USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 570 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 96 ASN : amide:sc= 0.16 K(o=0.3,f=-6.3!) USER MOD Set 1.2: A 97 SER OG : rot 92:sc= 0.14 USER MOD Set 2.1: A 79 GLN : amide:sc= 1.68 K(o=-1.4,f=-11!) USER MOD Set 2.2: A 89 GLN : amide:sc= -3.09! C(o=-1.4!,f=-13!) USER MOD Set 3.1: A 61 THR OG1 : rot -47:sc= -1.02! USER MOD Set 3.2: A 75 TYR OH : rot -68:sc= 0.97 USER MOD Set 4.1: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 51 THR OG1 : rot 180:sc= 0.764 USER MOD Set 4.3: A 54 GLN : amide:sc= -2.26! X(o=-1.5!,f=-1.6) USER MOD Single : A 36 ASN : amide:sc= -0.275 K(o=-0.28,f=-3.1!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 136:sc= 1.29 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 57:sc= 0.0464 USER MOD Single : A 45 LYS NZ :NH3+ 126:sc= 1.17 (180deg=0.81) USER MOD Single : A 52 GLN : amide:sc= -0.75 K(o=-0.75,f=-4.7!) USER MOD Single : A 53 GLN : amide:sc= -3.61! C(o=-3.6!,f=-11!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -146:sc= -0.226 (180deg=-1.21) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 58:sc= 0.558 USER MOD Single : A 71 ASN : amide:sc= -0.0822 X(o=-0.082,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc=-0.000599 K(o=-0.0006,f=-0.79) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.00085) USER MOD Single : A 87 THR OG1 : rot 117:sc= 1.28 USER MOD Single : A 88 GLN : amide:sc= 0.555 K(o=0.56,f=-0.3) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0937 USER MOD Single : A 103 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.4) USER MOD Single : A 106 ASN : amide:sc= -0.89 K(o=-0.89,f=-5.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 257 N ASN A 36 -6.454 -15.411 16.255 1.00 0.00 N ATOM 258 CA ASN A 36 -5.663 -14.309 16.789 1.00 0.00 C ATOM 259 C ASN A 36 -4.735 -13.767 15.705 1.00 0.00 C ATOM 260 O ASN A 36 -4.603 -14.374 14.643 1.00 0.00 O ATOM 261 CB ASN A 36 -4.849 -14.777 18.002 1.00 0.00 C ATOM 262 CG ASN A 36 -4.328 -13.621 18.841 1.00 0.00 C ATOM 263 OD1 ASN A 36 -4.873 -12.516 18.810 1.00 0.00 O ATOM 264 ND2 ASN A 36 -3.268 -13.871 19.591 1.00 0.00 N ATOM 0 HA ASN A 36 -6.335 -13.513 17.111 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.470 -15.421 18.624 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.008 -15.380 17.659 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.870 -13.134 20.174 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.848 -14.800 19.587 1.00 0.00 H new ATOM 271 N TYR A 37 -4.111 -12.627 15.969 1.00 0.00 N ATOM 272 CA TYR A 37 -3.169 -12.031 15.029 1.00 0.00 C ATOM 273 C TYR A 37 -1.787 -11.931 15.667 1.00 0.00 C ATOM 274 O TYR A 37 -1.600 -12.334 16.819 1.00 0.00 O ATOM 275 CB TYR A 37 -3.640 -10.640 14.583 1.00 0.00 C ATOM 276 CG TYR A 37 -4.613 -9.968 15.537 1.00 0.00 C ATOM 277 CD1 TYR A 37 -4.178 -9.417 16.739 1.00 0.00 C ATOM 278 CD2 TYR A 37 -5.966 -9.885 15.231 1.00 0.00 C ATOM 279 CE1 TYR A 37 -5.066 -8.803 17.607 1.00 0.00 C ATOM 280 CE2 TYR A 37 -6.858 -9.272 16.094 1.00 0.00 C ATOM 281 CZ TYR A 37 -6.404 -8.734 17.280 1.00 0.00 C ATOM 282 OH TYR A 37 -7.292 -8.122 18.139 1.00 0.00 O ATOM 0 H TYR A 37 -4.240 -12.094 16.829 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.116 -12.672 14.149 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.768 -9.997 14.461 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.112 -10.727 13.604 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.131 -9.469 16.999 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.328 -10.306 14.304 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.712 -8.380 18.536 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.906 -9.215 15.839 1.00 0.00 H new ATOM 0 HH TYR A 37 -8.194 -8.159 17.758 1.00 0.00 H new ATOM 292 N LEU A 38 -0.827 -11.401 14.926 1.00 0.00 N ATOM 293 CA LEU A 38 0.523 -11.239 15.440 1.00 0.00 C ATOM 294 C LEU A 38 0.613 -10.018 16.347 1.00 0.00 C ATOM 295 O LEU A 38 0.133 -8.935 16.003 1.00 0.00 O ATOM 296 CB LEU A 38 1.526 -11.117 14.293 1.00 0.00 C ATOM 297 CG LEU A 38 2.982 -11.372 14.685 1.00 0.00 C ATOM 298 CD1 LEU A 38 3.228 -12.861 14.883 1.00 0.00 C ATOM 299 CD2 LEU A 38 3.919 -10.815 13.626 1.00 0.00 C ATOM 0 H LEU A 38 -0.958 -11.076 13.968 1.00 0.00 H new ATOM 0 HA LEU A 38 0.769 -12.125 16.026 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.247 -11.821 13.509 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.449 -10.117 13.866 1.00 0.00 H new ATOM 0 HG LEU A 38 3.181 -10.862 15.628 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.269 -13.024 15.162 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.578 -13.235 15.674 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.013 -13.392 13.955 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.952 -11.004 13.918 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.718 -11.300 12.671 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.760 -9.741 13.528 1.00 0.00 H new ATOM 311 N THR A 39 1.210 -10.202 17.511 1.00 0.00 N ATOM 312 CA THR A 39 1.361 -9.129 18.478 1.00 0.00 C ATOM 313 C THR A 39 2.608 -8.292 18.189 1.00 0.00 C ATOM 314 O THR A 39 3.624 -8.816 17.733 1.00 0.00 O ATOM 315 CB THR A 39 1.447 -9.699 19.904 1.00 0.00 C ATOM 316 OG1 THR A 39 1.024 -11.071 19.907 1.00 0.00 O ATOM 317 CG2 THR A 39 0.583 -8.896 20.860 1.00 0.00 C ATOM 0 H THR A 39 1.602 -11.094 17.812 1.00 0.00 H new ATOM 0 HA THR A 39 0.484 -8.487 18.395 1.00 0.00 H new ATOM 0 HB THR A 39 2.483 -9.636 20.237 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.647 -11.604 20.444 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.660 -9.318 21.862 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.923 -7.860 20.875 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.455 -8.932 20.530 1.00 0.00 H new ATOM 325 N ALA A 40 2.529 -6.995 18.461 1.00 0.00 N ATOM 326 CA ALA A 40 3.656 -6.092 18.233 1.00 0.00 C ATOM 327 C ALA A 40 4.812 -6.412 19.177 1.00 0.00 C ATOM 328 O ALA A 40 5.970 -6.464 18.761 1.00 0.00 O ATOM 329 CB ALA A 40 3.217 -4.645 18.402 1.00 0.00 C ATOM 0 H ALA A 40 1.697 -6.543 18.840 1.00 0.00 H new ATOM 0 HA ALA A 40 4.005 -6.235 17.210 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.067 -3.984 18.229 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.429 -4.418 17.684 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.841 -4.495 19.414 1.00 0.00 H new ATOM 335 N ASN A 41 4.488 -6.644 20.447 1.00 0.00 N ATOM 336 CA ASN A 41 5.499 -6.978 21.450 1.00 0.00 C ATOM 337 C ASN A 41 6.114 -8.337 21.154 1.00 0.00 C ATOM 338 O ASN A 41 7.231 -8.636 21.579 1.00 0.00 O ATOM 339 CB ASN A 41 4.895 -6.970 22.855 1.00 0.00 C ATOM 340 CG ASN A 41 5.242 -5.709 23.620 1.00 0.00 C ATOM 341 OD1 ASN A 41 5.041 -4.597 23.127 1.00 0.00 O ATOM 342 ND2 ASN A 41 5.776 -5.866 24.819 1.00 0.00 N ATOM 0 H ASN A 41 3.534 -6.607 20.807 1.00 0.00 H new ATOM 0 HA ASN A 41 6.281 -6.220 21.406 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.811 -7.063 22.783 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.253 -7.838 23.408 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.038 -5.050 25.372 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.926 -6.804 25.192 1.00 0.00 H new ATOM 349 N ASP A 42 5.382 -9.150 20.404 1.00 0.00 N ATOM 350 CA ASP A 42 5.866 -10.460 19.993 1.00 0.00 C ATOM 351 C ASP A 42 7.056 -10.301 19.050 1.00 0.00 C ATOM 352 O ASP A 42 8.060 -11.001 19.166 1.00 0.00 O ATOM 353 CB ASP A 42 4.749 -11.241 19.298 1.00 0.00 C ATOM 354 CG ASP A 42 4.318 -12.472 20.069 1.00 0.00 C ATOM 355 OD1 ASP A 42 5.142 -13.391 20.247 1.00 0.00 O ATOM 356 OD2 ASP A 42 3.147 -12.523 20.503 1.00 0.00 O ATOM 0 H ASP A 42 4.446 -8.923 20.067 1.00 0.00 H new ATOM 0 HA ASP A 42 6.183 -11.013 20.877 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.888 -10.587 19.159 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.086 -11.540 18.306 1.00 0.00 H new ATOM 361 N VAL A 43 6.937 -9.347 18.133 1.00 0.00 N ATOM 362 CA VAL A 43 8.000 -9.051 17.179 1.00 0.00 C ATOM 363 C VAL A 43 9.140 -8.293 17.857 1.00 0.00 C ATOM 364 O VAL A 43 10.253 -8.235 17.346 1.00 0.00 O ATOM 365 CB VAL A 43 7.470 -8.224 15.985 1.00 0.00 C ATOM 366 CG1 VAL A 43 8.475 -8.204 14.841 1.00 0.00 C ATOM 367 CG2 VAL A 43 6.137 -8.774 15.507 1.00 0.00 C ATOM 0 H VAL A 43 6.108 -8.761 18.030 1.00 0.00 H new ATOM 0 HA VAL A 43 8.374 -10.004 16.804 1.00 0.00 H new ATOM 0 HB VAL A 43 7.325 -7.199 16.326 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.075 -7.615 14.016 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.409 -7.759 15.185 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.661 -9.223 14.503 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.779 -8.180 14.666 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.263 -9.810 15.192 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.412 -8.727 16.319 1.00 0.00 H new ATOM 377 N