H LEU A 119 -8.636 -11.024 3.255 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.268 -10.509 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.697 -11.315 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -10.173 -11.068 6.400 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.839 -13.425 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -12.003 -13.943 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.140 -12.613 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.119 -12.262 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.913 -14.303 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.932 -12.638 3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.511 -13.238 3.889 1.00 0.00 H new ATOM 1909 N ALA A 120 -9.021 -8.277 4.964 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.841 -6.944 5.529 1.00 0.00 C ATOM 1911 C ALA A 120 -9.460 -5.880 4.632 1.00 0.00 C ATOM 1912 O ALA A 120 -9.947 -4.856 5.111 1.00 0.00 O ATOM 1913 CB ALA A 120 -7.363 -6.657 5.742 1.00 0.00 C ATOM 0 H ALA A 120 -8.185 -8.667 4.529 1.00 0.00 H new ATOM 0 HA ALA A 120 -9.350 -6.914 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.243 -5.659 6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.944 -7.394 6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.840 -6.712 4.787 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.434 -6.133 3.329 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.988 -5.200 2.354 1.00 0.00 C ATOM 1921 C PHE A 121 -11.504 -5.097 2.497 1.00 0.00 C ATOM 1922 O PHE A 121 -12.055 -4.006 2.679 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.619 -5.661 0.940 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.742 -4.595 -0.112 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.204 -3.335 0.088 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.385 -4.862 -1.310 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.305 -2.360 -0.885 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.491 -3.891 -2.287 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.950 -2.639 -2.074 1.00 0.00 C ATOM 0 H PHE A 121 -9.034 -6.978 2.922 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.566 -4.212 2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.594 -6.031 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.258 -6.500 0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.699 -3.112 1.016 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.808 -5.841 -1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.880 -1.381 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.996 -4.111 -3.216 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.031 -1.878 -2.836 1.00 0.00 H new ATOM 1939 N LYS A 122 -12.175 -6.243 2.433 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.627 -6.289 2.553 1.00 0.00 C ATOM 1941 C LYS A 122 -14.075 -5.776 3.917 1.00 0.00 C ATOM 1942 O LYS A 122 -14.932 -4.899 4.010 1.00 0.00 O ATOM 1943 CB LYS A 122 -14.135 -7.717 2.337 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.649 -7.837 2.390 1.00 0.00 C ATOM 1945 CD LYS A 122 -16.102 -9.279 2.233 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.617 -9.395 2.294 1.00 0.00 C ATOM 1947 NZ LYS A 122 -18.073 -10.809 2.184 1.00 0.00 N ATOM 0 H LYS A 122 -11.735 -7.153 2.298 1.00 0.00 H new ATOM 0 HA LYS A 122 -14.051 -5.643 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.784 -8.077 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.700 -8.367 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -16.013 -7.442 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -16.091 -7.228 1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.744 -9.673 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.657 -9.889 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.976 -8.970 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -18.058 -8.808 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -19.111 -10.843 2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.753 -11.207 1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.673 -11.365 2.967 1.00 0.00 H new ATOM 1961 N GLU A 123 -13.485 -6.330 4.974 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.821 -5.932 6.337 1.00 0.00 C ATOM 1963 C GLU A 123 -13.635 -4.430 6.530 1.00 0.00 C ATOM 1964 O GLU A 123 -14.329 -3.808 7.333 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.956 -6.698 7.341 1.00 0.00 C ATOM 1966 CG GLU A 123 -13.289 -6.394 8.794 1.00 0.00 C ATOM 1967 CD GLU A 123 -14.731 -6.711 9.139 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -15.012 -7.869 9.513 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -15.581 -5.801 9.035 1.00 0.00 O ATOM 0 H GLU A 123 -12.772 -7.056 4.912 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.870 -6.174 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -13.074 -7.768 7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.908 -6.459 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.629 -6.970 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.094 -5.341 8.995 1.00 0.00 H new ATOM 1976 N MET A 124 -12.691 -3.855 5.791 1.00 0.00 N ATOM 1977 CA MET A 124 -12.418 -2.427 5.883 1.00 0.00 C ATOM 1978 C MET A 124 -13.616 -1.615 5.405 1.00 0.00 C ATOM 1979 O MET A 124 -14.033 -0.660 6.061 1.00 0.00 O ATOM 1980 CB MET A 124 -11.182 -2.065 5.060 1.00 0.00 C ATOM 1981 CG MET A 124 -10.782 -0.602 5.173 1.00 0.00 C ATOM 1982 SD MET A 124 -9.323 -0.200 4.192 1.00 0.00 S ATOM 1983 CE MET A 124 -9.925 -0.528 2.538 1.00 0.00 C ATOM 0 H MET A 124 -12.104 -4.356 5.124 1.00 0.00 H new ATOM 0 HA MET A 124 -12.230 -2.186 6.929 1.00 0.00 H new ATOM 0 HB2 MET A 124 -10.347 -2.687 5.382 1.00 0.00 H new ATOM 0 HB3 MET A 124 -11.371 -2.301 4.013 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.615 0.024 4.851 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.589 -0.362 6.219 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.288 -0.023 1.812 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.908 -1.602 2.351 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.946 -0.159 2.443 1.00 0.00 H new ATOM 1993 N PHE A 125 -14.165 -1.998 4.256 1.00 0.00 N ATOM 1994 CA PHE A 125 -15.318 -1.302 3.694 1.00 0.00 C ATOM 1995 C PHE A 125 -16.554 -1.477 4.573 1.00 0.00 C ATOM 1996 O PHE A 125 -17.331 -0.539 4.754 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.610 -1.801 2.280 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.524 -1.471 1.300 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.215 -0.153 1.007 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.809 -2.478 0.677 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.213 0.154 0.107 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.806 -2.179 -0.222 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.507 -0.860 -0.507 1.00 0.00 C ATOM 0 H PHE A 125 -13.832 -2.784 3.698 1.00 0.00 H new ATOM 0 HA PHE A 125 -15.074 -0.240 3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.751 -2.881 