USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=23 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= 1.09 K(o=1.6,f=-0.59!) USER MOD Set 1.2: A 98 SER OG : rot 75:sc= 0.548 USER MOD Set 2.1: A 94 THR OG1 : rot 142:sc= 0.00469 USER MOD Set 2.2: A 103 ASN : amide:sc= -0.125 K(o=-0.12,f=-0.71) USER MOD Set 3.1: A 80 GLN : amide:sc= 0.78 K(o=-1.2,f=-14!) USER MOD Set 3.2: A 88 GLN : amide:sc= 0.186 K(o=-1.2,f=-3.9) USER MOD Set 3.3: A 89 GLN : amide:sc= -2.2! C(o=-1.2!,f=-6.7!) USER MOD Set 4.1: A 61 THR OG1 : rot -85:sc= 0.445 USER MOD Set 4.2: A 75 TYR OH : rot 15:sc= 0.305 USER MOD Set 5.1: A 52 GLN : amide:sc= 1.04 K(o=2.1,f=0.43) USER MOD Set 5.2: A 53 GLN : amide:sc= 1.02 K(o=2.1,f=0.43) USER MOD Set 6.1: A 51 THR OG1 : rot -140:sc= 1.11 USER MOD Set 6.2: A 54 GLN : amide:sc= 1.18 K(o=2.3,f=1.7) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 100:sc= 0.118 USER MOD Single : A 45 LYS NZ :NH3+ -127:sc= 1.5 (180deg=-0.988!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -163:sc= -0.168 (180deg=-0.215) USER MOD Single : A 65 SER OG : rot 180:sc= 0.117 USER MOD Single : A 70 THR OG1 : rot 179:sc= 0.0462 USER MOD Single : A 71 ASN : amide:sc= 0.173 X(o=0.17,f=-0.23) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.0936 K(o=0.094,f=-4.1!) USER MOD Single : A 87 THR OG1 : rot -102:sc= 1.26 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 86:sc= 0.164 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.0136 F(o=-2.6!,f=-0.014) USER MOD Single : A 107 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 257 N ASN A 36 -5.466 -16.924 15.904 1.00 0.00 N ATOM 258 CA ASN A 36 -5.961 -16.236 14.709 1.00 0.00 C ATOM 259 C ASN A 36 -4.834 -15.493 13.994 1.00 0.00 C ATOM 260 O ASN A 36 -4.279 -15.992 13.014 1.00 0.00 O ATOM 261 CB ASN A 36 -7.109 -15.272 15.047 1.00 0.00 C ATOM 262 CG ASN A 36 -7.660 -14.571 13.814 1.00 0.00 C ATOM 263 OD1 ASN A 36 -7.351 -13.408 13.556 1.00 0.00 O ATOM 264 ND2 ASN A 36 -8.483 -15.271 13.044 1.00 0.00 N ATOM 0 HA ASN A 36 -6.351 -17.000 14.036 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.911 -15.824 15.537 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.756 -14.526 15.758 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.882 -14.847 12.207 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.717 -16.233 13.289 1.00 0.00 H new ATOM 271 N TYR A 37 -4.481 -14.323 14.503 1.00 0.00 N ATOM 272 CA TYR A 37 -3.485 -13.475 13.867 1.00 0.00 C ATOM 273 C TYR A 37 -2.242 -13.358 14.741 1.00 0.00 C ATOM 274 O TYR A 37 -2.268 -13.719 15.920 1.00 0.00 O ATOM 275 CB TYR A 37 -4.079 -12.087 13.582 1.00 0.00 C ATOM 276 CG TYR A 37 -4.190 -11.184 14.798 1.00 0.00 C ATOM 277 CD1 TYR A 37 -4.915 -11.570 15.920 1.00 0.00 C ATOM 278 CD2 TYR A 37 -3.569 -9.941 14.818 1.00 0.00 C ATOM 279 CE1 TYR A 37 -5.014 -10.747 17.026 1.00 0.00 C ATOM 280 CE2 TYR A 37 -3.664 -9.113 15.920 1.00 0.00 C ATOM 281 CZ TYR A 37 -4.387 -9.520 17.019 1.00 0.00 C ATOM 282 OH TYR A 37 -4.482 -8.696 18.121 1.00 0.00 O ATOM 0 H TYR A 37 -4.873 -13.937 15.362 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.192 -13.930 12.921 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.464 -11.590 12.832 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.071 -12.213 13.148 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.410 -12.530 15.927 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.003 -9.617 13.958 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.579 -11.064 17.890 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.173 -8.151 15.919 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.983 -7.869 17.955 1.00 0.00 H new ATOM 292 N LEU A 38 -1.159 -12.866 14.161 1.00 0.00 N ATOM 293 CA LEU A 38 0.081 -12.685 14.899 1.00 0.00 C ATOM 294 C LEU A 38 0.008 -11.417 15.739 1.00 0.00 C ATOM 295 O LEU A 38 -0.459 -10.382 15.272 1.00 0.00 O ATOM 296 CB LEU A 38 1.271 -12.620 13.932 1.00 0.00 C ATOM 297 CG LEU A 38 2.475 -13.498 14.300 1.00 0.00 C ATOM 298 CD1 LEU A 38 3.387 -12.778 15.282 1.00 0.00 C ATOM 299 CD2 LEU A 38 2.018 -14.832 14.871 1.00 0.00 C ATOM 0 H LEU A 38 -1.113 -12.585 13.182 1.00 0.00 H new ATOM 0 HA LEU A 38 0.223 -13.537 15.564 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.925 -12.907 12.939 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.606 -11.585 13.866 1.00 0.00 H new ATOM 0 HG LEU A 38 3.041 -13.694 13.389 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.234 -13.419 15.529 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.750 -11.854 14.831 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.832 -12.544 16.190 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.889 -15.437 15.124 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.423 -14.659 15.768 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.414 -15.357 14.131 1.00 0.00 H new ATOM 311 N THR A 39 0.451 -11.506 16.982 1.00 0.00 N ATOM 312 CA THR A 39 0.451 -10.360 17.872 1.00 0.00 C ATOM 313 C THR A 39 1.744 -9.563 17.701 1.00 0.00 C ATOM 314 O THR A 39 2.812 -10.142 17.505 1.00 0.00 O ATOM 315 CB THR A 39 0.307 -10.830 19.332 1.00 0.00 C ATOM 316 OG1 THR A 39 -0.344 -12.111 19.361 1.00 0.00 O ATOM 317 CG2 THR A 39 -0.493 -9.829 20.150 1.00 0.00 C ATOM 0 H THR A 39 0.816 -12.363 17.397 1.00 0.00 H new ATOM 0 HA THR A 39 -0.393 -9.717 17.622 1.00 0.00 H new ATOM 0 HB THR A 39 1.302 -10.911 19.770 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.434 -12.411 20.290 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.580 -10.185 21.177 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.014 -8.864 20.142 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.488 -9.719 19.719 1.00 0.00 H new ATOM 325 N ALA A 40 1.650 -8.241 17.794 1.00 0.00 N ATOM 326 CA ALA A 40 2.804 -7.378 17.581 1.00 0.00 C ATOM 327 C ALA A 40 3.730 -7.415 18.785 1.00 0.00 C ATOM 328 O ALA A 40 4.938 -7.203 18.665 1.00 0.00 O ATOM 329 CB ALA A 40 2.354 -5.953 17.291 1.00 0.00 C ATOM 0 H ALA A 40 0.787 -7.745 18.015 1.00 0.00 H new ATOM 0 HA ALA A 40 3.357 -7.747 16.717 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.228 -5.320 17.134 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.733 -5.943 16.395 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.779 -5.574 18.136 1.00 0.00 H new ATOM 335 N ASN A 41 3.155 -7.697 19.946 1.00 0.00 N ATOM 336 CA ASN A 41 3.928 -7.824 21.177 1.00 0.00 C ATOM 337 C ASN A 41 4.821 -9.059 21.130 1.00 0.00 C ATOM 338 O ASN A 41 5.820 -9.145 21.842 1.00 0.00 O ATOM 339 CB ASN A 41 2.999 -7.912 22.390 1.00 0.00 C ATOM 340 CG ASN A 41 2.987 -6.635 23.205 1.00 0.00 C ATOM 341 OD1 ASN A 41 2.115 -5.782 23.031 1.00 0.00 O ATOM 342 ND2 ASN A 41 3.946 -6.496 24.105 1.00 0.00 N ATOM 0 H ASN A 41 2.152 -7.843 20.063 1.00 0.00 H new ATOM 0 HA ASN A 41 4.554 -6.937 21.270 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.986 -8.134 22.053 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.312 -8.741 23.024 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.982 -5.659 24.686 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.649 -7.226 24.218 1.00 0.00 H new ATOM 349 N ASP A 42 4.460 -10.012 20.279 1.00 0.00 N ATOM 350 CA ASP A 42 5.223 -11.246 20.145 1.00 0.00 C ATOM 351 C ASP A 42 6.419 -11.039 19.222 1.00 0.00 C ATOM 352 O ASP A 42 7.458 -11.680 19.377 1.00 0.00 O ATOM 353 CB ASP A 42 4.336 -12.366 19.606 1.00 0.00 C ATOM 354 CG ASP A 42 4.917 -13.740 19.876 1.00 0.00 C ATOM 355 OD1 ASP A 42 4.845 -14.207 21.033 1.00 0.00 O ATOM 356 OD2 ASP A 42 5.456 -14.357 18.938 1.00 0.00 O ATOM 0 H ASP A 42 3.643 -9.953 19.671 1.00 0.00 H new ATOM 0 HA ASP A 42 5.588 -11.530 21.132 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.348 -12.296 20.062 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.202 -12.235 18.532 1.00 0.00 H new ATOM 361 N VAL A 43 6.274 -10.118 18.273 1.00 0.00 N ATOM 362 CA VAL A 43 7.336 -9.816 17.315 1.00 0.00 C ATOM 363 C VAL A 43 8.532 -9.173 18.014 1.00 0.00 C ATOM 364 O VAL A 43 9.638 -9.145 17.483 1.00 0.00 O ATOM 365 CB VAL A 43 6.841 -8.887 16.186 1.00 0.00 C ATOM 366 CG1 VAL A 43 7.802 -8.908 15.005 1.00 0.00 C ATOM 367 CG2 VAL A 43 5.445 -9.289 15.738 1.00 0.00 C ATOM 0 H VAL A 43 5.427 -9.565 18.146 1.00 0.00 H new ATOM 0 HA VAL A 43 7.643 -10.764 16.872 1.00 0.00 H new ATOM 0 HB VAL A 43 6.802 -7.870 16.577 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.431 -8.246 14.223 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.786 -8.570 15.330 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.878 -9.923 14.615 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.113 -8.623 14.942 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.462 -10.315 15.370 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.758 -9.218 16.581 1.00 0.00 H new ATOM 377 N SER A 44 8.306 -8.680 19.224 1.00 0.00 N ATOM 378 CA SER A 44 9.364 -8.065 20.011 1.00 0.00 C ATOM 379 C SER A 