SER A 44 8.862 -7.730 19.027 1.00 0.00 N ATOM 378 CA SER A 44 9.872 -6.989 19.771 1.00 0.00 C ATOM 379 C SER A 44 10.888 -7.941 20.407 1.00 0.00 C ATOM 380 O SER A 44 11.891 -7.504 20.972 1.00 0.00 O ATOM 381 CB SER A 44 9.208 -6.123 20.841 1.00 0.00 C ATOM 382 OG SER A 44 8.172 -5.329 20.282 1.00 0.00 O ATOM 0 H SER A 44 7.949 -7.772 19.479 1.00 0.00 H new ATOM 0 HA SER A 44 10.405 -6.341 19.076 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.800 -6.759 21.627 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.954 -5.479 21.307 1.00 0.00 H new ATOM 0 HG SER A 44 7.519 -5.909 19.838 1.00 0.00 H new ATOM 388 N LYS A 45 10.617 -9.240 20.320 1.00 0.00 N ATOM 389 CA LYS A 45 11.542 -10.245 20.827 1.00 0.00 C ATOM 390 C LYS A 45 12.719 -10.406 19.871 1.00 0.00 C ATOM 391 O LYS A 45 13.862 -10.573 20.294 1.00 0.00 O ATOM 392 CB LYS A 45 10.831 -11.587 21.023 1.00 0.00 C ATOM 393 CG LYS A 45 9.747 -11.551 22.090 1.00 0.00 C ATOM 394 CD LYS A 45 9.260 -12.948 22.437 1.00 0.00 C ATOM 395 CE LYS A 45 8.288 -13.475 21.394 1.00 0.00 C ATOM 396 NZ LYS A 45 6.999 -13.896 21.998 1.00 0.00 N ATOM 0 H LYS A 45 9.766 -9.619 19.904 1.00 0.00 H new ATOM 0 HA LYS A 45 11.916 -9.911 21.795 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.387 -11.895 20.076 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.568 -12.344 21.291 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.134 -11.066 22.987 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.909 -10.949 21.738 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.113 -13.623 22.515 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.775 -12.933 23.413 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.103 -12.703 20.647 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.738 -14.320 20.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.215 -13.412 21.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.887 -14.925 21.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.991 -13.647 23.008 1.00 0.00 H new ATOM 410 N ILE A 46 12.434 -10.333 18.577 1.00 0.00 N ATOM 411 CA ILE A 46 13.472 -10.418 17.562 1.00 0.00 C ATOM 412 C ILE A 46 13.984 -9.025 17.228 1.00 0.00 C ATOM 413 O ILE A 46 13.510 -8.038 17.791 1.00 0.00 O ATOM 414 CB ILE A 46 12.973 -11.118 16.278 1.00 0.00 C ATOM 415 CG1 ILE A 46 11.698 -10.459 15.753 1.00 0.00 C ATOM 416 CG2 ILE A 46 12.734 -12.596 16.546 1.00 0.00 C ATOM 417 CD1 ILE A 46 11.865 -9.825 14.390 1.00 0.00 C ATOM 0 H ILE A 46 11.491 -10.215 18.207 1.00 0.00 H new ATOM 0 HA ILE A 46 14.283 -11.021 17.970 1.00 0.00 H new ATOM 0 HB ILE A 46 13.743 -11.017 15.513 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.906 -11.206 15.703 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.373 -9.697 16.462 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.383 -13.079 15.634 1.00 0.00 H new ATOM 0 HG22 ILE A 46 13.665 -13.063 16.868 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.983 -12.707 17.328 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.921 -9.376 14.079 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.634 -9.054 14.439 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.160 -10.587 13.668 1.00 0.00 H new ATOM 429 N ARG A 47 14.952 -8.936 16.326 1.00 0.00 N ATOM 430 CA ARG A 47 15.560 -7.653 16.011 1.00 0.00 C ATOM 431 C ARG A 47 16.218 -7.662 14.639 1.00 0.00 C ATOM 432 O ARG A 47 16.402 -8.718 14.034 1.00 0.00 O ATOM 433 CB ARG A 47 16.596 -7.285 17.075 1.00 0.00 C ATOM 434 CG ARG A 47 17.589 -8.393 17.387 1.00 0.00 C ATOM 435 CD ARG A 47 17.955 -8.414 18.862 1.00 0.00 C ATOM 436 NE ARG A 47 16.859 -8.911 19.693 1.00 0.00 N ATOM 437 CZ ARG A 47 16.831 -8.826 21.021 1.00 0.00 C ATOM 438 NH1 ARG A 47 17.856 -8.301 21.681 1.00 0.00 N ATOM 439 NH2 ARG A 47 15.786 -9.293 21.692 1.00 0.00 N ATOM 0 H ARG A 47 15.329 -9.728 15.805 1.00 0.00 H new ATOM 0 HA ARG A 47 14.764 -6.908 15.999 1.00 0.00 H new ATOM 0 HB2 ARG A 47 17.145 -6.404 16.743 1.00 0.00 H new ATOM 0 HB3 ARG A 47 16.076 -7.009 17.992 1.00 0.00 H new ATOM 0 HG2 ARG A 47 17.163 -9.355 17.103 1.00 0.00 H new ATOM 0 HG3 ARG A 47 18.490 -8.254 16.789 1.00 0.00 H new ATOM 0 HD2 ARG A 47 18.834 -9.042 19.008 1.00 0.00 H new ATOM 0 HD3 ARG A 47 18.225 -7.408 19.183 1.00 0.00 H new ATOM 0 HE ARG A 47 16.066 -9.350 19.225 1.00 0.00 H new ATOM 0 HH11 ARG A 47 18.671 -7.960 21.170 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.829 -8.238 22.699 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.005 -9.716 21.190 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.763 -9.229 22.710 1.00 0.00 H new ATOM 453 N VAL A 48 16.573 -6.479 14.159 1.00 0.00 N ATOM 454 CA VAL A 48 17.290 -6.346 12.901 1.00 0.00 C ATOM 455 C VAL A 48 18.683 -6.953 13.034 1.00 0.00 C ATOM 456 O VAL A 48 19.420 -6.641 13.970 1.00 0.00 O ATOM 457 CB VAL A 48 17.413 -4.866 12.480 1.00 0.00 C ATOM 458 CG1 VAL A 48 18.161 -4.727 11.164 1.00 0.00 C ATOM 459 CG2 VAL A 48 16.040 -4.218 12.387 1.00 0.00 C ATOM 0 H VAL A 48 16.375 -5.594 14.625 1.00 0.00 H new ATOM 0 HA VAL A 48 16.726 -6.876 12.134 1.00 0.00 H new ATOM 0 HB VAL A 48 17.988 -4.348 13.248 1.00 0.00 H new ATOM 0 HG11 VAL A 48 18.231 -3.673 10.895 1.00 0.00 H new ATOM 0 HG12 VAL A 48 19.163 -5.142 11.270 1.00 0.00 H new ATOM 0 HG13 VAL A 48 17.626 -5.266 10.383 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.149 -3.175 12.089 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.438 -4.746 11.647 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.548 -4.268 13.358 1.00 0.00 H new ATOM 469 N GLY A 49 19.029 -7.822 12.100 1.00 0.00 N ATOM 470 CA GLY A 49 20.291 -8.530 12.153 1.00 0.00 C ATOM 471 C GLY A 49 20.149 -9.893 12.787 1.00 0.00 C ATOM 472 O GLY A 49 21.102 -10.666 12.839 1.00 0.00 O ATOM 0 H GLY A 49 18.449 -8.053 11.293 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.688 -8.639 11.144 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.014 -7.941 12.718 1.00 0.00 H new ATOM 476 N MET A 50 18.951 -10.187 13.274 1.00 0.00 N ATOM 477 CA MET A 50 18.648 -11.504 13.797 1.00 0.00 C ATOM 478 C MET A 50 18.323 -12.442 12.638 1.00 0.00 C ATOM 479 O MET A 50 18.018 -11.982 11.534 1.00 0.00 O ATOM 480 CB MET A 50 17.494 -11.417 14.798 1.00 0.00 C ATOM 481 CG MET A 50 17.909 -11.749 16.219 1.00 0.00 C ATOM 482 SD MET A 50 16.502 -11.986 17.317 1.00 0.00 S ATOM 483 CE MET A 50 17.331 -12.263 18.878 1.00 0.00 C ATOM 0 H MET A 50 18.175 -9.527 13.316 1.00 0.00 H new ATOM 0 HA MET A 50 19.512 -11.904 14.328 1.00 0.00 H new ATOM 0 HB2 MET A 50 17.076 -10.411 14.774 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.702 -12.099 14.489 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.517 -12.654 16.214 1.00 0.00 H new ATOM 0 HG3 MET A 50 18.536 -10.946 16.607 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.589 -12.426 19.660 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.973 -13.140 18.798 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.936 -11.392 19.128 1.00 0.00 H new ATOM 493 N THR A 51 18.384 -13.742 12.877 1.00 0.00 N ATOM 494 CA THR A 51 18.310 -14.714 11.810 1.00 0.00 C ATOM 495 C THR A 51 16.871 -14.936 11.354 1.00 0.00 C ATOM 496 O THR A 51 15.940 -14.929 12.161 1.00 0.00 O ATOM 497 CB THR A 51 18.913 -16.045 12.285 1.00 0.00 C ATOM 498 OG1 THR A 51 18.721 -16.174 13.702 1.00 0.00 O ATOM 499 CG2 THR A 51 20.399 -16.114 11.967 1.00 0.00 C ATOM 0 H THR A 51 18.485 -14.146 13.808 1.00 0.00 H new ATOM 0 HA THR A 51 18.876 -14.330 10.962 1.00 0.00 H new ATOM 0 HB THR A 51 18.411 -16.859 11.763 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.103 -17.023 14.008 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.801 -17.066 12.314 1.00 0.00 H new ATOM 0 HG22 THR A 51 20.545 -16.029 10.890 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.917 -15.297 12.469 1.00 0.00 H new ATOM 507 N GLN A 52 16.717 -15.162 10.056 1.00 0.00 N ATOM 508 CA GLN A 52 15.410 -15.331 9.431 1.00 0.00 C ATOM 509 C GLN A 52 14.664 -16.533 9.999 1.00 0.00 C ATOM 510 O GLN A 52 13.449 -16.494 10.188 1.00 0.00 O ATOM 511 CB GLN A 52 15.583 -15.502 7.919 1.00 0.00 C ATOM 512 CG GLN A 52 16.435 -16.702 7.525 1.00 0.00 C ATOM 513 CD GLN A 52 16.476 -16.928 6.030 1.00 0.00 C ATOM 514 OE1 GLN A 52 17.273 -16.323 5.319 1.00 0.00 O ATOM 515 NE2 GLN A 52 15.622 -17.811 5.542 1.00 0.00 N ATOM 0 H GLN A 52 17.498 -15.234 9.404 1.00 0.00 H new ATOM 0 HA GLN A 52 14.819 -14.440 9.643 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.599 -15.601 7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 52 16.036 -14.598 7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 52 17.450 -16.557 7.894 1.00 0.00 H new ATOM 0 HG3 GLN A 52 16.043 -17.595 8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 52 14.975 -18.293 6.166 1.00 0.00 H new ATOM 0 HE22 GLN A 52 15.610 -18.010 4.542 1.00 0.00 H new ATOM 524 N GLN A 53 15.406 -17.585 10.307 1.00 0.00 N ATOM 525 CA GLN