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.547 -1.365 1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.764 0.644 1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.039 -3.510 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.983 1.185 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.255 -2.974 -0.702 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.722 -0.623 -1.210 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.733 -2.679 5.113 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.876 -2.963 5.973 1.00 0.00 C ATOM 2015 C LEU A 126 -17.882 -2.036 7.183 1.00 0.00 C ATOM 2016 O LEU A 126 -18.886 -1.383 7.472 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.853 -4.423 6.431 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.857 -5.460 5.306 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.793 -6.867 5.880 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -19.092 -5.297 4.431 1.00 0.00 C ATOM 0 H LEU A 126 -16.104 -3.469 4.971 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.785 -2.790 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.966 -4.580 7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -18.718 -4.600 7.070 1.00 0.00 H new ATOM 0 HG LEU A 126 -16.975 -5.299 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -17.797 -7.592 5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -16.879 -6.981 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -18.657 -7.038 6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -19.076 -6.043 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -19.988 -5.431 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -19.097 -4.300 3.991 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.755 -1.982 7.888 1.00 0.00 N ATOM 2033 CA ASP A 127 -16.629 -1.126 9.060 1.00 0.00 C ATOM 2034 C ASP A 127 -16.801 0.337 8.670 1.00 0.00 C ATOM 2035 O ASP A 127 -17.364 1.131 9.424 1.00 0.00 O ATOM 2036 CB ASP A 127 -15.268 -1.333 9.727 1.00 0.00 C ATOM 2037 CG ASP A 127 -15.033 -0.369 10.875 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -15.465 -0.674 12.006 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -14.416 0.692 10.640 1.00 0.00 O ATOM 0 H ASP A 127 -15.918 -2.521 7.667 1.00 0.00 H new ATOM 0 HA ASP A 127 -17.412 -1.395 9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -15.199 -2.356 10.096 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -14.480 -1.208 8.984 1.00 0.00 H new ATOM 2044 N TYR A 128 -16.314 0.682 7.482 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.413 2.046 6.980 1.00 0.00 C ATOM 2046 C TYR A 128 -17.873 2.459 6.840 1.00 0.00 C ATOM 2047 O TYR A 128 -18.248 3.580 7.186 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.699 2.164 5.631 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.694 3.565 5.062 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.767 4.507 5.489 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.617 3.945 4.094 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.759 5.788 4.970 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.613 5.223 3.568 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.684 6.140 4.009 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.677 7.414 3.489 1.00 0.00 O ATOM 0 H TYR A 128 -15.846 0.033 6.849 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.932 2.714 7.694 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.669 1.825 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -16.178 1.494 4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.040 4.234 6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.349 3.230 3.748 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.033 6.509 5.315 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.335 5.502 2.815 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.391 7.499 2.823 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.695 1.544 6.335 1.00 0.00 N ATOM 2066 CA ARG A 129 -20.116 1.810 6.154 1.00 0.00 C ATOM 2067 C ARG A 129 -20.788 2.074 7.495 1.00 0.00 C ATOM 2068 O ARG A 129 -21.614 2.979 7.620 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.795 0.629 5.459 1.00 0.00 C ATOM 2070 CG ARG A 129 -22.258 0.876 5.127 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.985 -0.424 4.829 1.00 0.00 C ATOM 2072 NE ARG A 129 -22.367 -1.157 3.728 1.00 0.00 N ATOM 2073 CZ ARG A 129 -22.395 -2.482 3.616 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.004 -3.218 4.536 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -21.812 -3.072 2.580 1.00 0.00 N ATOM 0 H ARG A 129 -18.400 0.612 6.044 1.00 0.00 H new ATOM 0 HA ARG A 129 -20.218 2.697 5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -20.256 0.401 4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.720 -0.250 6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.742 1.382 5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.330 1.541 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -22.991 -1.049 5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -24.025 -0.209 4.583 1.00 0.00 H new ATOM 0 HE ARG A 129 -21.887 -0.623 3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -23.453 -2.768 5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.023 -4.234 4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -21.343 -2.509 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -21.833 -4.088 2.494 1.00 0.00 H new ATOM 2089 N ALA A 130 -20.427 1.275 8.496 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.988 1.419 9.833 1.00 0.00 C ATOM 2091 C ALA A 130 -20.778 2.833 10.361 1.00 0.00 C ATOM 2092 O ALA A 130 -21.674 3.419 10.967 1.00 0.00 O ATOM 2093 CB ALA A 130 -20.369 0.401 10.779 1.00 0.00 C ATOM 0 H ALA A 130 -19.747 0.520 8.404 1.00 0.00 H new ATOM 0 HA ALA A 130 -22.061 1.235 9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.798 0.521 11.774 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -20.573 -0.606 10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -19.291 0.557 10.827 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.586 3.375 10.124 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.260 4.724 10.570 1.00 0.00 C ATOM 2101 C GLU A 131 -19.999 5.763 9.733 1.00 0.00 C ATOM 2102 O GLU A 131 -20.317 6.851 10.214 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.750 4.962 10.484 1.00 0.00 C ATOM 2104 CG GLU A 131 -17.315 6.316 11.024 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.821 6.537 10.906 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -15.086 6.143 11.837 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.383 7.105 9.882 1.00 0.00 O ATOM 0 H GLU A 131 -18.832 2.901 9.627 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.577 4.825 11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.235 4.177 11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.436 4.877 9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -17.839 7.104 10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.609 6.397 12.070 1.00 0.00 H new