44 10.382 -9.109 20.485 1.00 0.00 C ATOM 380 O SER A 44 11.403 -8.767 21.080 1.00 0.00 O ATOM 381 CB SER A 44 8.754 -7.331 21.201 1.00 0.00 C ATOM 382 OG SER A 44 7.526 -6.723 20.831 1.00 0.00 O ATOM 0 H SER A 44 7.395 -8.695 19.683 1.00 0.00 H new ATOM 0 HA SER A 44 9.895 -7.351 19.382 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.589 -8.029 22.021 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.448 -6.573 21.563 1.00 0.00 H new ATOM 0 HG SER A 44 6.780 -7.285 21.128 1.00 0.00 H new ATOM 388 N LYS A 45 10.088 -10.384 20.234 1.00 0.00 N ATOM 389 CA LYS A 45 11.000 -11.468 20.591 1.00 0.00 C ATOM 390 C LYS A 45 12.177 -11.541 19.621 1.00 0.00 C ATOM 391 O LYS A 45 13.237 -12.066 19.964 1.00 0.00 O ATOM 392 CB LYS A 45 10.269 -12.812 20.608 1.00 0.00 C ATOM 393 CG LYS A 45 9.233 -12.937 21.718 1.00 0.00 C ATOM 394 CD LYS A 45 8.609 -14.329 21.767 1.00 0.00 C ATOM 395 CE LYS A 45 8.502 -14.956 20.383 1.00 0.00 C ATOM 396 NZ LYS A 45 7.256 -15.747 20.219 1.00 0.00 N ATOM 0 H LYS A 45 9.225 -10.691 19.785 1.00 0.00 H new ATOM 0 HA LYS A 45 11.381 -11.256 21.590 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.777 -12.959 19.647 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.002 -13.612 20.716 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.702 -12.716 22.677 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.450 -12.194 21.567 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.208 -14.972 22.411 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.617 -14.266 22.214 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.534 -14.171 19.627 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.364 -15.600 20.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.493 -16.704 19.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.761 -15.808 21.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.640 -15.283 19.522 1.00 0.00 H new ATOM 410 N ILE A 46 11.992 -11.017 18.414 1.00 0.00 N ATOM 411 CA ILE A 46 13.045 -11.044 17.404 1.00 0.00 C ATOM 412 C ILE A 46 13.679 -9.666 17.252 1.00 0.00 C ATOM 413 O ILE A 46 13.300 -8.724 17.948 1.00 0.00 O ATOM 414 CB ILE A 46 12.523 -11.533 16.034 1.00 0.00 C ATOM 415 CG1 ILE A 46 11.440 -10.597 15.494 1.00 0.00 C ATOM 416 CG2 ILE A 46 11.990 -12.956 16.143 1.00 0.00 C ATOM 417 CD1 ILE A 46 11.782 -9.990 14.150 1.00 0.00 C ATOM 0 H ILE A 46 11.126 -10.570 18.112 1.00 0.00 H new ATOM 0 HA ILE A 46 13.798 -11.753 17.748 1.00 0.00 H new ATOM 0 HB ILE A 46 13.357 -11.526 15.333 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.504 -11.149 15.407 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.272 -9.796 16.213 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.627 -13.284 15.169 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.789 -13.619 16.474 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.173 -12.984 16.864 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.970 -9.338 13.828 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.701 -9.410 14.236 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.922 -10.784 13.417 1.00 0.00 H new ATOM 429 N ARG A 47 14.643 -9.546 16.348 1.00 0.00 N ATOM 430 CA ARG A 47 15.359 -8.288 16.160 1.00 0.00 C ATOM 431 C ARG A 47 15.914 -8.190 14.749 1.00 0.00 C ATOM 432 O ARG A 47 15.921 -9.170 14.013 1.00 0.00 O ATOM 433 CB ARG A 47 16.502 -8.159 17.170 1.00 0.00 C ATOM 434 CG ARG A 47 17.369 -9.404 17.291 1.00 0.00 C ATOM 435 CD ARG A 47 17.624 -9.749 18.747 1.00 0.00 C ATOM 436 NE ARG A 47 18.876 -10.480 18.943 1.00 0.00 N ATOM 437 CZ ARG A 47 19.137 -11.232 20.016 1.00 0.00 C ATOM 438 NH1 ARG A 47 18.200 -11.432 20.935 1.00 0.00 N ATOM 439 NH2 ARG A 47 20.330 -11.799 20.160 1.00 0.00 N ATOM 0 H ARG A 47 14.947 -10.302 15.734 1.00 0.00 H new ATOM 0 HA ARG A 47 14.651 -7.475 16.320 1.00 0.00 H new ATOM 0 HB2 ARG A 47 17.132 -7.317 16.883 1.00 0.00 H new ATOM 0 HB3 ARG A 47 16.083 -7.925 18.149 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.879 -10.242 16.795 1.00 0.00 H new ATOM 0 HG3 ARG A 47 18.318 -9.242 16.780 1.00 0.00 H new ATOM 0 HD2 ARG A 47 17.648 -8.831 19.335 1.00 0.00 H new ATOM 0 HD3 ARG A 47 16.795 -10.348 19.125 1.00 0.00 H new ATOM 0 HE ARG A 47 19.591 -10.412 18.219 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.278 -11.011 20.823 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.402 -12.007 21.753 1.00 0.00 H new ATOM 0 HH21 ARG A 47 21.049 -11.661 19.450 1.00 0.00 H new ATOM 0 HH22 ARG A 47 20.526 -12.373 20.980 1.00 0.00 H new ATOM 453 N VAL A 48 16.375 -7.005 14.381 1.00 0.00 N ATOM 454 CA VAL A 48 16.985 -6.794 13.076 1.00 0.00 C ATOM 455 C VAL A 48 18.346 -7.486 13.009 1.00 0.00 C ATOM 456 O VAL A 48 19.094 -7.502 13.986 1.00 0.00 O ATOM 457 CB VAL A 48 17.122 -5.282 12.759 1.00 0.00 C ATOM 458 CG1 VAL A 48 17.996 -4.580 13.788 1.00 0.00 C ATOM 459 CG2 VAL A 48 17.659 -5.058 11.350 1.00 0.00 C ATOM 0 H VAL A 48 16.339 -6.172 14.969 1.00 0.00 H new ATOM 0 HA VAL A 48 16.333 -7.233 12.321 1.00 0.00 H new ATOM 0 HB VAL A 48 16.124 -4.846 12.811 1.00 0.00 H new ATOM 0 HG11 VAL A 48 18.073 -3.522 13.539 1.00 0.00 H new ATOM 0 HG12 VAL A 48 17.552 -4.688 14.777 1.00 0.00 H new ATOM 0 HG13 VAL A 48 18.990 -5.026 13.786 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.743 -3.988 11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 48 18.641 -5.522 11.257 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.977 -5.503 10.626 1.00 0.00 H new ATOM 469 N GLY A 49 18.646 -8.086 11.866 1.00 0.00 N ATOM 470 CA GLY A 49 19.876 -8.841 11.708 1.00 0.00 C ATOM 471 C GLY A 49 19.761 -10.234 12.276 1.00 0.00 C ATOM 472 O GLY A 49 20.726 -11.001 12.270 1.00 0.00 O ATOM 0 H GLY A 49 18.053 -8.063 11.036 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.131 -8.901 10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.691 -8.314 12.203 1.00 0.00 H new ATOM 476 N MET A 50 18.582 -10.556 12.782 1.00 0.00 N ATOM 477 CA MET A 50 18.284 -11.896 13.222 1.00 0.00 C ATOM 478 C MET A 50 17.943 -12.750 12.009 1.00 0.00 C ATOM 479 O MET A 50 17.431 -12.236 11.010 1.00 0.00 O ATOM 480 CB MET A 50 17.121 -11.876 14.215 1.00 0.00 C ATOM 481 CG MET A 50 17.354 -12.732 15.442 1.00 0.00 C ATOM 482 SD MET A 50 15.828 -13.449 16.080 1.00 0.00 S ATOM 483 CE MET A 50 16.162 -13.462 17.839 1.00 0.00 C ATOM 0 H MET A 50 17.813 -9.896 12.896 1.00 0.00 H new ATOM 0 HA MET A 50 19.151 -12.322 13.727 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.940 -10.848 14.529 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.218 -12.218 13.710 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.053 -13.532 15.196 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.821 -12.128 16.220 1.00 0.00 H new ATOM 0 HE1 MET A 50 15.306 -13.880 18.369 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.044 -14.071 18.037 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.340 -12.443 18.183 1.00 0.00 H new ATOM 493 N THR A 51 18.252 -14.031 12.081 1.00 0.00 N ATOM 494 CA THR A 51 18.015 -14.931 10.966 1.00 0.00 C ATOM 495 C THR A 51 16.534 -15.267 10.851 1.00 0.00 C ATOM 496 O THR A 51 15.834 -15.380 11.859 1.00 0.00 O ATOM 497 CB THR A 51 18.817 -16.237 11.121 1.00 0.00 C ATOM 498 OG1 THR A 51 18.997 -16.534 12.511 1.00 0.00 O ATOM 499 CG2 THR A 51 20.174 -16.125 10.444 1.00 0.00 C ATOM 0 H THR A 51 18.668 -14.473 12.901 1.00 0.00 H new ATOM 0 HA THR A 51 18.344 -14.419 10.062 1.00 0.00 H new ATOM 0 HB THR A 51 18.257 -17.041 10.643 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.903 -16.878 12.657 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.721 -17.060 10.568 1.00 0.00 H new ATOM 0 HG22 THR A 51 20.035 -15.924 9.382 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.740 -15.311 10.897 1.00 0.00 H new ATOM 507 N GLN A 52 16.069 -15.437 9.621 1.00 0.00 N ATOM 508 CA GLN A 52 14.676 -15.768 9.356 1.00 0.00 C ATOM 509 C GLN A 52 14.288 -17.077 10.042 1.00 0.00 C ATOM 510 O GLN A 52 13.128 -17.287 10.379 1.00 0.00 O ATOM 511 CB GLN A 52 14.427 -15.849 7.841 1.00 0.00 C ATOM 512 CG GLN A 52 14.607 -17.239 7.244 1.00 0.00 C ATOM 513 CD GLN A 52 15.498 -17.237 6.021 1.00 0.00 C ATOM 514 OE1 GLN A 52 15.166 -16.645 4.996 1.00 0.00 O ATOM 515 NE2 GLN A 52 16.637 -17.901 6.118 1.00 0.00 N ATOM 0 H GLN A 52 16.644 -15.350 8.783 1.00 0.00 H new ATOM 0 HA GLN A 52 14.049 -14.977 9.767 1.00 0.00 H new ATOM 0 HB2 GLN A 52 13.413 -15.507 7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.105 -15.160 7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 52 15.033 -17.902 7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.631 -17.645 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 52 16.876 -18.379 6.987 1.00 0.00 H new ATOM 0 HE22 GLN A 52 17.277 -17.935 5.324 1.00 0.00 H new ATOM 524 N GLN A 53 15.274 -17.945 10.255 1.00 0.00 N ATOM 525 CA GLN A 53 15.052 -19.200 10.957 1.00 0.00 C ATOM 526 C GLN A 53 14.631 -18.931 12.392 1.00 