A 53 14.803 -18.850 10.703 1.00 0.00 C ATOM 526 C GLN A 53 14.374 -18.792 12.156 1.00 0.00 C ATOM 527 O GLN A 53 13.399 -19.420 12.556 1.00 0.00 O ATOM 528 CB GLN A 53 15.764 -20.017 10.473 1.00 0.00 C ATOM 529 CG GLN A 53 17.148 -19.803 11.053 1.00 0.00 C ATOM 530 CD GLN A 53 18.060 -19.034 10.119 1.00 0.00 C ATOM 531 OE1 GLN A 53 18.129 -17.814 10.178 1.00 0.00 O ATOM 532 NE2 GLN A 53 18.745 -19.731 9.240 1.00 0.00 N ATOM 0 H GLN A 53 16.426 -17.589 10.291 1.00 0.00 H new ATOM 0 HA GLN A 53 13.923 -19.017 10.082 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.334 -20.919 10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.854 -20.193 9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.063 -19.264 11.997 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.597 -20.770 11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 53 18.663 -20.747 9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 53 19.359 -19.255 8.578 1.00 0.00 H new ATOM 541 N GLN A 54 15.102 -18.013 12.934 1.00 0.00 N ATOM 542 CA GLN A 54 14.777 -17.806 14.332 1.00 0.00 C ATOM 543 C GLN A 54 13.580 -16.868 14.444 1.00 0.00 C ATOM 544 O GLN A 54 12.710 -17.048 15.297 1.00 0.00 O ATOM 545 CB GLN A 54 15.992 -17.230 15.047 1.00 0.00 C ATOM 546 CG GLN A 54 15.761 -16.867 16.499 1.00 0.00 C ATOM 547 CD GLN A 54 16.731 -15.805 16.969 1.00 0.00 C ATOM 548 OE1 GLN A 54 16.726 -15.412 18.135 1.00 0.00 O ATOM 549 NE2 GLN A 54 17.579 -15.338 16.062 1.00 0.00 N ATOM 0 H GLN A 54 15.930 -17.509 12.617 1.00 0.00 H new ATOM 0 HA GLN A 54 14.513 -18.754 14.801 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.805 -17.954 14.993 1.00 0.00 H new ATOM 0 HB3 GLN A 54 16.322 -16.339 14.512 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.739 -16.510 16.627 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.867 -17.757 17.119 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.549 -15.692 15.106 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.261 -14.625 16.321 1.00 0.00 H new ATOM 558 N VAL A 55 13.538 -15.876 13.565 1.00 0.00 N ATOM 559 CA VAL A 55 12.393 -14.983 13.477 1.00 0.00 C ATOM 560 C VAL A 55 11.140 -15.782 13.136 1.00 0.00 C ATOM 561 O VAL A 55 10.096 -15.630 13.771 1.00 0.00 O ATOM 562 CB VAL A 55 12.619 -13.881 12.416 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.318 -13.166 12.074 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.662 -12.886 12.903 1.00 0.00 C ATOM 0 H VAL A 55 14.285 -15.670 12.902 1.00 0.00 H new ATOM 0 HA VAL A 55 12.266 -14.498 14.445 1.00 0.00 H new ATOM 0 HB VAL A 55 12.985 -14.358 11.507 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.511 -12.397 11.326 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.601 -13.885 11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.910 -12.703 12.973 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.811 -12.116 12.146 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.319 -12.424 13.829 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.604 -13.405 13.083 1.00 0.00 H new ATOM 574 N ALA A 56 11.268 -16.664 12.152 1.00 0.00 N ATOM 575 CA ALA A 56 10.151 -17.503 11.731 1.00 0.00 C ATOM 576 C ALA A 56 9.795 -18.520 12.815 1.00 0.00 C ATOM 577 O ALA A 56 8.633 -18.904 12.967 1.00 0.00 O ATOM 578 CB ALA A 56 10.475 -18.211 10.425 1.00 0.00 C ATOM 0 H ALA A 56 12.132 -16.817 11.631 1.00 0.00 H new ATOM 0 HA ALA A 56 9.287 -16.859 11.570 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.630 -18.832 10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.672 -17.471 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.356 -18.839 10.560 1.00 0.00 H new ATOM 584 N TYR A 57 10.805 -18.951 13.560 1.00 0.00 N ATOM 585 CA TYR A 57 10.614 -19.888 14.661 1.00 0.00 C ATOM 586 C TYR A 57 9.825 -19.247 15.799 1.00 0.00 C ATOM 587 O TYR A 57 9.002 -19.899 16.445 1.00 0.00 O ATOM 588 CB TYR A 57 11.969 -20.365 15.185 1.00 0.00 C ATOM 589 CG TYR A 57 12.173 -21.859 15.086 1.00 0.00 C ATOM 590 CD1 TYR A 57 12.735 -22.429 13.950 1.00 0.00 C ATOM 591 CD2 TYR A 57 11.818 -22.700 16.133 1.00 0.00 C ATOM 592 CE1 TYR A 57 12.935 -23.793 13.859 1.00 0.00 C ATOM 593 CE2 TYR A 57 12.012 -24.065 16.049 1.00 0.00 C ATOM 594 CZ TYR A 57 12.573 -24.607 14.913 1.00 0.00 C ATOM 595 OH TYR A 57 12.776 -25.968 14.831 1.00 0.00 O ATOM 0 H TYR A 57 11.774 -18.664 13.420 1.00 0.00 H new ATOM 0 HA TYR A 57 10.047 -20.739 14.283 1.00 0.00 H new ATOM 0 HB2 TYR A 57 12.760 -19.863 14.628 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.071 -20.063 16.227 1.00 0.00 H new ATOM 0 HD1 TYR A 57 13.020 -21.795 13.124 1.00 0.00 H new ATOM 0 HD2 TYR A 57 11.383 -22.280 17.028 1.00 0.00 H new ATOM 0 HE1 TYR A 57 13.372 -24.220 12.968 1.00 0.00 H new ATOM 0 HE2 TYR A 57 11.725 -24.705 16.870 1.00 0.00 H new ATOM 0 HH TYR A 57 12.468 -26.395 15.657 1.00 0.00 H new ATOM 605 N ALA A 58 10.085 -17.972 16.047 1.00 0.00 N ATOM 606 CA ALA A 58 9.447 -17.259 17.146 1.00 0.00 C ATOM 607 C ALA A 58 8.081 -16.707 16.752 1.00 0.00 C ATOM 608 O ALA A 58 7.111 -16.838 17.501 1.00 0.00 O ATOM 609 CB ALA A 58 10.349 -16.135 17.632 1.00 0.00 C ATOM 0 H ALA A 58 10.735 -17.407 15.501 1.00 0.00 H new ATOM 0 HA ALA A 58 9.289 -17.973 17.955 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.863 -15.608 18.453 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.295 -16.551 17.977 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.536 -15.439 16.814 1.00 0.00 H new ATOM 615 N LEU A 59 8.003 -16.102 15.573 1.00 0.00 N ATOM 616 CA LEU A 59 6.787 -15.417 15.143 1.00 0.00 C ATOM 617 C LEU A 59 5.830 -16.358 14.412 1.00 0.00 C ATOM 618 O LEU A 59 4.707 -15.974 14.083 1.00 0.00 O ATOM 619 CB LEU A 59 7.142 -14.231 14.243 1.00 0.00 C ATOM 620 CG LEU A 59 7.858 -13.074 14.949 1.00 0.00 C ATOM 621 CD1 LEU A 59 8.229 -11.990 13.953 1.00 0.00 C ATOM 622 CD2 LEU A 59 6.985 -12.505 16.059 1.00 0.00 C ATOM 0 H LEU A 59 8.766 -16.071 14.897 1.00 0.00 H new ATOM 0 HA LEU A 59 6.279 -15.058 16.038 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.774 -14.588 13.430 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.226 -13.850 13.791 1.00 0.00 H new ATOM 0 HG LEU A 59 8.775 -13.458 15.396 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.736 -11.177 14.472 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.892 -12.405 13.194 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.326 -11.609 13.477 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.509 -11.685 16.550 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.051 -12.137 15.635 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.769 -13.286 16.789 1.00 0.00 H new ATOM 634 N GLY A 60 6.280 -17.580 14.154 1.00 0.00 N ATOM 635 CA GLY A 60 5.441 -18.555 13.480 1.00 0.00 C ATOM 636 C GLY A 60 5.128 -18.160 12.050 1.00 0.00 C ATOM 637 O GLY A 60 3.961 -18.048 11.669 1.00 0.00 O ATOM 0 H GLY A 60 7.212 -17.914 14.399 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.940 -19.524 13.485 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.509 -18.673 14.033 1.00 0.00 H new ATOM 641 N THR A 61 6.171 -17.928 11.266 1.00 0.00 N ATOM 642 CA THR A 61 6.010 -17.541 9.875 1.00 0.00 C ATOM 643 C THR A 61 5.696 -18.754 9.002 1.00 0.00 C ATOM 644 O THR A 61 6.363 -19.784 9.101 1.00 0.00 O ATOM 645 CB THR A 61 7.272 -16.829 9.354 1.00 0.00 C ATOM 646 OG1 THR A 61 7.814 -16.006 10.395 1.00 0.00 O ATOM 647 CG2 THR A 61 6.957 -15.967 8.140 1.00 0.00 C ATOM 0 H THR A 61 7.141 -18.002 11.573 1.00 0.00 H new ATOM 0 HA THR A 61 5.170 -16.848 9.820 1.00 0.00 H new ATOM 0 HB THR A 61 7.997 -17.587 9.056 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.095 -15.481 10.805 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.868 -15.477 7.795 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.558 -16.594 7.343 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.219 -15.212 8.412 1.00 0.00 H new ATOM 655 N PRO A 62 4.655 -18.648 8.158 1.00 0.00 N ATOM 656 CA PRO A 62 4.229 -19.735 7.269 1.00 0.00 C ATOM 657 C PRO A 62 5.354 -20.226 6.363 1.00 0.00 C ATOM 658 O PRO A 62 6.239 -19.460 5.974 1.00 0.00 O ATOM 659 CB PRO A 62 3.117 -19.100 6.431 1.00 0.00 C ATOM 660 CG PRO A 62 2.612 -17.971 7.259 1.00 0.00 C ATOM 661 CD PRO A 62 3.803 -17.455 8.013 1.00 0.00 C ATOM 0 HA PRO A 62 3.912 -20.612 7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.497 -18.748 5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.325 -19.818 6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.177 -17.191 6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.831 -18.305 7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.312 -16.661 7.466 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.519 -17.044 8.981 1.00 0.00 H new ATOM 669 N LEU A 63 5.311 -21.508 6.029 1.00 0.00 N ATOM 670 CA LEU A 63 6.324 -22.112 5.184 1.00 0.00 C ATOM 671 C LEU A 63 6.116 -21.702 3.730 1.00 0.00 C ATOM 672 O LEU A 63 5.110 -22.053 