0.00 C ATOM 527 O GLN A 53 13.648 -19.484 12.872 1.00 0.00 O ATOM 528 CB GLN A 53 16.316 -20.061 10.938 1.00 0.00 C ATOM 529 CG GLN A 53 16.380 -21.019 9.762 1.00 0.00 C ATOM 530 CD GLN A 53 16.620 -20.310 8.447 1.00 0.00 C ATOM 531 OE1 GLN A 53 17.248 -19.252 8.403 1.00 0.00 O ATOM 532 NE2 GLN A 53 16.117 -20.883 7.368 1.00 0.00 N ATOM 0 H GLN A 53 16.236 -17.799 9.949 1.00 0.00 H new ATOM 0 HA GLN A 53 14.255 -19.741 10.447 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.189 -19.409 10.913 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.371 -20.632 11.865 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.177 -21.743 9.931 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.447 -21.580 9.703 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.603 -21.760 7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.243 -20.448 6.454 1.00 0.00 H new ATOM 541 N GLN A 54 15.369 -18.059 13.063 1.00 0.00 N ATOM 542 CA GLN A 54 15.079 -17.716 14.449 1.00 0.00 C ATOM 543 C GLN A 54 13.786 -16.914 14.538 1.00 0.00 C ATOM 544 O GLN A 54 13.019 -17.063 15.488 1.00 0.00 O ATOM 545 CB GLN A 54 16.238 -16.920 15.054 1.00 0.00 C ATOM 546 CG GLN A 54 17.228 -17.769 15.838 1.00 0.00 C ATOM 547 CD GLN A 54 17.680 -19.004 15.080 1.00 0.00 C ATOM 548 OE1 GLN A 54 17.429 -20.133 15.503 1.00 0.00 O ATOM 549 NE2 GLN A 54 18.345 -18.801 13.953 1.00 0.00 N ATOM 0 H GLN A 54 16.176 -17.574 12.669 1.00 0.00 H new ATOM 0 HA GLN A 54 14.956 -18.639 15.016 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.770 -16.406 14.253 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.833 -16.151 15.712 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.099 -17.164 16.088 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.771 -18.074 16.779 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.533 -17.850 13.636 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.669 -19.596 13.402 1.00 0.00 H new ATOM 558 N VAL A 55 13.549 -16.071 13.538 1.00 0.00 N ATOM 559 CA VAL A 55 12.306 -15.318 13.453 1.00 0.00 C ATOM 560 C VAL A 55 11.122 -16.277 13.343 1.00 0.00 C ATOM 561 O VAL A 55 10.141 -16.155 14.079 1.00 0.00 O ATOM 562 CB VAL A 55 12.308 -14.355 12.239 1.00 0.00 C ATOM 563 CG1 VAL A 55 10.965 -13.658 12.088 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.425 -13.332 12.370 1.00 0.00 C ATOM 0 H VAL A 55 14.203 -15.893 12.776 1.00 0.00 H new ATOM 0 HA VAL A 55 12.215 -14.722 14.361 1.00 0.00 H new ATOM 0 HB VAL A 55 12.482 -14.949 11.342 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.997 -12.989 11.228 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.183 -14.403 11.939 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.751 -13.082 12.988 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.410 -12.665 11.508 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.281 -12.751 13.281 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.385 -13.846 12.415 1.00 0.00 H new ATOM 574 N ALA A 56 11.242 -17.252 12.448 1.00 0.00 N ATOM 575 CA ALA A 56 10.192 -18.240 12.242 1.00 0.00 C ATOM 576 C ALA A 56 10.079 -19.179 13.440 1.00 0.00 C ATOM 577 O ALA A 56 8.993 -19.658 13.763 1.00 0.00 O ATOM 578 CB ALA A 56 10.458 -19.030 10.970 1.00 0.00 C ATOM 0 H ALA A 56 12.060 -17.378 11.852 1.00 0.00 H new ATOM 0 HA ALA A 56 9.243 -17.713 12.138 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.667 -19.766 10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.481 -18.351 10.118 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.417 -19.541 11.053 1.00 0.00 H new ATOM 584 N TYR A 57 11.206 -19.443 14.090 1.00 0.00 N ATOM 585 CA TYR A 57 11.231 -20.271 15.292 1.00 0.00 C ATOM 586 C TYR A 57 10.447 -19.607 16.420 1.00 0.00 C ATOM 587 O TYR A 57 9.671 -20.254 17.127 1.00 0.00 O ATOM 588 CB TYR A 57 12.674 -20.508 15.747 1.00 0.00 C ATOM 589 CG TYR A 57 13.262 -21.826 15.285 1.00 0.00 C ATOM 590 CD1 TYR A 57 12.595 -23.027 15.502 1.00 0.00 C ATOM 591 CD2 TYR A 57 14.487 -21.867 14.632 1.00 0.00 C ATOM 592 CE1 TYR A 57 13.136 -24.229 15.081 1.00 0.00 C ATOM 593 CE2 TYR A 57 15.032 -23.064 14.209 1.00 0.00 C ATOM 594 CZ TYR A 57 14.353 -24.241 14.434 1.00 0.00 C ATOM 595 OH TYR A 57 14.895 -25.435 14.010 1.00 0.00 O ATOM 0 H TYR A 57 12.120 -19.094 13.803 1.00 0.00 H new ATOM 0 HA TYR A 57 10.767 -21.228 15.052 1.00 0.00 H new ATOM 0 HB2 TYR A 57 13.298 -19.695 15.377 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.711 -20.468 16.836 1.00 0.00 H new ATOM 0 HD1 TYR A 57 11.640 -23.021 16.007 1.00 0.00 H new ATOM 0 HD2 TYR A 57 15.023 -20.947 14.452 1.00 0.00 H new ATOM 0 HE1 TYR A 57 12.607 -25.154 15.259 1.00 0.00 H new ATOM 0 HE2 TYR A 57 15.987 -23.077 13.704 1.00 0.00 H new ATOM 0 HH TYR A 57 15.755 -25.266 13.572 1.00 0.00 H new ATOM 605 N ALA A 58 10.649 -18.305 16.568 1.00 0.00 N ATOM 606 CA ALA A 58 10.033 -17.553 17.646 1.00 0.00 C ATOM 607 C ALA A 58 8.559 -17.274 17.376 1.00 0.00 C ATOM 608 O ALA A 58 7.705 -17.578 18.209 1.00 0.00 O ATOM 609 CB ALA A 58 10.782 -16.249 17.866 1.00 0.00 C ATOM 0 H ALA A 58 11.239 -17.747 15.950 1.00 0.00 H new ATOM 0 HA ALA A 58 10.091 -18.162 18.548 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.312 -15.692 18.677 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.818 -16.464 18.126 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.753 -15.654 16.953 1.00 0.00 H new ATOM 615 N LEU A 59 8.260 -16.700 16.219 1.00 0.00 N ATOM 616 CA LEU A 59 6.900 -16.260 15.915 1.00 0.00 C ATOM 617 C LEU A 59 6.022 -17.408 15.431 1.00 0.00 C ATOM 618 O LEU A 59 4.794 -17.327 15.484 1.00 0.00 O ATOM 619 CB LEU A 59 6.925 -15.152 14.859 1.00 0.00 C ATOM 620 CG LEU A 59 7.864 -13.981 15.162 1.00 0.00 C ATOM 621 CD1 LEU A 59 7.863 -12.984 14.013 1.00 0.00 C ATOM 622 CD2 LEU A 59 7.464 -13.299 16.459 1.00 0.00 C ATOM 0 H LEU A 59 8.937 -16.527 15.476 1.00 0.00 H new ATOM 0 HA LEU A 59 6.470 -15.877 16.841 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.214 -15.590 13.903 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.914 -14.764 14.739 1.00 0.00 H new ATOM 0 HG LEU A 59 8.875 -14.372 15.276 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.536 -12.159 14.247 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.198 -13.479 13.102 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.854 -12.599 13.866 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.142 -12.469 16.658 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.445 -12.922 16.372 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.517 -14.016 17.278 1.00 0.00 H new ATOM 634 N GLY A 60 6.647 -18.476 14.959 1.00 0.00 N ATOM 635 CA GLY A 60 5.897 -19.587 14.414 1.00 0.00 C ATOM 636 C GLY A 60 5.559 -19.363 12.958 1.00 0.00 C ATOM 637 O GLY A 60 4.559 -19.878 12.453 1.00 0.00 O ATOM 0 H GLY A 60 7.660 -18.593 14.944 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.476 -20.505 14.518 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.979 -19.723 14.985 1.00 0.00 H new ATOM 641 N THR A 61 6.391 -18.577 12.288 1.00 0.00 N ATOM 642 CA THR A 61 6.199 -18.267 10.884 1.00 0.00 C ATOM 643 C THR A 61 6.510 -19.474 9.999 1.00 0.00 C ATOM 644 O THR A 61 7.519 -20.156 10.193 1.00 0.00 O ATOM 645 CB THR A 61 7.095 -17.087 10.471 1.00 0.00 C ATOM 646 OG1 THR A 61 7.341 -16.247 11.607 1.00 0.00 O ATOM 647 CG2 THR A 61 6.449 -16.271 9.360 1.00 0.00 C ATOM 0 H THR A 61 7.214 -18.140 12.703 1.00 0.00 H new ATOM 0 HA THR A 61 5.152 -17.998 10.747 1.00 0.00 H new ATOM 0 HB THR A 61 8.038 -17.487 10.098 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.605 -15.608 11.707 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.104 -15.444 9.088 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.286 -16.906 8.489 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.493 -15.878 9.706 1.00 0.00 H new ATOM 655 N PRO A 62 5.625 -19.767 9.036 1.00 0.00 N ATOM 656 CA PRO A 62 5.829 -20.847 8.070 1.00 0.00 C ATOM 657 C PRO A 62 6.974 -20.532 7.112 1.00 0.00 C ATOM 658 O PRO A 62 7.267 -19.361 6.850 1.00 0.00 O ATOM 659 CB PRO A 62 4.498 -20.921 7.307 1.00 0.00 C ATOM 660 CG PRO A 62 3.532 -20.111 8.108 1.00 0.00 C ATOM 661 CD PRO A 62 4.350 -19.074 8.818 1.00 0.00 C ATOM 0 HA PRO A 62 6.096 -21.785 8.556 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.602 -20.523 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.159 -21.952 7.209 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.786 -19.646 7.464 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.994 -20.737 8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.475 -18.174 8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.889 -18.767 9.757 1.00 0.00 H new ATOM 669 N LEU A 63 7.625 -21.568 6.592 1.00 0.00 N ATOM 670 CA LEU A 63 8.742 -21.372 5.676 1.00 0.00 C ATOM 671 C LEU A 63 8.240 -20.825 4.345 1.00 0.00 C ATOM 672 O LEU A 63 7.468 -21.478 3.642 1.00 0.00 O ATOM 673 CB LEU A 63 9.527 -22.673 5.453 1.00 0.00 C ATOM 674 CG LEU A 63 8.868 -23.947 5.984 1.00 0.00 C ATOM 675 CD1 LEU A 63 8.956 -25.058 4.950 1.00 0.00 C ATOM 676 CD2 LEU A 63 9.515 -24.383 7.291 1.00 0.00 C ATOM 0 H LEU A 63 7.401 -22.544 6.787 1.00 0.00 H new ATOM 0 HA LEU A 63 9.421 -20.649 6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.698 -22.793 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.505 -22.570 5.922 1.00 0.00 H new ATOM 0 HG LEU A 63 7.817 -23.735 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.483 -25.958 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.446 -24.748 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.003 -25.266 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.031 -25.291 7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.575 -24.578 7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.403 -23.593 8.034 1.00 0.00 H new ATOM 688 N MET A 64 8.670 -19.615 4.018 1.00 0.00 N ATOM 689 CA MET A 64 8.236 -18.957 2.796 1.00 0.00 C ATOM 690 C MET A 64 8.947 -19.543 1.585 1.00 0.00 C ATOM 691 O MET A 64 10.133 -19.289 1.362 1.00 0.00 O ATOM 692 CB MET A 64 8.489 -17.449 2.877 1.00 0.00 C ATOM 693 CG MET A 64 7.267 -16.602 2.541 1.00 0.00 C ATOM 694 SD MET A 64 5.949 -17.545 1.746 1.00 0.00 S ATOM 695 CE MET A 64 4.892 -17.897 3.150 1.00 0.00 C ATOM 0 H MET A 64 9.320 -19.069 4.583 1.00 0.00 H new ATOM 0 HA MET A 64 7.165 -19.126 2.684 1.00 0.00 H new ATOM 0 HB2 MET A 64 8.827 -17.200 3.883 1.00 0.00 H new ATOM 0 HB3 MET A 64 9.299 -17.189 2.195 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.882 -16.151 3.456 1.00 0.00 H new ATOM 0 HG3 MET A 64 7.568 -15.785 1.885 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.210 -18.709 2.897 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.505 -18.190 4.002 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.318 -17.006 3.405 1.00 0.00 H new ATOM 705 N SER A 65 8.221 -20.343 0.819 1.00 0.00 N ATOM 706 CA SER A 65 8.748 -20.942 -0.396 1.00 0.00 C ATOM 707 C SER A 65 8.781 -19.921 -1.532 1.00 0.00 C ATOM 708 O SER A 65 8.020 -20.015 -2.494 1.00 0.00 O ATOM 709 CB SER A 65 7.882 -22.140 -0.777 1.00 0.00 C ATOM 710 OG SER A 65 6.806 -22.287 0.141 1.00 0.00 O ATOM 0 H SER A 65 7.253 -20.594 1.022 1.00 0.00 H new ATOM 0 HA SER A 65 9.771 -21.275 -0.219 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.492 -22.008 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.488 -23.046 -0.785 1.00 0.00 H new ATOM 0 HG SER A 65 6.259 -23.058 -0.117 1.00 0.00 H new ATOM 716 N ASP A 66 9.661 -18.938 -1.409 1.00 0.00 N ATOM 717 CA ASP A 66 9.773 -17.883 -2.403 1.00 0.00 C ATOM 718 C ASP A 66 11.226 -17.722 -2.837 1.00 0.00 C ATOM 719 O ASP A 66 11.898 -16.765 -2.449 1.00 0.00 O ATOM 720 CB ASP A 66 9.239 -16.561 -1.844 1.00 0.00 C ATOM 721 CG ASP A 66 8.261 -15.880 -2.783 1.00 0.00 C ATOM 722 OD1 ASP A 66 8.357 -16.086 -4.009 1.00 0.00 O ATOM 723 OD2 ASP A 66 7.391 -15.125 -2.296 1.00 0.00 O ATOM 0 H ASP A 66 10.310 -18.850 -0.627 1.00 0.00 H new ATOM 0 HA ASP A 66 9.174 -18.159 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.749 -16.747 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.075 -15.890 -1.648 1.00 0.00 H new ATOM 728 N PRO A 67 11.727 -18.658 -3.660 1.00 0.00 N ATOM 729 CA PRO A 67 13.121 -18.661 -4.118 1.00 0.00 C ATOM 730 C PRO A 67 13.380 -17.617 -5.202 1.00 0.00 C ATOM 731 O PRO A 67 14.505 -17.466 -5.683 1.00 0.00 O ATOM 732 CB PRO A 67 13.299 -20.073 -4.673 1.00 0.00 C ATOM 733 CG PRO A 67 11.944 -20.464 -5.149 1.00 0.00 C ATOM 734 CD PRO A 67 10.963 -19.793 -4.222 1.00 0.00 C ATOM 0 HA PRO A 67 13.818 -18.410 -3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.025 -20.091 -5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.662 -20.757 -3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.786 -20.145 -6.179 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.821 -21.547 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.076 -19.452 -4.757 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.623 -20.472 -3.440 1.00 0.00 H new ATOM 742 N PHE A 68 12.325 -16.910 -5.582 1.00 0.00 N ATOM 743 CA PHE A 68 12.385 -15.929 -6.663 1.00 0.00 C ATOM 744 C PHE A 68 13.248 -14.721 -6.286 1.00 0.00 C ATOM 745 O PHE A 68 13.669 -13.951 -7.149 1.00 0.00 O ATOM 746 CB PHE A 68 10.965 -15.471 -7.021 1.00 0.00 C ATOM 747 CG PHE A 68 10.907 -14.485 -8.157 1.00 0.00 C ATOM 748 CD1 PHE A 68 11.330 -14.844 -9.428 1.00 0.00 C ATOM 749 CD2 PHE A 68 10.434 -13.198 -7.953 1.00 0.00 C ATOM 750 CE1 PHE A 68 11.281 -13.939 -10.469 1.00 0.00 C ATOM 751 CE2 PHE A 68 10.384 -12.289 -8.992 1.00 0.00 C ATOM 752 CZ PHE A 68 10.808 -12.661 -10.251 1.00 0.00 C ATOM 0 H PHE A 68 11.404 -16.998 -5.152 1.00 0.00 H new ATOM 0 HA PHE A 68 12.848 -16.406 -7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.367 -16.345 -7.281 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.506 -15.022 -6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.702 -15.842 -9.605 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.100 -12.902 -6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.613 -14.231 -11.454 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.014 -11.289 -8.819 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.770 -11.953 -11.065 1.00 0.00 H new ATOM 762 N GLY A 69 13.537 -14.574 -5.004 1.00 0.00 N ATOM 763 CA GLY A 69 14.270 -13.420 -4.542 1.00 0.00 C ATOM 764 C GLY A 69 13.363 -12.495 -3.784 1.00 0.00 C ATOM 765 O GLY A 69 13.672 -11.317 -3.577 1.00 0.00 O ATOM 0 H GLY A 69 13.275 -15.237 -4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.094 -13.736 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.708 -12.895 -5.391 1.00 0.00 H new ATOM 769 N THR A 70 12.219 -13.033 -3.393 1.00 0.00 N ATOM 770 CA THR A 70 11.283 -12.310 -2.575 1.00 0.00 C ATOM 771 C THR A 70 11.521 -12.635 -1.105 1.00 0.00 C ATOM 772 O THR A 70 10.845 -13.488 -0.525 1.00 0.00 O ATOM 773 CB THR A 70 9.837 -12.676 -2.958 1.00 0.00 C ATOM 774 OG1 THR A 70 9.844 -13.541 -4.108 1.00 0.00 O ATOM 775 CG2 THR A 70 9.019 -11.428 -3.256 1.00 0.00 C ATOM 0 H THR A 70 11.922 -13.978 -3.637 1.00 0.00 H new ATOM 0 HA THR A 70 11.431 -11.243 -2.739 1.00 0.00 H new ATOM 0 HB THR A 70 9.378 -13.192 -2.115 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.924 -13.786 -4.338 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.002 -11.715 -3.524 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.995 -10.789 -2.373 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.473 -10.885 -4.085 1.00 0.00 H new ATOM 783 N ASN A 71 12.474 -11.935 -0.500 1.00 0.00 N ATOM 784 CA ASN A 71 12.850 -12.199 0.882 1.00 0.00 C ATOM 785 C ASN A 71 12.319 -11.099 1.788 1.00 0.00 C ATOM 786 O ASN A 71 13.050 -10.508 2.586 1.00 0.00 O ATOM 787 CB ASN A 71 14.373 -12.338 1.038 1.00 0.00 C ATOM 788 CG ASN A 71 15.153 -11.873 -0.176 1.00 0.00 C ATOM 789 OD1 ASN A 71 15.230 -12.564 -1.191 1.00 0.00 O ATOM 790 ND2 ASN A 71 15.752 -10.701 -0.071 1.00 0.00 N ATOM 0 H ASN A 71 12.999 -11.182 -0.945 1.00 0.00 H new ATOM 0 HA ASN A 71 12.403 -13.149 1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.694 -11.765 1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.616 -13.382 1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.303 -10.338 -0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.664 -10.158 0.788 1.00 0.00 H new ATOM 797 N THR A 72 11.036 -10.826 1.639 1.00 0.00 N ATOM 798 CA THR A 72 10.356 -9.864 2.477 1.00 0.00 C ATOM 799 C THR A 72 9.168 -10.520 3.162 1.00 0.00 C ATOM 800 O THR A 72 8.340 -11.160 2.513 1.00 0.00 O ATOM 801 CB THR A 72 9.868 -8.654 1.665 1.00 0.00 C ATOM 802 OG1 THR A 72 10.357 -8.734 0.319 1.00 0.00 O ATOM 803 CG2 THR A 72 10.342 -7.360 2.299 1.00 0.00 C ATOM 0 H THR A 72 10.441 -11.264 0.936 1.00 0.00 H new ATOM 0 HA THR A 72 11.069 -9.513 3.223 1.00 0.00 H new ATOM 0 HB THR A 72 8.778 -8.665 1.656 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.039 -7.960 -0.191 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.987 -6.515 1.710 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.949 -7.286 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.431 -7.348 2.330 1.00 0.00 H new ATOM 811 N TRP A 73 9.089 -10.368 4.470 1.00 0.00 N ATOM 812 CA TRP A 73 8.023 -10.972 5.244 1.00 0.00 C ATOM 813 C TRP A 73 6.995 -9.917 5.618 1.00 0.00 C ATOM 814 O TRP A 73 7.329 -8.903 6.231 1.00 0.00 O ATOM 815 CB TRP A 73 8.601 -11.634 6.496 1.00 0.00 C ATOM 816 CG TRP A 73 8.498 -13.132 6.473 1.00 0.00 C ATOM 817 CD1 TRP A 73 7.597 -13.883 5.771 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.328 -14.062 7.181 1.00 0.00 C ATOM 819 NE1 TRP A 73 7.821 -15.221 5.995 1.00 0.00 N ATOM 820 CE2 TRP A 73 8.877 -15.356 6.858 1.00 0.00 C ATOM 821 CE3 TRP A 73 10.408 -13.924 8.056 1.00 0.00 C ATOM 822 CZ2 TRP A 73 9.471 -16.504 7.378 1.00 0.00 C ATOM 823 CZ3 TRP A 73 10.995 -15.064 8.572 1.00 0.00 C ATOM 824 CH2 TRP A 73 10.527 -16.339 8.232 1.00 0.00 C ATOM 0 H TRP A 73 9.755 -9.827 5.021 1.00 0.00 H new ATOM 0 HA TRP A 73 7.530 -11.738 4.645 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.648 -11.350 6.599 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.079 -11.254 7.374 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.822 -13.484 5.133 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.288 -15.988 5.586 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.777 -12.945 8.