3.108 1.00 0.00 O ATOM 673 CB LEU A 63 6.286 -23.637 5.323 1.00 0.00 C ATOM 674 CG LEU A 63 6.961 -24.414 4.192 1.00 0.00 C ATOM 675 CD1 LEU A 63 8.470 -24.432 4.383 1.00 0.00 C ATOM 676 CD2 LEU A 63 6.408 -25.828 4.127 1.00 0.00 C ATOM 0 H LEU A 63 4.580 -22.151 6.334 1.00 0.00 H new ATOM 0 HA LEU A 63 7.304 -21.758 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.762 -23.911 6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.245 -23.953 5.388 1.00 0.00 H new ATOM 0 HG LEU A 63 6.746 -23.915 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.933 -24.989 3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.849 -23.410 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.711 -24.910 5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.895 -26.372 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.597 -26.336 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.334 -25.791 3.944 1.00 0.00 H new ATOM 688 N MET A 64 7.060 -20.941 3.200 1.00 0.00 N ATOM 689 CA MET A 64 7.002 -20.501 1.814 1.00 0.00 C ATOM 690 C MET A 64 8.313 -20.816 1.109 1.00 0.00 C ATOM 691 O MET A 64 9.390 -20.531 1.630 1.00 0.00 O ATOM 692 CB MET A 64 6.701 -18.998 1.715 1.00 0.00 C ATOM 693 CG MET A 64 6.801 -18.255 3.038 1.00 0.00 C ATOM 694 SD MET A 64 8.063 -16.966 3.021 1.00 0.00 S ATOM 695 CE MET A 64 9.499 -17.896 3.556 1.00 0.00 C ATOM 0 H MET A 64 7.880 -20.613 3.711 1.00 0.00 H new ATOM 0 HA MET A 64 6.191 -21.041 1.326 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.393 -18.546 1.004 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.697 -18.865 1.311 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.835 -17.808 3.273 1.00 0.00 H new ATOM 0 HG3 MET A 64 7.025 -18.966 3.833 1.00 0.00 H new ATOM 0 HE1 MET A 64 10.145 -17.255 4.155 1.00 0.00 H new ATOM 0 HE2 MET A 64 9.178 -18.749 4.155 1.00 0.00 H new ATOM 0 HE3 MET A 64 10.048 -18.251 2.684 1.00 0.00 H new ATOM 705 N SER A 65 8.216 -21.422 -0.062 1.00 0.00 N ATOM 706 CA SER A 65 9.395 -21.777 -0.835 1.00 0.00 C ATOM 707 C SER A 65 9.371 -21.073 -2.188 1.00 0.00 C ATOM 708 O SER A 65 8.645 -21.479 -3.099 1.00 0.00 O ATOM 709 CB SER A 65 9.456 -23.295 -1.016 1.00 0.00 C ATOM 710 OG SER A 65 8.435 -23.937 -0.262 1.00 0.00 O ATOM 0 H SER A 65 7.331 -21.679 -0.499 1.00 0.00 H new ATOM 0 HA SER A 65 10.287 -21.452 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.346 -23.544 -2.071 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.432 -23.664 -0.702 1.00 0.00 H new ATOM 0 HG SER A 65 8.492 -24.906 -0.394 1.00 0.00 H new ATOM 716 N ASP A 66 10.156 -20.014 -2.319 1.00 0.00 N ATOM 717 CA ASP A 66 10.149 -19.214 -3.527 1.00 0.00 C ATOM 718 C ASP A 66 11.508 -19.265 -4.210 1.00 0.00 C ATOM 719 O ASP A 66 12.508 -18.802 -3.663 1.00 0.00 O ATOM 720 CB ASP A 66 9.782 -17.768 -3.203 1.00 0.00 C ATOM 721 CG ASP A 66 9.933 -16.860 -4.402 1.00 0.00 C ATOM 722 OD1 ASP A 66 9.073 -16.912 -5.304 1.00 0.00 O ATOM 723 OD2 ASP A 66 10.916 -16.088 -4.450 1.00 0.00 O ATOM 0 H ASP A 66 10.805 -19.691 -1.601 1.00 0.00 H new ATOM 0 HA ASP A 66 9.402 -19.625 -4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.753 -17.727 -2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.416 -17.407 -2.393 1.00 0.00 H new ATOM 728 N PRO A 67 11.558 -19.837 -5.418 1.00 0.00 N ATOM 729 CA PRO A 67 12.786 -19.940 -6.200 1.00 0.00 C ATOM 730 C PRO A 67 13.101 -18.649 -6.951 1.00 0.00 C ATOM 731 O PRO A 67 14.114 -18.550 -7.646 1.00 0.00 O ATOM 732 CB PRO A 67 12.474 -21.066 -7.183 1.00 0.00 C ATOM 733 CG PRO A 67 11.001 -20.985 -7.393 1.00 0.00 C ATOM 734 CD PRO A 67 10.410 -20.445 -6.116 1.00 0.00 C ATOM 0 HA PRO A 67 13.660 -20.126 -5.575 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.016 -20.936 -8.120 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.764 -22.036 -6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.765 -20.333 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.589 -21.967 -7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.631 -19.710 -6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.955 -21.237 -5.521 1.00 0.00 H new ATOM 742 N PHE A 68 12.219 -17.666 -6.823 1.00 0.00 N ATOM 743 CA PHE A 68 12.375 -16.410 -7.548 1.00 0.00 C ATOM 744 C PHE A 68 13.352 -15.493 -6.828 1.00 0.00 C ATOM 745 O PHE A 68 13.999 -14.652 -7.448 1.00 0.00 O ATOM 746 CB PHE A 68 11.022 -15.717 -7.724 1.00 0.00 C ATOM 747 CG PHE A 68 10.176 -16.332 -8.801 1.00 0.00 C ATOM 748 CD1 PHE A 68 10.525 -16.192 -10.134 1.00 0.00 C ATOM 749 CD2 PHE A 68 9.038 -17.054 -8.482 1.00 0.00 C ATOM 750 CE1 PHE A 68 9.756 -16.764 -11.127 1.00 0.00 C ATOM 751 CE2 PHE A 68 8.264 -17.626 -9.472 1.00 0.00 C ATOM 752 CZ PHE A 68 8.623 -17.481 -10.796 1.00 0.00 C ATOM 0 H PHE A 68 11.392 -17.713 -6.227 1.00 0.00 H new ATOM 0 HA PHE A 68 12.778 -16.635 -8.536 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.478 -15.752 -6.780 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.188 -14.665 -7.958 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.408 -15.629 -10.399 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.753 -17.171 -7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.040 -16.651 -12.163 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.379 -18.186 -9.210 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.019 -17.927 -11.572 1.00 0.00 H new ATOM 762 N GLY A 69 13.462 -15.662 -5.517 1.00 0.00 N ATOM 763 CA GLY A 69 14.443 -14.920 -4.759 1.00 0.00 C ATOM 764 C GLY A 69 13.807 -13.840 -3.926 1.00 0.00 C ATOM 765 O GLY A 69 14.412 -12.796 -3.678 1.00 0.00 O ATOM 0 H GLY A 69 12.888 -16.301 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.993 -15.602 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.167 -14.474 -5.441 1.00 0.00 H new ATOM 769 N THR A 70 12.577 -14.078 -3.503 1.00 0.00 N ATOM 770 CA THR A 70 11.874 -13.126 -2.670 1.00 0.00 C ATOM 771 C THR A 70 12.318 -13.254 -1.218 1.00 0.00 C ATOM 772 O THR A 70 12.006 -14.234 -0.545 1.00 0.00 O ATOM 773 CB THR A 70 10.352 -13.321 -2.765 1.00 0.00 C ATOM 774 OG1 THR A 70 9.995 -13.685 -4.104 1.00 0.00 O ATOM 775 CG2 THR A 70 9.616 -12.053 -2.365 1.00 0.00 C ATOM 0 H THR A 70 12.048 -14.922 -3.724 1.00 0.00 H new ATOM 0 HA THR A 70 12.119 -12.128 -3.033 1.00 0.00 H new ATOM 0 HB THR A 70 10.063 -14.117 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.477 -14.498 -4.361 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.541 -12.217 -2.441 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.872 -11.792 -1.338 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.906 -11.239 -3.029 1.00 0.00 H new ATOM 783 N ASN A 71 13.055 -12.266 -0.739 1.00 0.00 N ATOM 784 CA ASN A 71 13.572 -12.298 0.618 1.00 0.00 C ATOM 785 C ASN A 71 12.906 -11.218 1.461 1.00 0.00 C ATOM 786 O ASN A 71 13.545 -10.561 2.286 1.00 0.00 O ATOM 787 CB ASN A 71 15.094 -12.120 0.616 1.00 0.00 C ATOM 788 CG ASN A 71 15.800 -13.062 -0.348 1.00 0.00 C ATOM 789 OD1 ASN A 71 16.671 -12.642 -1.110 1.00 0.00 O ATOM 790 ND2 ASN A 71 15.431 -14.334 -0.330 1.00 0.00 N ATOM 0 H ASN A 71 13.308 -11.432 -1.270 1.00 0.00 H new ATOM 0 HA ASN A 71 13.343 -13.269 1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.334 -11.090 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.475 -12.287 1.623 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.873 -15.002 -0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.705 -14.645 0.316 1.00 0.00 H new ATOM 797 N THR A 72 11.614 -11.037 1.238 1.00 0.00 N ATOM 798 CA THR A 72 10.837 -10.060 1.972 1.00 0.00 C ATOM 799 C THR A 72 9.636 -10.721 2.633 1.00 0.00 C ATOM 800 O THR A 72 9.009 -11.609 2.052 1.00 0.00 O ATOM 801 CB THR A 72 10.344 -8.934 1.050 1.00 0.00 C ATOM 802 OG1 THR A 72 10.643 -9.249 -0.320 1.00 0.00 O ATOM 803 CG2 THR A 72 10.985 -7.609 1.427 1.00 0.00 C ATOM 0 H THR A 72 11.080 -11.562 0.546 1.00 0.00 H new ATOM 0 HA THR A 72 11.488 -9.633 2.735 1.00 0.00 H new ATOM 0 HB THR A 72 9.264 -8.843 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.323 -8.526 -0.899 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.621 -6.826 0.761 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.726 -7.359 2.456 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.068 -7.690 1.335 1.00 0.00 H new ATOM 811 N TRP A 73 9.325 -10.286 3.841 1.00 0.00 N ATOM 812 CA TRP A 73 8.207 -10.829 4.591 1.00 0.00 C ATOM 813 C TRP A 73 7.160 -9.753 4.824 1.00 0.00 C ATOM 814 O TRP A 73 7.493 -8.587 5.041 1.00 0.00 O ATOM 815 CB TRP A 73 8.688 -11.387 5.931 1.00 0.00 C ATOM 816 CG TRP A 73 9.014 -12.844 5.884 1.00 0.00 C ATOM 817 CD1 TRP A 73 8.446 -13.785 5.078 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.985 -13.529 6.678 1.00 0.00 C ATOM 819 NE1 TRP A 73 9.005 -15.014 5.320 1.00 0.00 N ATOM 820 CE2 TRP A 73 9.954 -14.883 6.298 1.00 0.00 C ATOM 821 CE3 TRP A 73 10.881 -13.129 7.673 1.00 0.00 C ATOM 822 CZ2 TRP A 73 10.784 -15.837 6.878 1.00 0.00 C ATOM 823 CZ3 TRP A 73 11.701 -14.079 8.249 1.00 0.00 C ATOM 824 CH2 TRP A 73 11.650 -15.417 7.849 1.00 0.00 C ATOM 0 H TRP A 73 9.837 -9.550 4.328 1.00 0.00 H new ATOM 0 HA TRP A 73 7.761 -11.638 4.012 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.572 -10.835 6.250 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.918 -11.219 6.684 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.669 -13.591 4.354 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.755 -15.883 4.849 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.931 -12.096 7.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.746 -16.872 6.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 12.394 -13.783 9.022 1.00 0.00 H new ATOM 0 HH2 TRP A 73 12.308 -16.134 8.317 1.00 0.00 H new ATOM 835 N PHE A 74 5.898 -10.144 4.770 1.00 0.00 N ATOM 836 CA PHE A 74 4.805 -9.216 4.999 1.00 0.00 C ATOM 837 C PHE A 74 3.902 -9.734 6.107 1.00 0.00 C ATOM 838 O PHE A 74 3.227 -10.751 5.948 1.00 0.00 O ATOM 839 CB PHE A 74 4.003 -9.004 3.714 1.00 0.00 C ATOM 840 CG PHE A 74 4.492 -7.845 2.888 1.00 0.00 C ATOM 841 CD1 PHE A 74 4.051 -6.557 3.150 1.00 0.00 C ATOM 842 CD2 PHE A 74 5.391 -8.044 1.852 1.00 0.00 C ATOM 843 CE1 PHE A 74 4.497 -5.489 2.394 1.00 0.00 C ATOM 844 CE2 PHE A 74 5.842 -6.981 1.093 1.00 0.00 C ATOM 845 CZ PHE A 74 5.395 -5.701 1.364 1.00 0.00 C ATOM 0 H PHE A 74 5.605 -11.100 4.569 1.00 0.00 H new ATOM 0 HA PHE A 74 5.222 -8.257 5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.047 -9.913 3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.956 -8.842 3.971 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.351 -6.386 3.954 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.743 -9.042 1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.145 -4.491 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.543 -7.150 0.289 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.746 -4.869 0.773 1.00 0.00 H new ATOM 855 N TYR A 75 3.912 -9.047 7.235 1.00 0.00 N ATOM 856 CA TYR A 75 3.094 -9.440 8.371 1.00 0.00 C ATOM 857 C TYR A 75 1.931 -8.474 8.548 1.00 0.00 C ATOM 858 O TYR A 75 2.085 -7.263 8.375 1.00 0.00 O ATOM 859 CB TYR A 75 3.940 -9.482 9.645 1.00 0.00 C ATOM 860 CG TYR A 75 4.355 -10.877 10.059 1.00 0.00 C ATOM 861 CD1 TYR A 75 3.409 -11.873 10.259 1.00 0.00 C ATOM 862 CD2 TYR A 75 5.692 -11.196 10.257 1.00 0.00 C ATOM 863 CE1 TYR A 75 3.782 -13.147 10.643 1.00 0.00 C ATOM 864 CE2 TYR A 75 6.074 -12.468 10.640 1.00 0.00 C ATOM 865 CZ TYR A 75 5.116 -13.439 10.833 1.00 0.00 C ATOM 866 OH TYR A 75 5.494 -14.706 11.218 1.00 0.00 O ATOM 0 H TYR A 75 4.478 -8.213 7.390 1.00 0.00 H new ATOM 0 HA TYR A 75 2.695 -10.436 8.181 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.834 -8.877 9.496 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.377 -9.024 10.459 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.363 -11.648 10.112 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.446 -10.437 10.109 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.033 -13.910 10.793 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.119 -12.700 10.787 1.00 0.00 H new ATOM 0 HH TYR A 75 5.180 -14.878 12.130 1.00 0.00 H new ATOM 876 N VAL A 76 0.769 -9.010 8.892 1.00 0.00 N ATOM 877 CA VAL A 76 -0.414 -8.189 9.088 1.00 0.00 C ATOM 878 C VAL A 76 -0.515 -7.759 10.540 1.00 0.00 C ATOM 879 O VAL A 76 -0.674 -8.592 11.435 1.00 0.00 O ATOM 880 CB VAL A 76 -1.714 -8.919 8.683 1.00 0.00 C ATOM 881 CG1 VAL A 76 -2.336 -8.254 7.466 1.00 0.00 C ATOM 882 CG2 VAL A 76 -1.459 -10.395 8.414 1.00 0.00 C ATOM 0 H VAL A 76 0.621 -10.008 9.041 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.305 -7.318 8.442 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.413 -8.849 9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.251 -8.779 7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.570 -7.215 7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.634 -8.290 6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.393 -10.880 8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.737 -10.498 7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.063 -10.866 9.314 1.00 0.00 H new ATOM 892 N PHE A 77 -0.396 -6.466 10.773 1.00 0.00 N ATOM 893 CA PHE A 77 -0.448 -5.935 12.121 1.00 0.00 C ATOM 894 C PHE A 77 -1.800 -5.302 12.388 1.00 0.00 C ATOM 895 O PHE A 77 -2.388 -4.666 11.508 1.00 0.00 O ATOM 896 CB PHE A 77 0.660 -4.908 12.333 1.00 0.00 C ATOM 897 CG PHE A 77 1.819 -5.424 13.136 1.00 0.00 C ATOM 898 CD1 PHE A 77 2.236 -6.738 13.008 1.00 0.00 C ATOM 899 CD2 PHE A 77 2.492 -4.593 14.012 1.00 0.00 C ATOM 900 CE1 PHE A 77 3.302 -7.214 13.742 1.00 0.00 C ATOM 901 CE2 PHE A 77 3.560 -5.063 14.751 1.00 0.00 C ATOM 902 CZ PHE A 77 3.967 -6.374 14.614 1.00 0.00 C ATOM 0 H PHE A 77 -0.263 -5.764 10.046 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.301 -6.758 12.820 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.023 -4.574 11.361 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.242 -4.035 12.835 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.721 -7.398 12.326 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.179 -3.565 14.120 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.616 -8.242 13.635 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.076 -4.405 15.435 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.804 -6.743 15.188 1.00 0.00 H new ATOM 912 N ARG A 78 -2.287 -5.481 13.605 1.00 0.00 N ATOM 913 CA ARG A 78 -3.578 -4.947 13.992 1.00 0.00 C ATOM 914 C ARG A 78 -3.517 -3.429 14.123 1.00 0.00 C ATOM 915 O ARG A 78 -2.479 -2.856 14.464 1.00 0.00 O ATOM 916 CB ARG A 78 -4.050 -5.590 15.306 1.00 0.00 C ATOM 917 CG ARG A 78 -3.933 -4.680 16.521 1.00 0.00 C ATOM 918 CD ARG A 78 -4.836 -5.134 17.654 1.00 0.00 C ATOM 919 NE ARG A 78 -4.282 -4.792 18.960 1.00 0.00 N ATOM 920 CZ ARG A 78 -5.009 -4.381 19.999 1.00 0.00 C ATOM 921 NH1 ARG A 78 -6.329 -4.262 19.899 1.00 0.00 N ATOM 922 NH2 ARG A 78 -4.411 -4.088 21.148 1.00 0.00 N ATOM 0 H ARG A 78 -1.804 -5.994 14.343 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.300 -5.189 13.212 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.090 -5.897 15.195 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.468 -6.494 15.485 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.899 -4.664 16.865 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.191 -3.660 16.237 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.817 -4.673 17.544 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.982 -6.212 17.592 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.273 -4.873 19.086 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.796 -4.486 19.020 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.875 -3.947 20.701 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.399 -4.178 21.233 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.964 -3.773 21.945 1.00 0.00 H new ATOM 936 N GLN A 79 -4.632 -2.791 13.827 1.00 0.00 N ATOM 937 CA GLN A 79 -4.773 -1.365 14.012 1.00 0.00 C ATOM 938 C GLN A 79 -6.046 -1.098 14.786 1.00 0.00 C ATOM 939 O GLN A 79 -6.878 -1.991 14.954 1.00 0.00 O ATOM 940 CB GLN A 79 -4.809 -0.633 12.667 1.00 0.00 C ATOM 941 CG GLN A 79 -3.608 0.273 12.439 1.00 0.00 C ATOM 942 CD GLN A 79 -3.771 1.660 13.047 1.00 0.00 C ATOM 943 OE1 GLN A 79 -4.691 1.916 13.825 1.00 0.00 O ATOM 944 NE2 GLN A 79 -2.868 2.564 12.696 1.00 0.00 N ATOM 0 H GLN A 79 -5.463 -3.248 13.452 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.912 -0.992 14.567 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.858 -1.368 11.863 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.720 -0.037 12.610 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.721 -0.199 12.862 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.436 0.372 11.367 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.121 2.314 12.049 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.920 3.510 13.073 1.00 0.00 H new ATOM 953 N GLN A 80 -6.195 0.122 15.255 1.00 0.00 N ATOM 954 CA GLN A 80 -7.374 0.504 16.001 1.00 0.00 C ATOM 955 C GLN A 80 -8.450 0.984 15.037 1.00 0.00 C ATOM 956 O GLN A 80 -8.259 1.983 14.335 1.00 0.00 O ATOM 957 CB GLN A 80 -7.033 1.596 17.020 1.00 0.00 C ATOM 958 CG GLN A 80 -5.564 1.623 17.421 1.00 0.00 C ATOM 959 CD GLN A 80 -5.165 0.440 18.278 1.00 0.00 C ATOM 960 OE1 GLN A 80 -5.971 -0.097 19.035 1.00 0.00 O ATOM 961 NE2 GLN A 80 -3.912 0.031 18.167 1.00 0.00 N ATOM 0 H GLN A 80 -5.511 0.869 15.132 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.748 -0.361 16.549 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.305 2.566 16.604 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.641 1.450 17.913 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.948 1.638 16.522 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.358 2.545 17.965 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.276 0.505 