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 9.111 -17.488 7.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.830 -14.969 9.250 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.009 -17.209 8.652 1.00 0.00 H new ATOM 835 N PHE A 74 5.753 -10.147 5.228 1.00 0.00 N ATOM 836 CA PHE A 74 4.690 -9.184 5.464 1.00 0.00 C ATOM 837 C PHE A 74 3.766 -9.665 6.573 1.00 0.00 C ATOM 838 O PHE A 74 3.180 -10.747 6.486 1.00 0.00 O ATOM 839 CB PHE A 74 3.892 -8.943 4.178 1.00 0.00 C ATOM 840 CG PHE A 74 4.623 -8.110 3.163 1.00 0.00 C ATOM 841 CD1 PHE A 74 4.605 -6.727 3.242 1.00 0.00 C ATOM 842 CD2 PHE A 74 5.328 -8.710 2.132 1.00 0.00 C ATOM 843 CE1 PHE A 74 5.278 -5.958 2.312 1.00 0.00 C ATOM 844 CE2 PHE A 74 6.001 -7.946 1.198 1.00 0.00 C ATOM 845 CZ PHE A 74 5.976 -6.569 1.288 1.00 0.00 C ATOM 0 H PHE A 74 5.455 -10.995 4.745 1.00 0.00 H new ATOM 0 HA PHE A 74 5.144 -8.244 5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.639 -9.905 3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.952 -8.451 4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.059 -6.245 4.039 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.352 -9.787 2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.258 -4.881 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.546 -8.426 0.398 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.501 -5.970 0.559 1.00 0.00 H new ATOM 855 N TYR A 75 3.646 -8.863 7.618 1.00 0.00 N ATOM 856 CA TYR A 75 2.786 -9.206 8.740 1.00 0.00 C ATOM 857 C TYR A 75 1.662 -8.188 8.877 1.00 0.00 C ATOM 858 O TYR A 75 1.881 -6.984 8.731 1.00 0.00 O ATOM 859 CB TYR A 75 3.593 -9.272 10.038 1.00 0.00 C ATOM 860 CG TYR A 75 3.979 -10.679 10.448 1.00 0.00 C ATOM 861 CD1 TYR A 75 3.024 -11.684 10.537 1.00 0.00 C ATOM 862 CD2 TYR A 75 5.299 -11.002 10.748 1.00 0.00 C ATOM 863 CE1 TYR A 75 3.371 -12.967 10.915 1.00 0.00 C ATOM 864 CE2 TYR A 75 5.651 -12.286 11.126 1.00 0.00 C ATOM 865 CZ TYR A 75 4.683 -13.262 11.208 1.00 0.00 C ATOM 866 OH TYR A 75 5.027 -14.538 11.595 1.00 0.00 O ATOM 0 H TYR A 75 4.132 -7.971 7.713 1.00 0.00 H new ATOM 0 HA TYR A 75 2.352 -10.188 8.549 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.498 -8.676 9.923 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.012 -8.817 10.840 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.993 -11.459 10.307 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.061 -10.239 10.685 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.615 -13.736 10.980 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.680 -12.521 11.356 1.00 0.00 H new ATOM 0 HH TYR A 75 4.294 -15.153 11.384 1.00 0.00 H new ATOM 876 N VAL A 76 0.461 -8.679 9.140 1.00 0.00 N ATOM 877 CA VAL A 76 -0.698 -7.814 9.298 1.00 0.00 C ATOM 878 C VAL A 76 -1.118 -7.752 10.760 1.00 0.00 C ATOM 879 O VAL A 76 -1.470 -8.772 11.361 1.00 0.00 O ATOM 880 CB VAL A 76 -1.894 -8.295 8.445 1.00 0.00 C ATOM 881 CG1 VAL A 76 -3.048 -7.306 8.528 1.00 0.00 C ATOM 882 CG2 VAL A 76 -1.476 -8.504 6.996 1.00 0.00 C ATOM 0 H VAL A 76 0.263 -9.674 9.249 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.408 -6.821 8.954 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.231 -9.251 8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.879 -7.664 7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.371 -7.210 9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.721 -6.334 8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.334 -8.842 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.107 -7.564 6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.687 -9.255 6.950 1.00 0.00 H new ATOM 892 N PHE A 77 -1.067 -6.557 11.325 1.00 0.00 N ATOM 893 CA PHE A 77 -1.451 -6.344 12.711 1.00 0.00 C ATOM 894 C PHE A 77 -2.635 -5.395 12.779 1.00 0.00 C ATOM 895 O PHE A 77 -2.934 -4.697 11.811 1.00 0.00 O ATOM 896 CB PHE A 77 -0.278 -5.780 13.512 1.00 0.00 C ATOM 897 CG PHE A 77 0.941 -6.654 13.477 1.00 0.00 C ATOM 898 CD1 PHE A 77 0.937 -7.895 14.090 1.00 0.00 C ATOM 899 CD2 PHE A 77 2.093 -6.234 12.833 1.00 0.00 C ATOM 900 CE1 PHE A 77 2.057 -8.700 14.061 1.00 0.00 C ATOM 901 CE2 PHE A 77 3.214 -7.037 12.804 1.00 0.00 C ATOM 902 CZ PHE A 77 3.196 -8.271 13.420 1.00 0.00 C ATOM 0 H PHE A 77 -0.761 -5.713 10.841 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.736 -7.302 13.146 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.021 -4.795 13.122 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.588 -5.642 14.548 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.047 -8.237 14.597 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.114 -5.269 12.349 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.040 -9.667 14.542 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.107 -6.699 12.299 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.074 -8.899 13.399 1.00 0.00 H new ATOM 912 N ARG A 78 -3.310 -5.370 13.918 1.00 0.00 N ATOM 913 CA ARG A 78 -4.471 -4.514 14.085 1.00 0.00 C ATOM 914 C ARG A 78 -4.273 -3.578 15.272 1.00 0.00 C ATOM 915 O ARG A 78 -4.387 -3.985 16.433 1.00 0.00 O ATOM 916 CB ARG A 78 -5.737 -5.356 14.273 1.00 0.00 C ATOM 917 CG ARG A 78 -6.210 -6.040 12.995 1.00 0.00 C ATOM 918 CD ARG A 78 -7.726 -6.183 12.956 1.00 0.00 C ATOM 919 NE ARG A 78 -8.404 -4.910 13.180 1.00 0.00 N ATOM 920 CZ ARG A 78 -8.608 -3.993 12.234 1.00 0.00 C ATOM 921 NH1 ARG A 78 -8.261 -4.235 10.976 1.00 0.00 N ATOM 922 NH2 ARG A 78 -9.175 -2.837 12.542 1.00 0.00 N ATOM 0 H ARG A 78 -3.074 -5.931 14.737 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.589 -3.912 13.184 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.549 -6.114 15.033 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.536 -4.717 14.650 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.877 -5.465 12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.750 -7.025 12.919 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.027 -6.588 11.990 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.042 -6.900 13.714 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.744 -4.709 14.121 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.835 -5.128 10.727 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.420 -3.528 10.258 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.456 -2.647 13.504 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.331 -2.136 11.817 1.00 0.00 H new ATOM 936 N GLN A 79 -3.969 -2.327 14.968 1.00 0.00 N ATOM 937 CA GLN A 79 -3.777 -1.303 15.983 1.00 0.00 C ATOM 938 C GLN A 79 -4.049 0.066 15.379 1.00 0.00 C ATOM 939 O GLN A 79 -4.129 0.191 14.156 1.00 0.00 O ATOM 940 CB GLN A 79 -2.355 -1.377 16.574 1.00 0.00 C ATOM 941 CG GLN A 79 -1.288 -0.591 15.812 1.00 0.00 C ATOM 942 CD GLN A 79 0.111 -0.824 16.364 1.00 0.00 C ATOM 943 OE1 GLN A 79 0.207 -1.596 17.438 1.00 0.00 O flip ATOM 944 NE2 GLN A 79 1.095 -0.311 15.831 1.00 0.00 N flip ATOM 0 H GLN A 79 -3.848 -1.992 14.012 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.479 -1.473 16.800 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.387 -1.013 17.601 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.051 -2.423 16.616 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.313 -0.876 14.760 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.522 0.473 15.859 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.979 0.277 15.006 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.026 -0.474 16.215 1.00 0.00 H new ATOM 953 N GLN A 80 -4.220 1.068 16.238 1.00 0.00 N ATOM 954 CA GLN A 80 -4.418 2.449 15.803 1.00 0.00 C ATOM 955 C GLN A 80 -5.594 2.564 14.830 1.00 0.00 C ATOM 956 O GLN A 80 -5.408 2.735 13.622 1.00 0.00 O ATOM 957 CB GLN A 80 -3.131 2.979 15.166 1.00 0.00 C ATOM 958 CG GLN A 80 -3.160 4.460 14.842 1.00 0.00 C ATOM 959 CD GLN A 80 -2.321 4.798 13.625 1.00 0.00 C ATOM 960 OE1 GLN A 80 -1.612 3.946 13.082 1.00 0.00 O ATOM 961 NE2 GLN A 80 -2.395 6.041 13.187 1.00 0.00 N ATOM 0 H GLN A 80 -4.225 0.947 17.251 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.659 3.055 16.676 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.298 2.783 15.841 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -2.937 2.422 14.249 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.190 4.772 14.669 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.796 5.025 15.700 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.993 6.715 13.664 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.854 6.327 12.371 1.00 0.00 H new ATOM 970 N PRO A 81 -6.829 2.468 15.343 1.00 0.00 N ATOM 971 CA PRO A 81 -8.029 2.589 14.518 1.00 0.00 C ATOM 972 C PRO A 81 -8.294 4.043 14.131 1.00 0.00 C ATOM 973 O PRO A 81 -9.030 4.756 14.817 1.00 0.00 O ATOM 974 CB PRO A 81 -9.138 2.048 15.425 1.00 0.00 C ATOM 975 CG PRO A 81 -8.658 2.309 16.813 1.00 0.00 C ATOM 976 CD PRO A 81 -7.154 2.249 16.768 1.00 0.00 C ATOM 0 HA PRO A 81 -7.949 2.050 13.574 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.086 2.551 15.233 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.302 0.984 15.257 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.996 3.284 17.163 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.055 1.567 17.506 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.705 3.014 17.402 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.782 1.286 17.119 1.00 0.00 H new ATOM 984 N GLY A 82 -7.669 4.479 13.042 1.00 0.00 N ATOM 985 CA GLY A 82 -7.763 5.867 12.623 1.00 0.00 C ATOM 986 C GLY A 82 -9.126 6.248 12.076 1.00 0.00 C ATOM 987 O GLY A 82 -10.080 6.434 12.830 1.00 0.00 O ATOM 0 H GLY A 82 -7.095 3.891 12.438 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.529 6.510 13.471 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.009 6.059 11.860 1.00 0.00 H new ATOM 991 N HIS A 83 -9.220 6.379 10.764 1.00 0.00 N ATOM 992 CA HIS A 83 -10.456 6.820 10.137 1.00 0.00 C ATOM 993 C HIS A 83 -10.801 5.954 8.936 1.00 0.00 C ATOM 994 O HIS A 83 -9.922 5.309 8.357 1.00 0.00 O ATOM 995 CB HIS A 83 -10.330 8.279 9.697 1.00 0.00 C ATOM 996 CG HIS A 83 -11.487 9.131 10.107 1.00 0.00 C ATOM 997 ND1 HIS A 83 -12.475 9.530 9.233 1.00 0.00 N ATOM 998 CD2 HIS A 83 -11.812 9.661 11.307 1.00 0.00 C ATOM 999 CE1 HIS A 83 -13.357 10.269 9.879 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -12.977 10.363 11.139 1.00 0.00 N ATOM 0 H HIS A 83 -8.458 6.187 10.113 1.00 0.00 H new ATOM 0 HA HIS A 83 -11.257 6.728 10.871 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.415 8.698 10.116 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -10.230 8.315 8.612 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -12.518 9.292 8.242 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.257 9.552 12.227 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.239 10.720 9.450 1.00 0.00 H new ATOM 1009 N GLU A 84 -12.095 5.923 8.601 1.00 0.00 N ATOM 1010 CA GLU A 84 -12.610 5.261 7.398 1.00 0.00 C ATOM 1011 C GLU A 84 -12.660 3.743 7.563 1.00 0.00 C ATOM 1012 O GLU A 84 -13.656 3.105 7.219 1.00 0.00 O ATOM 1013 CB GLU A 84 -11.788 5.638 6.159 1.00 0.00 C ATOM 1014 CG GLU A 84 -12.310 6.873 5.441 1.00 0.00 C ATOM 1015 CD GLU A 84 -12.204 8.127 6.284 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -11.074 8.590 6.529 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -13.252 8.655 6.711 1.00 0.00 O ATOM 0 H GLU A 84 -12.823 6.362 9.165 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.631 5.615 7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.754 5.810 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.784 4.798 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.751 7.014 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.352 6.714 5.163 1.00 0.00 H new ATOM 1024 N GLY A 85 -11.593 3.168 8.088 1.00 0.00 N ATOM 1025 CA GLY A 85 -11.557 1.740 8.319 1.00 0.00 C ATOM 1026 C GLY A 85 -10.584 1.042 7.397 1.00 0.00 C ATOM 1027 O GLY A 85 -9.907 0.097 7.801 1.00 0.00 O ATOM 0 H GLY A 85 -10.746 3.667 8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.277 1.547 9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.554 1.324 8.176 1.00 0.00 H new ATOM 1031 N VAL A 86 -10.492 1.516 6.159 1.00 0.00 N ATOM 1032 CA VAL A 86 -9.543 0.949 5.220 1.00 0.00 C ATOM 1033 C VAL A 86 -8.175 1.614 5.413 1.00 0.00 C ATOM 1034 O VAL A 86 -7.827 2.612 4.772 1.00 0.00 O ATOM 1035 CB VAL A 86 -10.036 1.082 3.753 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -10.446 2.512 3.428 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -8.982 0.579 2.773 1.00 0.00 C ATOM 0 H VAL A 86 -11.057 2.281 5.790 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.450 -0.118 5.421 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.921 0.455 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -10.785 2.567 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.254 2.819 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.592 3.175 3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.354 0.684 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.069 1.164 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.769 -0.471 2.975 1.00 0.00 H new ATOM 1047 N THR A 87 -7.434 1.068 6.362 1.00 0.00 N ATOM 1048 CA THR A 87 -6.099 1.527 6.683 1.00 0.00 C ATOM 1049 C THR A 87 -5.517 0.595 7.743 1.00 0.00 C ATOM 1050 O THR A 87 -6.239 0.171 8.647 1.00 0.00 O ATOM 1051 CB THR A 87 -6.122 3.008 7.156 1.00 0.00 C ATOM 1052 OG1 THR A 87 -5.092 3.752 6.492 1.00 0.00 O ATOM 1053 CG2 THR A 87 -5.965 3.152 8.664 1.00 0.00 C ATOM 0 H THR A 87 -7.748 0.285 6.936 1.00 0.00 H new ATOM 0 HA THR A 87 -5.465 1.498 5.797 1.00 0.00 H new ATOM 0 HB THR A 87 -7.103 3.406 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.338 3.884 7.104 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.989 4.208 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.780 2.631 9.166 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.013 2.720 8.974 1.00 0.00 H new ATOM 1061 N GLN A 88 -4.244 0.240 7.617 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.616 -0.661 8.578 1.00 0.00 C ATOM 1063 C GLN A 88 -2.100 -0.559 8.514 1.00 0.00 C ATOM 1064 O GLN A 88 -1.547 0.054 7.602 1.00 0.00 O ATOM 1065 CB GLN A 88 -4.045 -2.107 8.332 1.00 0.00 C ATOM 1066 CG GLN A 88 -4.319 -2.885 9.614 1.00 0.00 C ATOM 1067 CD GLN A 88 -5.239 -2.144 10.563 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -6.452 -2.124 10.375 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -4.672 -1.532 11.592 1.00 0.00 N ATOM 0 H GLN A 88 -3.631 0.558 6.867 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.946 -0.359 9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.943 -2.111 7.714 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.266 -2.618 7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.763 -3.848 9.362 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.375 -3.092 10.117 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.660 -1.571 11.714 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.247 -1.021 12.262 1.00 0.00 H new ATOM 1078 N GLN A 89 -1.442 -1.161 9.496 1.00 0.00 N ATOM 1079 CA GLN A 89 0.007 -1.129 9.581 1.00 0.00 C ATOM 1080 C GLN A 89 0.608 -2.225 8.719 1.00 0.00 C ATOM 1081 O GLN A 89 0.286 -3.403 8.883 1.00 0.00 O ATOM 1082 CB GLN A 89 0.467 -1.322 11.029 1.00 0.00 C ATOM 1083 CG GLN A 89 0.104 -0.173 11.950 1.00 0.00 C ATOM 1084 CD GLN A 89 -1.339 -0.224 12.405 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -2.000 -1.263 12.322 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -1.839 0.898 12.891 1.00 0.00 N ATOM 0 H GLN A 89 -1.895 -1.680 10.248 1.00 0.00 H new ATOM 0 HA GLN A 89 0.345 -0.156 9.224 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.028 -2.240 11.420 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.549 -1.456 11.041 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.757 -0.192 12.823 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.286 0.771 11.436 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.258 1.735 12.942 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.806 0.927 13.215 1.00 0.00 H new ATOM 1095 N THR A 90 1.480 -1.840 7.809 1.00 0.00 N ATOM 1096 CA THR A 90 2.160 -2.797 6.965 1.00 0.00 C ATOM 1097 C THR A 90 3.525 -3.141 7.540 1.00 0.00 C ATOM 1098 O THR A 90 4.463 -2.347 7.467 1.00 0.00 O ATOM 1099 CB THR A 90 2.322 -2.249 5.538 1.00 0.00 C ATOM 1100 OG1 THR A 90 1.830 -0.900 5.476 1.00 0.00 O ATOM 1101 CG2 THR A 90 1.567 -3.119 4.544 1.00 0.00 C ATOM 0 H THR A 90 1.734 -0.867 7.636 1.00 0.00 H new ATOM 0 HA THR A 90 1.552 -3.701 6.927 1.00 0.00 H new ATOM 0 HB THR A 90 3.380 -2.261 5.278 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.937 -0.554 4.565 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.693 -2.716 3.539 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.959 -4.136 4.579 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.508 -3.129 4.801 1.00 0.00 H new ATOM 1109 N LEU A 91 3.633 -4.320 8.128 1.00 0.00 N ATOM 1110 CA LEU A 91 4.895 -4.764 8.683 1.00 0.00 C ATOM 1111 C LEU A 91 5.735 -5.397 7.591 1.00 0.00 C ATOM 1112 O LEU A 91 5.468 -6.519 7.157 1.00 0.00 O ATOM 1113 CB LEU A 91 4.657 -5.760 9.821 1.00 0.00 C ATOM 1114 CG LEU A 91 5.812 -5.939 10.817 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.725 -7.082 10.391 1.00 0.00 C ATOM 1116 CD2 LEU A 91 6.609 -4.651 10.977 1.00 0.00 C ATOM 0 H LEU A 91 2.865 -4.983 