17.526 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.582 -0.759 18.722 1.00 0.00 H new ATOM 970 N PRO A 81 -9.577 0.260 14.970 1.00 0.00 N ATOM 971 CA PRO A 81 -10.685 0.583 14.066 1.00 0.00 C ATOM 972 C PRO A 81 -11.420 1.846 14.494 1.00 0.00 C ATOM 973 O PRO A 81 -12.559 1.793 14.960 1.00 0.00 O ATOM 974 CB PRO A 81 -11.613 -0.639 14.165 1.00 0.00 C ATOM 975 CG PRO A 81 -10.826 -1.683 14.885 1.00 0.00 C ATOM 976 CD PRO A 81 -9.866 -0.939 15.763 1.00 0.00 C ATOM 0 HA PRO A 81 -10.337 0.779 13.052 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.527 -0.394 14.706 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.911 -0.986 13.176 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.478 -2.326 15.476 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.296 -2.326 14.183 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.307 -0.691 16.728 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.966 -1.520 15.964 1.00 0.00 H new ATOM 984 N GLY A 82 -10.752 2.978 14.342 1.00 0.00 N ATOM 985 CA GLY A 82 -11.328 4.245 14.725 1.00 0.00 C ATOM 986 C GLY A 82 -12.148 4.866 13.615 1.00 0.00 C ATOM 987 O GLY A 82 -12.704 4.162 12.769 1.00 0.00 O ATOM 0 H GLY A 82 -9.810 3.039 13.955 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.958 4.104 15.603 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.531 4.931 15.012 1.00 0.00 H new ATOM 991 N HIS A 83 -12.194 6.189 13.594 1.00 0.00 N ATOM 992 CA HIS A 83 -13.039 6.909 12.646 1.00 0.00 C ATOM 993 C HIS A 83 -12.369 7.053 11.283 1.00 0.00 C ATOM 994 O HIS A 83 -12.909 7.689 10.378 1.00 0.00 O ATOM 995 CB HIS A 83 -13.411 8.283 13.203 1.00 0.00 C ATOM 996 CG HIS A 83 -14.887 8.480 13.336 1.00 0.00 C ATOM 997 ND1 HIS A 83 -15.498 8.844 14.517 1.00 0.00 N ATOM 998 CD2 HIS A 83 -15.880 8.357 12.425 1.00 0.00 C ATOM 999 CE1 HIS A 83 -16.798 8.932 14.326 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -17.058 8.643 13.066 1.00 0.00 N ATOM 0 H HIS A 83 -11.657 6.788 14.221 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.947 6.323 12.505 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.944 8.412 14.179 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -13.004 9.056 12.550 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -15.766 8.084 11.386 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -17.529 9.197 15.076 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -17.984 8.634 12.638 1.00 0.00 H new ATOM 1009 N GLU A 84 -11.189 6.469 11.145 1.00 0.00 N ATOM 1010 CA GLU A 84 -10.496 6.438 9.866 1.00 0.00 C ATOM 1011 C GLU A 84 -11.107 5.371 8.965 1.00 0.00 C ATOM 1012 O GLU A 84 -11.405 5.615 7.796 1.00 0.00 O ATOM 1013 CB GLU A 84 -9.008 6.158 10.081 1.00 0.00 C ATOM 1014 CG GLU A 84 -8.135 7.390 9.947 1.00 0.00 C ATOM 1015 CD GLU A 84 -6.788 7.072 9.341 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -6.743 6.317 8.351 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -5.770 7.574 9.854 1.00 0.00 O ATOM 0 H GLU A 84 -10.689 6.008 11.906 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.604 7.409 9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.867 5.729 11.073 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.679 5.409 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.645 8.129 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.992 7.841 10.929 1.00 0.00 H new ATOM 1024 N GLY A 85 -11.282 4.184 9.532 1.00 0.00 N ATOM 1025 CA GLY A 85 -11.915 3.079 8.834 1.00 0.00 C ATOM 1026 C GLY A 85 -11.012 2.400 7.818 1.00 0.00 C ATOM 1027 O GLY A 85 -11.022 1.178 7.698 1.00 0.00 O ATOM 0 H GLY A 85 -10.990 3.964 10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.244 2.340 9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.807 3.445 8.326 1.00 0.00 H new ATOM 1031 N VAL A 86 -10.218 3.181 7.098 1.00 0.00 N ATOM 1032 CA VAL A 86 -9.328 2.632 6.082 1.00 0.00 C ATOM 1033 C VAL A 86 -7.869 2.840 6.471 1.00 0.00 C ATOM 1034 O VAL A 86 -7.258 3.838 6.099 1.00 0.00 O ATOM 1035 CB VAL A 86 -9.575 3.273 4.696 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -9.027 2.384 3.590 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -11.056 3.540 4.472 1.00 0.00 C ATOM 0 H VAL A 86 -10.171 4.195 7.198 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.543 1.565 6.018 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.049 4.228 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.210 2.852 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.955 2.248 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.523 1.414 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -11.200 3.991 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.607 2.601 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.423 4.220 5.241 1.00 0.00 H new ATOM 1047 N THR A 87 -7.322 1.888 7.213 1.00 0.00 N ATOM 1048 CA THR A 87 -5.939 1.958 7.661 1.00 0.00 C ATOM 1049 C THR A 87 -5.521 0.619 8.270 1.00 0.00 C ATOM 1050 O THR A 87 -6.280 0.007 9.023 1.00 0.00 O ATOM 1051 CB THR A 87 -5.744 3.121 8.673 1.00 0.00 C ATOM 1052 OG1 THR A 87 -5.151 4.246 8.013 1.00 0.00 O ATOM 1053 CG2 THR A 87 -4.872 2.722 9.855 1.00 0.00 C ATOM 0 H THR A 87 -7.820 1.052 7.519 1.00 0.00 H new ATOM 0 HA THR A 87 -5.300 2.161 6.802 1.00 0.00 H new ATOM 0 HB THR A 87 -6.731 3.379 9.057 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.770 5.005 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.767 3.570 10.532 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.336 1.890 10.385 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.888 2.420 9.496 1.00 0.00 H new ATOM 1061 N GLN A 88 -4.325 0.159 7.921 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.823 -1.120 8.398 1.00 0.00 C ATOM 1063 C GLN A 88 -2.302 -1.146 8.397 1.00 0.00 C ATOM 1064 O GLN A 88 -1.669 -0.800 7.399 1.00 0.00 O ATOM 1065 CB GLN A 88 -4.347 -2.245 7.517 1.00 0.00 C ATOM 1066 CG GLN A 88 -4.443 -3.579 8.228 1.00 0.00 C ATOM 1067 CD GLN A 88 -5.395 -3.538 9.406 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -6.606 -3.387 9.237 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -4.856 -3.691 10.608 1.00 0.00 N ATOM 0 H GLN A 88 -3.683 0.658 7.305 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.173 -1.259 9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.333 -1.971 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.694 -2.351 6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.775 -4.341 7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.453 -3.875 8.575 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.848 -3.813 10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.450 -3.686 11.437 1.00 0.00 H new ATOM 1078 N GLN A 89 -1.722 -1.568 9.510 1.00 0.00 N ATOM 1079 CA GLN A 89 -0.275 -1.642 9.628 1.00 0.00 C ATOM 1080 C GLN A 89 0.264 -2.838 8.853 1.00 0.00 C ATOM 1081 O GLN A 89 -0.154 -3.976 9.069 1.00 0.00 O ATOM 1082 CB GLN A 89 0.136 -1.745 11.097 1.00 0.00 C ATOM 1083 CG GLN A 89 0.791 -0.486 11.636 1.00 0.00 C ATOM 1084 CD GLN A 89 -0.221 0.525 12.125 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -0.712 1.357 11.358 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -0.554 0.459 13.404 1.00 0.00 N ATOM 0 H GLN A 89 -2.231 -1.864 10.343 1.00 0.00 H new ATOM 0 HA GLN A 89 0.149 -0.731 9.206 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.746 -1.971 11.697 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.825 -2.582 11.215 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.461 -0.750 12.454 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.403 -0.035 10.855 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.126 -0.244 14.007 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.239 1.111 13.787 1.00 0.00 H new ATOM 1095 N THR A 90 1.189 -2.568 7.949 1.00 0.00 N ATOM 1096 CA THR A 90 1.812 -3.612 7.158 1.00 0.00 C ATOM 1097 C THR A 90 3.275 -3.762 7.555 1.00 0.00 C ATOM 1098 O THR A 90 4.092 -2.885 7.284 1.00 0.00 O ATOM 1099 CB THR A 90 1.706 -3.299 5.654 1.00 0.00 C ATOM 1100 OG1 THR A 90 0.755 -2.240 5.445 1.00 0.00 O ATOM 1101 CG2 THR A 90 1.279 -4.531 4.873 1.00 0.00 C ATOM 0 H THR A 90 1.526 -1.627 7.744 1.00 0.00 H new ATOM 0 HA THR A 90 1.288 -4.548 7.352 1.00 0.00 H new ATOM 0 HB THR A 90 2.687 -2.987 5.297 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.691 -2.042 4.487 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.211 -4.285 3.813 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.013 -5.324 5.015 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.306 -4.869 5.230 1.00 0.00 H new ATOM 1109 N LEU A 91 3.599 -4.872 8.195 1.00 0.00 N ATOM 1110 CA LEU A 91 4.943 -5.080 8.707 1.00 0.00 C ATOM 1111 C LEU A 91 5.852 -5.619 7.615 1.00 0.00 C ATOM 1112 O LEU A 91 5.735 -6.775 7.206 1.00 0.00 O ATOM 1113 CB LEU A 91 4.915 -6.042 9.897 1.00 0.00 C ATOM 1114 CG LEU A 91 5.188 -5.403 11.263 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.657 -5.533 11.629 