8.232 1.00 0.00 H new ATOM 0 HA LEU A 91 5.428 -3.905 9.089 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.773 -5.443 10.375 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.428 -6.732 9.384 1.00 0.00 H new ATOM 0 HG LEU A 91 5.377 -6.188 11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.535 -7.189 11.112 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.152 -8.009 10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.141 -6.868 9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.419 -4.811 11.688 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.025 -4.358 10.013 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.954 -3.861 11.344 1.00 0.00 H new ATOM 1128 N THR A 92 6.740 -4.662 7.144 1.00 0.00 N ATOM 1129 CA THR A 92 7.624 -5.140 6.096 1.00 0.00 C ATOM 1130 C THR A 92 8.954 -5.599 6.685 1.00 0.00 C ATOM 1131 O THR A 92 9.802 -4.790 7.063 1.00 0.00 O ATOM 1132 CB THR A 92 7.875 -4.039 5.046 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.660 -3.315 4.798 1.00 0.00 O ATOM 1134 CG2 THR A 92 8.391 -4.633 3.744 1.00 0.00 C ATOM 0 H THR A 92 6.964 -3.730 7.492 1.00 0.00 H new ATOM 0 HA THR A 92 7.139 -5.986 5.609 1.00 0.00 H new ATOM 0 HB THR A 92 8.632 -3.360 5.439 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.826 -2.616 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.559 -3.835 3.021 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.328 -5.158 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.656 -5.333 3.347 1.00 0.00 H new ATOM 1142 N LEU A 93 9.126 -6.899 6.768 1.00 0.00 N ATOM 1143 CA LEU A 93 10.348 -7.474 7.293 1.00 0.00 C ATOM 1144 C LEU A 93 11.295 -7.784 6.147 1.00 0.00 C ATOM 1145 O LEU A 93 10.967 -8.575 5.267 1.00 0.00 O ATOM 1146 CB LEU A 93 10.020 -8.742 8.071 1.00 0.00 C ATOM 1147 CG LEU A 93 11.021 -9.129 9.151 1.00 0.00 C ATOM 1148 CD1 LEU A 93 10.622 -8.525 10.487 1.00 0.00 C ATOM 1149 CD2 LEU A 93 11.124 -10.642 9.263 1.00 0.00 C ATOM 0 H LEU A 93 8.430 -7.585 6.476 1.00 0.00 H new ATOM 0 HA LEU A 93 10.831 -6.765 7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.041 -8.619 8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.937 -9.568 7.365 1.00 0.00 H new ATOM 0 HG LEU A 93 11.998 -8.735 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.348 -8.812 11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.596 -7.439 10.402 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.635 -8.891 10.771 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.844 -10.901 10.039 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.149 -11.055 9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.454 -11.056 8.310 1.00 0.00 H new ATOM 1161 N THR A 94 12.468 -7.172 6.155 1.00 0.00 N ATOM 1162 CA THR A 94 13.365 -7.265 5.022 1.00 0.00 C ATOM 1163 C THR A 94 14.663 -7.928 5.423 1.00 0.00 C ATOM 1164 O THR A 94 15.397 -7.412 6.261 1.00 0.00 O ATOM 1165 CB THR A 94 13.658 -5.875 4.424 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.537 -5.003 4.640 1.00 0.00 O ATOM 1167 CG2 THR A 94 13.943 -5.977 2.935 1.00 0.00 C ATOM 0 H THR A 94 12.817 -6.609 6.931 1.00 0.00 H new ATOM 0 HA THR A 94 12.871 -7.872 4.263 1.00 0.00 H new ATOM 0 HB THR A 94 14.539 -5.468 4.921 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.859 -4.100 4.845 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.147 -4.984 2.535 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.809 -6.618 2.773 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.077 -6.402 2.427 1.00 0.00 H new ATOM 1175 N PHE A 95 14.928 -9.085 4.844 1.00 0.00 N ATOM 1176 CA PHE A 95 16.148 -9.807 5.125 1.00 0.00 C ATOM 1177 C PHE A 95 16.905 -10.066 3.838 1.00 0.00 C ATOM 1178 O PHE A 95 16.303 -10.307 2.793 1.00 0.00 O ATOM 1179 CB PHE A 95 15.874 -11.131 5.860 1.00 0.00 C ATOM 1180 CG PHE A 95 14.614 -11.848 5.459 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.376 -11.429 5.923 1.00 0.00 C ATOM 1182 CD2 PHE A 95 14.672 -12.958 4.632 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.224 -12.097 5.563 1.00 0.00 C ATOM 1184 CE2 PHE A 95 13.523 -13.633 4.273 1.00 0.00 C ATOM 1185 CZ PHE A 95 12.296 -13.202 4.738 1.00 0.00 C ATOM 0 H PHE A 95 14.310 -9.543 4.174 1.00 0.00 H new ATOM 0 HA PHE A 95 16.757 -9.188 5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.719 -11.799 5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.831 -10.930 6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.313 -10.569 6.574 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.628 -13.299 4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.266 -11.756 5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 95 13.583 -14.498 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 95 11.395 -13.728 4.457 1.00 0.00 H new ATOM 1195 N ASN A 96 18.222 -9.987 3.912 1.00 0.00 N ATOM 1196 CA ASN A 96 19.057 -10.284 2.766 1.00 0.00 C ATOM 1197 C ASN A 96 19.167 -11.797 2.610 1.00 0.00 C ATOM 1198 O ASN A 96 18.859 -12.533 3.550 1.00 0.00 O ATOM 1199 CB ASN A 96 20.435 -9.610 2.914 1.00 0.00 C ATOM 1200 CG ASN A 96 21.541 -10.545 3.375 1.00 0.00 C ATOM 1201 OD1 ASN A 96 22.140 -11.259 2.571 1.00 0.00 O ATOM 1202 ND2 ASN A 96 21.830 -10.533 4.667 1.00 0.00 N ATOM 0 H ASN A 96 18.734 -9.720 4.753 1.00 0.00 H new ATOM 0 HA ASN A 96 18.607 -9.880 1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 96 20.719 -9.175 1.956 1.00 0.00 H new ATOM 0 HB3 ASN A 96 20.350 -8.788 3.625 1.00 0.00 H new ATOM 0 HD21 ASN A 96 22.573 -11.130 5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 96 21.309 -9.926 5.300 1.00 0.00 H new ATOM 1209 N SER A 97 19.618 -12.239 1.437 1.00 0.00 N ATOM 1210 CA SER A 97 19.585 -13.649 1.033 1.00 0.00 C ATOM 1211 C SER A 97 20.198 -14.612 2.060 1.00 0.00 C ATOM 1212 O SER A 97 19.885 -15.801 2.055 1.00 0.00 O ATOM 1213 CB SER A 97 20.301 -13.792 -0.306 1.00 0.00 C ATOM 1214 OG SER A 97 20.505 -12.515 -0.898 1.00 0.00 O ATOM 0 H SER A 97 20.022 -11.624 0.731 1.00 0.00 H new ATOM 0 HA SER A 97 18.535 -13.932 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 97 21.260 -14.290 -0.162 1.00 0.00 H new ATOM 0 HB3 SER A 97 19.713 -14.420 -0.975 1.00 0.00 H new ATOM 0 HG SER A 97 21.336 -12.124 -0.555 1.00 0.00 H new ATOM 1220 N SER A 98 21.065 -14.117 2.934 1.00 0.00 N ATOM 1221 CA SER A 98 21.643 -14.956 3.982 1.00 0.00 C ATOM 1222 C SER A 98 20.618 -15.259 5.079 1.00 0.00 C ATOM 1223 O SER A 98 20.881 -16.043 5.989 1.00 0.00 O ATOM 1224 CB SER A 98 22.863 -14.272 4.589 1.00 0.00 C ATOM 1225 OG SER A 98 23.537 -13.496 3.616 1.00 0.00 O ATOM 0 H SER A 98 21.383 -13.148 2.941 1.00 0.00 H new ATOM 0 HA SER A 98 21.946 -15.899 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.554 -13.636 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.541 -15.022 4.997 1.00 0.00 H new ATOM 0 HG SER A 98 23.032 -12.673 3.446 1.00 0.00 H new ATOM 1231 N GLY A 99 19.456 -14.633 4.984 1.00 0.00 N ATOM 1232 CA GLY A 99 18.403 -14.851 5.953 1.00 0.00 C ATOM 1233 C GLY A 99 18.512 -13.922 7.143 1.00 0.00 C ATOM 1234 O GLY A 99 17.970 -14.206 8.202 1.00 0.00 O ATOM 0 H GLY A 99 19.222 -13.971 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.435 -14.709 5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.439 -15.884 6.298 1.00 0.00 H new ATOM 1238 N VAL A 100 19.208 -12.812 6.967 1.00 0.00 N ATOM 1239 CA VAL A 100 19.448 -11.865 8.038 1.00 0.00 C ATOM 1240 C VAL A 100 18.700 -10.570 7.753 1.00 0.00 C ATOM 1241 O VAL A 100 18.913 -9.950 6.709 1.00 0.00 O ATOM 1242 CB VAL A 100 20.963 -11.583 8.181 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.227 -10.330 9.000 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.668 -12.782 8.795 1.00 0.00 C ATOM 0 H VAL A 100 19.623 -12.543 6.075 1.00 0.00 H new ATOM 0 HA VAL A 100 19.086 -12.291 8.974 1.00 0.00 H new ATOM 0 HB VAL A 100 21.364 -11.411 7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.302 -10.166 9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.763 -9.472 8.513 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.805 -10.452 9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.733 -12.569 8.889 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.250 -12.984 9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.528 -13.653 8.155 1.00 0.00 H new ATOM 1254 N LEU A 101 17.801 -10.190 8.661 1.00 0.00 N ATOM 1255 CA LEU A 101 17.009 -8.965 8.505 1.00 0.00 C ATOM 1256 C LEU A 101 17.923 -7.764 8.312 1.00 0.00 C ATOM 1257 O LEU A 101 18.621 -7.353 9.235 1.00 0.00 O ATOM 1258 CB LEU A 101 16.117 -8.718 9.731 1.00 0.00 C ATOM 1259 CG LEU A 101 15.394 -9.942 10.305 1.00 0.00 C ATOM 1260 CD1 LEU A 101 14.349 -9.513 11.322 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.745 -10.764 9.205 1.00 0.00 C ATOM 0 H LEU A 101 17.601 -10.712 9.514 1.00 0.00 H new ATOM 0 HA LEU A 101 16.377 -9.095 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.732 -8.284 10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.368 -7.973 9.464 1.00 0.00 H new ATOM 0 HG LEU A 101 16.137 -10.566 10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.845 -10.394 11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.833 -8.974 12.136 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.618 -8.863 10.841 1.00 0.00 H new ATOM 0 HD21 LEU A 101 14.240 -11.625 9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.019 -10.150 8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.510 -11.108 8.508 1.00 0.00 H new ATOM 1273 N THR A 102 17.924 -7.209 7.116 1.00 0.00 N ATOM 1274 CA THR A 102 18.717 -6.035 6.841 1.00 0.00 C ATOM 1275 C THR A 102 18.034 -4.811 7.436 1.00 0.00 C ATOM 1276 O THR A 102 18.690 -3.867 7.876 1.00 0.00 O ATOM 1277 CB THR A 102 18.913 -5.853 5.328 1.00 0.00 C ATOM 1278 OG1 THR A 102 17.867 -6.535 4.624 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.259 -6.401 4.885 1.00 0.00 C ATOM 0 H THR A 102 17.384 -7.554 6.322 1.00 0.00 H new ATOM 0 HA THR A 102 19.700 -6.158 7.296 1.00 0.00 H new ATOM 0 HB THR A 102 18.881 -4.787 5.102 1.00 0.00 H new ATOM 0 HG1 THR A 102 17.991 -6.417 3.659 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.373 -6.260 3.810 1.00 0.00 H new ATOM 0 HG22 THR A 102 21.057 -5.873 5.407 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.314 -7.464 5.119 1.00 0.00 H new ATOM 1287 N ASN A 103 16.705 -4.850 7.462 1.00 0.00 N ATOM 1288 CA ASN A 103 15.919 -3.792 8.075 1.00 0.00 C ATOM 1289 C ASN A 103 14.482 -4.241 8.276 1.00 0.00 C ATOM 1290 O ASN A 103 13.982 -5.114 7.563 1.00 0.00 O ATOM 1291 CB ASN A 103 15.954 -2.514 7.224 1.00 0.00 C ATOM 1292 CG ASN A 103 14.854 -2.461 6.171 1.00 0.00 C ATOM 1293 OD1 ASN A 103 14.968 -3.068 5.106 1.00 0.00 O ATOM 1294 ND2 ASN A 103 13.789 -1.725 6.454 1.00 0.00 N ATOM 0 H ASN A 103 16.151 -5.608 7.063 1.00 0.00 H new ATOM 0 HA ASN A 103 16.360 -3.571 9.047 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.863 -1.647 7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.923 -2.441 6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.029 -1.647 5.779 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.730 -1.236 7.347 1.00 0.00 H new ATOM 1301 N ILE A 104 13.829 -3.654 9.261 1.00 0.00 N ATOM 1302 CA ILE A 104 12.403 -3.838 9.450 1.00 0.00 C ATOM 1303 C ILE A 104 11.696 -2.538 9.124 1.00 0.00 C ATOM 1304 O ILE A 104 12.136 -1.463 9.537 1.00 0.00 O ATOM 1305 CB ILE A 104 12.035 -4.222 10.896 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.511 -5.640 11.214 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.524 -4.089 11.099 1.00 0.00 C ATOM 1308 CD1 ILE A 104 13.201 -5.756 12.557 1.00 0.00 C ATOM 0 H ILE A 104 14.268 -3.041 9.948 1.00 0.00 H new ATOM 0 HA ILE A 104 12.095 -4.652 8.794 1.00 0.00 H new ATOM 0 HB ILE A 104 12.538 -3.542 11.584 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.656 -6.315 11.194 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.196 -5.969 10.432 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.269 -4.362 12.123 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.221 -3.059 10.912 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.004 -4.752 10.407 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.513 -6.788 12.718 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.076 -5.106 12.574 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.512 -5.458 13.347 1.00 0.00 H new ATOM 1320 N ASP A 105 10.615 -2.630 8.389 1.00 0.00 N ATOM 1321 CA ASP A 105 9.803 -1.469 8.118 1.00 0.00 C ATOM 1322 C ASP A 105 8.501 -1.558 8.898 1.00 0.00 C ATOM 1323 O ASP A 105 7.591 -2.304 8.531 1.00 0.00 O ATOM 1324 CB ASP A 105 9.518 -1.359 6.630 1.00 0.00 C ATOM 1325 CG ASP A 105 10.070 -0.081 6.028 1.00 0.00 C ATOM 1326 OD1 ASP A 105 11.292 -0.016 5.787 1.00 0.00 O ATOM 1327 OD2 ASP A 105 9.291 0.872 5.813 1.00 0.00 O ATOM 0 H ASP A 105 10.277 -3.496 7.968 1.00 0.00 H new ATOM 0 HA ASP A 105 10.345 -0.577 8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.952 -2.217 6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.441 -1.399 6.465 1.00 0.00 H new ATOM 1332 N ASN A 106 8.427 -0.808 9.984 1.00 0.00 N ATOM 1333 CA ASN A 106 7.242 -0.788 10.827 1.00 0.00 C ATOM 1334 C ASN A 106 6.701 0.624 10.924 1.00 0.00 C ATOM 1335 O ASN A 106 7.355 1.519 11.462 1.00 0.00 O ATOM 1336 CB ASN A 106 7.561 -1.324 12.225 1.00 0.00 C ATOM 1337 CG ASN A 106 6.389 -1.191 13.178 1.00 0.00 C ATOM 1338 OD1 ASN A 106 5.372 -2.016 12.982 1.00 0.00 O flip ATOM 1339 ND2 ASN A 106 6.400 -0.358 14.084 1.00 0.00 N flip ATOM 0 H ASN A 106 9.180 -0.200 10.305 1.00 0.00 H new ATOM 0 HA ASN A 106 6.487 -1.432 10.376 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.849 -2.373 12.152 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.418 -0.786 12.630 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.204 0.259 14.200 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.605 -0.284 14.719 1.00 0.00 H new ATOM 1346 N LYS A 107 5.515 0.826 10.386 1.00 0.00 N ATOM 1347 CA LYS A 107 4.919 2.148 10.343 1.00 0.00 C ATOM 1348 C LYS A 107 3.456 2.088 10.755 1.00 0.00 C ATOM 1349 O LYS A 107 2.817 1.041 10.625 1.00 0.00 O ATOM 1350 CB LYS A 107 5.042 2.731 8.929 1.00 0.00 C ATOM 1351 CG LYS A 107 6.403 3.338 8.628 1.00 0.00 C ATOM 1352 CD LYS A 107 7.316 2.336 7.941 1.00 0.00 C ATOM 1353 CE LYS A 107 8.733 2.397 8.494 1.00 0.00 C ATOM 1354 NZ LYS A 107 9.692 2.928 7.488 1.00 0.00 N ATOM 0 H LYS A 107 4.943 0.090 9.971 1.00 0.00 H new ATOM 0 HA LYS A 107 5.450 2.792 11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.838 1.944 8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.277 3.495 8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.280 4.215 7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.865 3.678 9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.917 1.330 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.334 2.535 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.750 3.028 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.046 1.400 8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.657 2.892 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.644 2.351 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.447 3.913 7.261 1.00 0.00 H new ATOM 1368 N PRO A 108 2.921 3.202 11.283 1.00 0.00 N ATOM 1369 CA PRO A 108 1.495 3.331 11.607 1.00 0.00 C ATOM 1370 C PRO A 108 0.616 3.157 10.369 1.00 0.00 C ATOM 1371 O PRO A 108 1.108 3.128 9.240 1.00 0.00 O ATOM 1372 CB PRO A 108 1.369 4.760 12.150 1.00 0.00 C ATOM 1373 CG PRO A 108 2.747 5.139 12.565 1.00 0.00 C ATOM 1374 CD PRO A 108 3.671 4.425 11.622 1.00 0.00 C ATOM 0 HA PRO A 108 1.167 2.569 12.314 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.986 5.439 11.388 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.678 4.803 12.992 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.889 6.218 12.509 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.939 4.846 13.597 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.886 5.024 10.737 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.627 4.195 12.092 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.686 3.081 10.586 1.00 0.00 N ATOM 1383 CA ALA A 109 -1.631 2.767 9.520 1.00 0.00 C ATOM 1384 C ALA A 109 -1.850 3.941 8.565 1.00 0.00 C ATOM 1385 O ALA A 109 -2.702 3.872 7.677 1.00 0.00 O ATOM 1386 CB ALA A 109 -2.954 2.337 10.125 1.00 0.00 C ATOM 0 H ALA A 109 -1.118 3.233 11.497 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.204 1.954 8.933 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.660 2.103 9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.801 1.454 10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.354 3.145 10.737 1.00 0.00 H new ATOM 1392 N LEU A 110 -1.083 5.010 8.733 1.00 0.00 N ATOM 1393 CA LEU A 110 -1.248 6.197 7.909 1.00 0.00 C ATOM 1394 C LEU A 110 0.092 6.698 7.384 1.00 0.00 C ATOM 1395 O LEU A 110 0.950 7.129 8.151 1.00 0.00 O ATOM 1396 CB LEU A 110 -1.943 7.307 8.703 1.00 0.00 C ATOM 1397 CG LEU A 110 -3.219 7.868 8.065 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -2.989 8.218 6.602 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -4.362 6.878 8.197 1.00 0.00 C ATOM 0 H LEU A 110 -0.342 5.078 9.431 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.869 5.924 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.190 6.923 9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.237 8.126 8.845 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.486 8.782 8.596 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.910 8.614 6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.202 8.968 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.690 7.323 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.259 7.294 7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.097 5.947 7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.552 6.681 9.252 1.00 0.00 H new