1.00 0.00 C ATOM 1116 CD2 LEU A 91 4.768 -3.941 11.278 1.00 0.00 C ATOM 0 H LEU A 91 2.953 -5.641 8.372 1.00 0.00 H new ATOM 0 HA LEU A 91 5.337 -4.121 9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.939 -6.525 9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.653 -6.826 9.727 1.00 0.00 H new ATOM 0 HG LEU A 91 4.594 -5.935 12.006 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.832 -5.074 12.602 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.929 -6.588 11.672 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.265 -5.031 10.876 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.973 -3.514 12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.328 -3.394 10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.701 -3.867 11.066 1.00 0.00 H new ATOM 1128 N THR A 92 6.737 -4.759 7.134 1.00 0.00 N ATOM 1129 CA THR A 92 7.657 -5.117 6.069 1.00 0.00 C ATOM 1130 C THR A 92 8.970 -5.645 6.640 1.00 0.00 C ATOM 1131 O THR A 92 9.737 -4.905 7.258 1.00 0.00 O ATOM 1132 CB THR A 92 7.936 -3.901 5.168 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.834 -2.985 5.243 1.00 0.00 O ATOM 1134 CG2 THR A 92 8.152 -4.329 3.724 1.00 0.00 C ATOM 0 H THR A 92 6.836 -3.801 7.469 1.00 0.00 H new ATOM 0 HA THR A 92 7.192 -5.904 5.474 1.00 0.00 H new ATOM 0 HB THR A 92 8.845 -3.413 5.519 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.013 -2.210 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.347 -3.450 3.109 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.004 -5.007 3.669 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.260 -4.837 3.358 1.00 0.00 H new ATOM 1142 N LEU A 93 9.209 -6.930 6.448 1.00 0.00 N ATOM 1143 CA LEU A 93 10.429 -7.565 6.922 1.00 0.00 C ATOM 1144 C LEU A 93 11.351 -7.858 5.751 1.00 0.00 C ATOM 1145 O LEU A 93 10.892 -8.225 4.671 1.00 0.00 O ATOM 1146 CB LEU A 93 10.104 -8.866 7.654 1.00 0.00 C ATOM 1147 CG LEU A 93 9.496 -8.696 9.046 1.00 0.00 C ATOM 1148 CD1 LEU A 93 7.980 -8.773 8.980 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.044 -9.745 9.998 1.00 0.00 C ATOM 0 H LEU A 93 8.570 -7.560 5.963 1.00 0.00 H new ATOM 0 HA LEU A 93 10.926 -6.885 7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.413 -9.446 7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.019 -9.452 7.744 1.00 0.00 H new ATOM 0 HG LEU A 93 9.772 -7.712 9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.566 -8.650 9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.603 -7.982 8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.682 -9.742 8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.600 -9.609 10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.799 -10.739 9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.127 -9.641 10.070 1.00 0.00 H new ATOM 1161 N THR A 94 12.644 -7.697 5.964 1.00 0.00 N ATOM 1162 CA THR A 94 13.622 -7.953 4.925 1.00 0.00 C ATOM 1163 C THR A 94 14.831 -8.647 5.521 1.00 0.00 C ATOM 1164 O THR A 94 15.312 -8.243 6.574 1.00 0.00 O ATOM 1165 CB THR A 94 14.072 -6.645 4.246 1.00 0.00 C ATOM 1166 OG1 THR A 94 13.045 -5.650 4.371 1.00 0.00 O ATOM 1167 CG2 THR A 94 14.393 -6.873 2.774 1.00 0.00 C ATOM 0 H THR A 94 13.042 -7.389 6.851 1.00 0.00 H new ATOM 0 HA THR A 94 13.156 -8.590 4.174 1.00 0.00 H new ATOM 0 HB THR A 94 14.977 -6.298 4.744 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.338 -4.821 3.939 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.708 -5.933 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.196 -7.605 2.686 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.506 -7.244 2.261 1.00 0.00 H new ATOM 1175 N PHE A 95 15.304 -9.694 4.873 1.00 0.00 N ATOM 1176 CA PHE A 95 16.474 -10.405 5.353 1.00 0.00 C ATOM 1177 C PHE A 95 17.457 -10.635 4.219 1.00 0.00 C ATOM 1178 O PHE A 95 17.061 -10.882 3.080 1.00 0.00 O ATOM 1179 CB PHE A 95 16.079 -11.737 6.012 1.00 0.00 C ATOM 1180 CG PHE A 95 15.185 -12.613 5.176 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.806 -12.486 5.246 1.00 0.00 C ATOM 1182 CD2 PHE A 95 15.724 -13.567 4.327 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.984 -13.293 4.483 1.00 0.00 C ATOM 1184 CE2 PHE A 95 14.907 -14.379 3.564 1.00 0.00 C ATOM 1185 CZ PHE A 95 13.535 -14.241 3.641 1.00 0.00 C ATOM 0 H PHE A 95 14.898 -10.070 4.016 1.00 0.00 H new ATOM 0 HA PHE A 95 16.959 -9.789 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.987 -12.291 6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.577 -11.525 6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.370 -11.749 5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 95 16.796 -13.677 4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.911 -13.183 4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 95 15.340 -15.120 2.909 1.00 0.00 H new ATOM 0 HZ PHE A 95 12.894 -14.873 3.044 1.00 0.00 H new ATOM 1195 N ASN A 96 18.734 -10.514 4.533 1.00 0.00 N ATOM 1196 CA ASN A 96 19.785 -10.786 3.572 1.00 0.00 C ATOM 1197 C ASN A 96 19.971 -12.289 3.445 1.00 0.00 C ATOM 1198 O ASN A 96 19.641 -13.035 4.372 1.00 0.00 O ATOM 1199 CB ASN A 96 21.097 -10.119 4.006 1.00 0.00 C ATOM 1200 CG ASN A 96 21.990 -9.746 2.834 1.00 0.00 C ATOM 1201 OD1 ASN A 96 22.180 -10.530 1.905 1.00 0.00 O ATOM 1202 ND2 ASN A 96 22.554 -8.549 2.869 1.00 0.00 N ATOM 0 H ASN A 96 19.069 -10.227 5.453 1.00 0.00 H new ATOM 0 HA ASN A 96 19.501 -10.374 2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 96 20.869 -9.222 4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 96 21.639 -10.794 4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 96 23.168 -8.252 2.110 1.00 0.00 H new ATOM 0 HD22 ASN A 96 22.375 -7.924 3.655 1.00 0.00 H new ATOM 1209 N SER A 97 20.515 -12.717 2.310 1.00 0.00 N ATOM 1210 CA SER A 97 20.700 -14.132 1.995 1.00 0.00 C ATOM 1211 C SER A 97 21.563 -14.850 3.037 1.00 0.00 C ATOM 1212 O SER A 97 21.607 -16.082 3.082 1.00 0.00 O ATOM 1213 CB SER A 97 21.330 -14.252 0.608 1.00 0.00 C ATOM 1214 OG SER A 97 21.111 -13.067 -0.144 1.00 0.00 O ATOM 0 H SER A 97 20.843 -12.088 1.577 1.00 0.00 H new ATOM 0 HA SER A 97 19.723 -14.616 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 97 22.400 -14.436 0.703 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.905 -15.107 0.082 1.00 0.00 H new ATOM 0 HG SER A 97 21.864 -12.453 -0.013 1.00 0.00 H new ATOM 1220 N SER A 98 22.240 -14.074 3.873 1.00 0.00 N ATOM 1221 CA SER A 98 23.035 -14.611 4.963 1.00 0.00 C ATOM 1222 C SER A 98 22.127 -15.136 6.082 1.00 0.00 C ATOM 1223 O SER A 98 22.564 -15.882 6.960 1.00 0.00 O ATOM 1224 CB SER A 98 23.944 -13.503 5.487 1.00 0.00 C ATOM 1225 OG SER A 98 23.567 -12.252 4.921 1.00 0.00 O ATOM 0 H SER A 98 22.252 -13.056 3.813 1.00 0.00 H new ATOM 0 HA SER A 98 23.638 -15.446 4.606 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.880 -13.453 6.574 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.982 -13.725 5.239 1.00 0.00 H new ATOM 0 HG SER A 98 24.155 -11.547 5.265 1.00 0.00 H new ATOM 1231 N GLY A 99 20.858 -14.747 6.028 1.00 0.00 N ATOM 1232 CA GLY A 99 19.899 -15.165 7.026 1.00 0.00 C ATOM 1233 C GLY A 99 19.702 -14.119 8.102 1.00 0.00 C ATOM 1234 O GLY A 99 19.217 -14.423 9.180 1.00 0.00 O ATOM 0 H GLY A 99 20.476 -14.143 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.943 -15.373 6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 99 20.235 -16.096 7.483 1.00 0.00 H new ATOM 1238 N VAL A 100 20.075 -12.887 7.795 1.00 0.00 N ATOM 1239 CA VAL A 100 20.035 -11.793 8.745 1.00 0.00 C ATOM 1240 C VAL A 100 18.996 -10.757 8.326 1.00 0.00 C ATOM 1241 O VAL A 100 19.011 -10.288 7.188 1.00 0.00 O ATOM 1242 CB VAL A 100 21.435 -11.136 8.853 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.351 -9.658 9.206 1.00 0.00 C ATOM 1244 CG2 VAL A 100 22.289 -11.881 9.869 1.00 0.00 C ATOM 0 H VAL A 100 20.416 -12.619 6.872 1.00 0.00 H new ATOM 0 HA VAL A 100 19.752 -12.188 9.721 1.00 0.00 H new ATOM 0 HB VAL A 100 21.905 -11.204 7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.356 -9.242 9.270 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.789 -9.131 8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.848 -9.541 10.166 1.00 0.00 H new ATOM 0 HG21 VAL A 100 23.270 -11.410 9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.804 -11.849 10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 100 22.406 -12.918 9.555 1.00 0.00 H new ATOM 1254 N LEU A 101 18.084 -10.429 9.237 1.00 0.00 N ATOM 1255 CA LEU A 101 17.112 -9.357 9.018 1.00 0.00 C ATOM 1256 C LEU A 101 17.833 -8.059 8.678 1.00 0.00 C ATOM 1257 O LEU A 101 18.459 -7.453 9.539 1.00 0.00 O ATOM 1258 CB LEU A 101 16.270 -9.143 10.278 1.00 0.00 C ATOM 1259 CG LEU A 101 14.884 -9.792 10.276 1.00 0.00 C ATOM 1260 CD1 LEU A 101 13.978 -9.124 9.256 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.983 -11.286 10.000 1.00 0.00 C ATOM 0 H LEU A 101 17.996 -10.893 10.141 1.00 0.00 H new ATOM 0 HA LEU A 101 16.463 -9.644 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.827 -9.526 11.133 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.147 -8.071 10.431 1.00 0.00 H new ATOM 0 HG LEU A 101 14.449 -9.655 11.266 1.00 0.00 H new ATOM 0 HD11 LEU A 101 12.998 -9.601 9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.871 -8.067 9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.414 -9.223 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.985 -11.724 10.004 1.00 0.00 H new ATOM 0 HD22 LEU A 101 15.446 -11.446 9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.590 -11.759 10.772 1.00 0.00 H new ATOM 1273 N THR A 102 17.749 -7.638 7.430 1.00 0.00 N ATOM 1274 CA THR A 102 18.414 -6.429 6.994 1.00 0.00 C ATOM 1275 C THR A 102 17.656 -5.196 7.474 1.00 0.00 C ATOM 1276 O THR A 102 18.256 -4.155 7.758 1.00 0.00 O ATOM 1277 CB THR A 102 18.540 -6.399 5.464 1.00 0.00 C ATOM 1278 OG1 THR A 102 17.654 -7.367 4.884 1.00 0.00 O ATOM 1279 CG2 THR A 102 19.966 -6.700 5.041 1.00 0.00 C ATOM 0 H THR A 102 17.224 -8.119 6.699 1.00 0.00 H new ATOM 0 HA THR A 102 19.414 -6.421 7.429 1.00 0.00 H new ATOM 0 HB THR A 102 18.272 -5.402 5.114 1.00 0.00 H new ATOM 0 HG1 THR A 102 17.737 -7.343 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.036 -6.674 3.954 1.00 0.00 H new ATOM 0 HG22 THR A 102 20.637 -5.953 5.466 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.251 -7.689 5.400 1.00 0.00 H new ATOM 1287 N ASN A 103 16.336 -5.317 7.574 1.00 0.00 N ATOM 1288 CA ASN A 103 15.505 -4.214 8.039 1.00 0.00 C ATOM 1289 C ASN A 103 14.094 -4.686 8.357 1.00 0.00 C ATOM 1290 O ASN A 103 13.595 -5.644 7.761 1.00 0.00 O ATOM 1291 CB ASN A 103 15.442 -3.099 6.986 1.00 0.00 C ATOM 1292 CG ASN A 103 14.764 -1.844 7.510 1.00 0.00 C ATOM 1293 OD1 ASN A 103 14.865 -1.522 8.694 1.00 0.00 O ATOM 1294 ND2 ASN A 103 14.073 -1.126 6.636 1.00 0.00 N ATOM 0 H ASN A 103 15.821 -6.166 7.340 1.00 0.00 H new ATOM 0 HA ASN A 103 15.960 -3.824 8.949 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.453 -2.853 6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.904 -3.461 6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.601 -0.273 6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.013 -1.426 5.663 1.00 0.00 H new ATOM 1301 N ILE A 104 13.469 -4.017 9.314 1.00 0.00 N ATOM 1302 CA ILE A 104 12.061 -4.209 9.602 1.00 0.00 C ATOM 1303 C ILE A 104 11.372 -2.857 9.596 1.00 0.00 C ATOM 1304 O ILE A 104 11.916 -1.875 10.110 1.00 0.00 O ATOM 1305 CB ILE A 104 11.810 -4.876 10.971 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.255 -6.339 10.949 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.332 -4.768 11.334 1.00 0.00 C ATOM 1308 CD1 ILE A 104 12.986 -6.768 12.204 1.00 0.00 C ATOM 0 H ILE A 104 13.925 -3.327 9.911 1.00 0.00 H new ATOM 0 HA ILE A 104 11.663 -4.872 8.834 1.00 0.00 H new ATOM 0 HB ILE A 104 12.398 -4.358 11.729 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.380 -6.974 10.813 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.903 -6.500 10.088 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.159 -5.240 12.301 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.046 -3.717 11.387 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.733 -5.269 10.574 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.272 -7.816 12.118 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.880 -6.158 12.331 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.333 -6.639 13.067 1.00 0.00 H new ATOM 1320 N ASP A 105 10.193 -2.802 9.014 1.00 0.00 N ATOM 1321 CA ASP A 105 9.438 -1.567 8.958 1.00 0.00 C ATOM 1322 C ASP A 105 8.137 -1.681 9.744 1.00 0.00 C ATOM 1323 O ASP A 105 7.178 -2.301 9.284 1.00 0.00 O ATOM 1324 CB ASP A 105 9.134 -1.226 7.509 1.00 0.00 C ATOM 1325 CG ASP A 105 9.348 0.243 7.191 1.00 0.00 C ATOM 1326 OD1 ASP A 105 10.286 0.851 7.754 1.00 0.00 O ATOM 1327 OD2 ASP A 105 8.595 0.790 6.359 1.00 0.00 O ATOM 0 H ASP A 105 9.735 -3.599 8.572 1.00 0.00 H new ATOM 0 HA ASP A 105 10.038 -0.776 9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.767 -1.829 6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.101 -1.494 7.287 1.00 0.00 H new ATOM 1332 N ASN A 106 8.120 -1.100 10.937 1.00 0.00 N ATOM 1333 CA ASN A 106 6.899 -1.006 11.731 1.00 0.00 C ATOM 1334 C ASN A 106 6.469 0.449 11.820 1.00 0.00 C ATOM 1335 O ASN A 106 7.035 1.230 12.587 1.00 0.00 O ATOM 1336 CB ASN A 106 7.112 -1.578 13.140 1.00 0.00 C ATOM 1337 CG ASN A 106 5.916 -1.346 14.052 1.00 0.00 C ATOM 1338 OD1 ASN A 106 4.903 -2.039 13.958 1.00 0.00 O ATOM 1339 ND2 ASN A 106 6.022 -0.367 14.936 1.00 0.00 N ATOM 0 H ASN A 106 8.941 -0.685 11.378 1.00 0.00 H new ATOM 0 HA ASN A 106 6.119 -1.592 11.244 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.307 -2.648 13.068 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.997 -1.121 13.584 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.248 -0.166 15.569 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.878 0.186 14.984 1.00 0.00 H new ATOM 1346 N LYS A 107 5.482 0.812 11.020 1.00 0.00 N ATOM 1347 CA LYS A 107 5.019 2.188 10.953 1.00 0.00 C ATOM 1348 C LYS A 107 3.522 2.226 10.670 1.00 0.00 C ATOM 1349 O LYS A 107 2.976 1.284 10.091 1.00 0.00 O ATOM 1350 CB LYS A 107 5.781 2.950 9.861 1.00 0.00 C ATOM 1351 CG LYS A 107 7.106 3.533 10.332 1.00 0.00 C ATOM 1352 CD LYS A 107 8.283 2.937 9.573 1.00 0.00 C ATOM 1353 CE LYS A 107 9.221 2.170 10.496 1.00 0.00 C ATOM 1354 NZ LYS A 107 10.487 2.910 10.741 1.00 0.00 N ATOM 0 H LYS A 107 4.983 0.170 10.404 1.00 0.00 H new ATOM 0 HA LYS A 107 5.207 2.668 11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.967 2.277 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.151 3.757 9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.096 4.615 10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.228 3.345 11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.913 2.270 8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.835 3.734 9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.721 1.982 11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.448 1.198 10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.097 2.354 11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.977 3.068 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.273 3.827 11.184 1.00 0.00 H new ATOM 1368 N PRO A 108 2.837 3.304 11.095 1.00 0.00 N ATOM 1369 CA PRO A 108 1.401 3.490 10.837 1.00 0.00 C ATOM 1370 C PRO A 108 1.067 3.447 9.347 1.00 0.00 C ATOM 1371 O PRO A 108 1.899 3.788 8.507 1.00 0.00 O ATOM 1372 CB PRO A 108 1.115 4.883 11.405 1.00 0.00 C ATOM 1373 CG PRO A 108 2.184 5.107 12.417 1.00 0.00 C ATOM 1374 CD PRO A 108 3.403 4.422 11.870 1.00 0.00 C ATOM 0 HA PRO A 108 0.802 2.698 11.287 1.00 0.00 H new ATOM 0 HB2 PRO A 108 1.144 5.643 10.624 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.125 4.930 11.858 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.366 6.171 12.567 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.902 4.692 13.385 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.993 5.090 11.242 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.059 4.070 12.666 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.153 3.023 9.031 1.00 0.00 N ATOM 1383 CA ALA A 109 -0.596 2.911 7.644 1.00 0.00 C ATOM 1384 C ALA A 109 -0.556 4.268 6.939 1.00 0.00 C ATOM 1385 O ALA A 109 0.385 4.551 6.196 1.00 0.00 O ATOM 1386 CB ALA A 109 -1.994 2.308 7.576 1.00 0.00 C ATOM 0 H ALA A 109 -0.855 2.750 9.719 1.00 0.00 H new ATOM 0 HA ALA A 109 0.093 2.245 7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.307 2.232 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.984 1.315 8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.692 2.945 8.119 1.00 0.00 H new ATOM 1392 N LEU A 110 -1.571 5.100 7.185 1.00 0.00 N ATOM 1393 CA LEU A 110 -1.666 6.429 6.574 1.00 0.00 C ATOM 1394 C LEU A 110 -1.599 6.332 5.046 1.00 0.00 C ATOM 1395 O LEU A 110 -2.593 6.002 4.395 1.00 0.00 O ATOM 1396 CB LEU A 110 -0.551 7.343 7.110 1.00 0.00 C ATOM 1397 CG LEU A 110 -0.991 8.741 7.572 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -0.907 9.735 6.425 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -2.400 8.707 8.146 1.00 0.00 C ATOM 0 H LEU A 110 -2.346 4.874 7.809 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.629 6.863 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.068 6.840 7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.202 7.460 6.331 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.312 9.065 8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.223 10.719 6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.121 9.790 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.559 9.410 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.687 9.709 8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.095 8.356 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.428 8.032 9.001 1.00 0.00 H new