USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 652 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 Single : A 20 SER OG : rot 8:sc= -0.0719 USER MOD Single : A 24 GLN :FLIP amide:sc= -15! C(o=-17!,f=-15!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc=-0.000138 USER MOD Single : A 39 HIS : no HD1:sc= -7.08! C(o=-7.1!,f=-8.9!) USER MOD Single : A 45 GLN : amide:sc= -4.1! C(o=-4.1!,f=-3.9!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.85 F(o=-4.3!,f=-0.85) USER MOD Single : A 54 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.11) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -127:sc= -0.741 (180deg=-0.933) USER MOD Single : A 74 SER OG : rot 180:sc=-0.00563 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -2.69 F(o=-5.2!,f=-2.7) USER MOD Single : A 89 HIS : no HD1:sc= -4.38! C(o=-4.4!,f=-7.1!) USER MOD Single : A 94 SER OG : rot 50:sc= -0.165 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.545 X(o=-0.55,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 235 N ILE A 14 107.675 4.054 -2.441 1.00 0.00 N ATOM 236 CA ILE A 14 107.189 3.957 -3.815 1.00 0.00 C ATOM 237 C ILE A 14 105.727 4.370 -3.891 1.00 0.00 C ATOM 238 O ILE A 14 104.835 3.579 -3.587 1.00 0.00 O ATOM 239 CB ILE A 14 107.332 2.519 -4.317 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.813 2.107 -4.319 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.755 2.402 -5.733 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.645 3.095 -5.145 1.00 0.00 C ATOM 0 HA ILE A 14 107.783 4.625 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 14 106.781 1.854 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 14 109.188 2.073 -3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 14 108.917 1.103 -4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.860 1.376 -6.085 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.700 2.675 -5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 14 107.295 3.072 -6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.691 2.787 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.280 3.108 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.556 4.093 -4.716 1.00 0.00 H new ATOM 254 N ALA A 15 105.483 5.613 -4.295 1.00 0.00 N ATOM 255 CA ALA A 15 104.113 6.102 -4.397 1.00 0.00 C ATOM 256 C ALA A 15 103.572 5.967 -5.814 1.00 0.00 C ATOM 257 O ALA A 15 104.088 6.568 -6.756 1.00 0.00 O ATOM 258 CB ALA A 15 104.050 7.570 -3.976 1.00 0.00 C ATOM 0 H ALA A 15 106.202 6.289 -4.553 1.00 0.00 H new ATOM 0 HA ALA A 15 103.498 5.494 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 15 103.023 7.927 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.390 7.668 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.692 8.163 -4.627 1.00 0.00 H new ATOM 264 N PHE A 16 102.497 5.203 -5.933 1.00 0.00 N ATOM 265 CA PHE A 16 101.822 5.002 -7.205 1.00 0.00 C ATOM 266 C PHE A 16 100.344 4.764 -6.933 1.00 0.00 C ATOM 267 O PHE A 16 99.981 4.337 -5.837 1.00 0.00 O ATOM 268 CB PHE A 16 102.449 3.839 -7.984 1.00 0.00 C ATOM 269 CG PHE A 16 102.071 2.504 -7.380 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.244 2.269 -6.009 1.00 0.00 C ATOM 271 CD2 PHE A 16 101.569 1.489 -8.205 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.910 1.023 -5.467 1.00 0.00 C ATOM 273 CE2 PHE A 16 101.243 0.242 -7.662 1.00 0.00 C ATOM 274 CZ PHE A 16 101.412 0.010 -6.293 1.00 0.00 C ATOM 0 H PHE A 16 102.069 4.706 -5.152 1.00 0.00 H new ATOM 0 HA PHE A 16 101.934 5.889 -7.828 1.00 0.00 H new ATOM 0 HB2 PHE A 16 102.121 3.876 -9.023 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.534 3.944 -7.988 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.635 3.049 -5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 16 101.434 1.670 -9.261 1.00 0.00 H new ATOM 0 HE1 PHE A 16 102.037 0.843 -4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.861 -0.542 -8.300 1.00 0.00 H new ATOM 0 HZ PHE A 16 101.158 -0.952 -5.873 1.00 0.00 H new ATOM 284 N ASP A 17 99.483 5.063 -7.898 1.00 0.00 N ATOM 285 CA ASP A 17 98.050 4.889 -7.678 1.00 0.00 C ATOM 286 C ASP A 17 97.563 3.545 -8.208 1.00 0.00 C ATOM 287 O ASP A 17 98.068 3.037 -9.209 1.00 0.00 O ATOM 288 CB ASP A 17 97.280 6.016 -8.369 1.00 0.00 C ATOM 289 CG ASP A 17 97.543 5.983 -9.870 1.00 0.00 C ATOM 290 OD1 ASP A 17 96.982 5.123 -10.529 1.00 0.00 O ATOM 291 OD2 ASP A 17 98.300 6.816 -10.337 1.00 0.00 O ATOM 0 H ASP A 17 99.741 5.418 -8.819 1.00 0.00 H new ATOM 0 HA ASP A 17 97.871 4.918 -6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 17 96.212 5.910 -8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 17 97.584 6.979 -7.959 1.00 0.00 H new ATOM 296 N ALA A 18 96.569 2.985 -7.530 1.00 0.00 N ATOM 297 CA ALA A 18 95.994 1.707 -7.930 1.00 0.00 C ATOM 298 C ALA A 18 94.862 1.329 -6.981 1.00 0.00 C ATOM 299 O ALA A 18 94.591 2.037 -6.013 1.00 0.00 O ATOM 300 CB ALA A 18 97.062 0.610 -7.936 1.00 0.00 C ATOM 0 H ALA A 18 96.144 3.397 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 18 95.598 1.806 -8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.611 -0.335 -8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.852 0.875 -8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.484 0.508 -6.936 1.00 0.00 H new ATOM 306 N ASP A 19 94.201 0.215 -7.265 1.00 0.00 N ATOM 307 CA ASP A 19 93.096 -0.234 -6.424 1.00 0.00 C ATOM 308 C ASP A 19 93.570 -1.262 -5.405 1.00 0.00 C ATOM 309 O ASP A 19 94.290 -2.200 -5.747 1.00 0.00 O ATOM 310 CB ASP A 19 91.995 -0.846 -7.292 1.00 0.00 C ATOM 311 CG ASP A 19 90.701 -0.958 -6.494 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.426 -0.056 -5.719 1.00 0.00 O ATOM 313 OD2 ASP A 19 90.005 -1.945 -6.666 1.00 0.00 O ATOM 0 H ASP A 19 94.406 -0.389 -8.061 1.00 0.00 H new ATOM 0 HA ASP A 19 92.703 0.631 -5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.834 -0.230 -8.177 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.302 -1.832 -7.642 1.00 0.00 H new ATOM 318 N SER A 20 93.146 -1.090 -4.156 1.00 0.00 N ATOM 319 CA SER A 20 93.518 -2.023 -3.103 1.00 0.00 C ATOM 320 C SER A 20 92.297 -2.387 -2.264 1.00 0.00 C ATOM 321 O SER A 20 91.343 -1.620 -2.165 1.00 0.00 O ATOM 322 CB SER A 20 94.593 -1.406 -2.210 1.00 0.00 C ATOM 323 OG SER A 20 94.174 -0.111 -1.801 1.00 0.00 O ATOM 0 H SER A 20 92.550 -0.320 -3.852 1.00 0.00 H new ATOM 0 HA SER A 20 93.913 -2.928 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.765 -2.038 -1.339 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.538 -1.342 -2.749 1.00 0.00 H new ATOM 0 HG SER A 20 93.245 0.035 -2.078 1.00 0.00 H new ATOM 329 N GLU A 21 92.343 -3.561 -1.657 1.00 0.00 N ATOM 330 CA GLU A 21 91.248 -4.030 -0.814 1.00 0.00 C ATOM 331 C GLU A 21 91.821 -4.617 0.459 1.00 0.00 C ATOM 332 O GLU A 21 92.882 -5.239 0.435 1.00 0.00 O ATOM 333 CB GLU A 21 90.424 -5.089 -1.553 1.00 0.00 C ATOM 334 CG GLU A 21 89.817 -4.477 -2.820 1.00 0.00 C ATOM 335 CD GLU A 21 88.543 -5.223 -3.207 1.00 0.00 C ATOM 336 OE1 GLU A 21 88.631 -6.412 -3.460 1.00 0.00 O ATOM 337 OE2 GLU A 21 87.500 -4.592 -3.246 1.00 0.00 O ATOM 0 H GLU A 21 93.126 -4.210 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 21 90.595 -3.192 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 21 91.055 -5.938 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.633 -5.467 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 21 89.594 -3.423 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 21 90.537 -4.524 -3.637 1.00 0.00 H new ATOM 344 N ILE A 22 91.135 -4.405 1.573 1.00 0.00 N ATOM 345 CA ILE A 22 91.627 -4.917 2.846 1.00 0.00 C ATOM 346 C ILE A 22 90.601 -5.835 3.498 1.00 0.00 C ATOM 347 O ILE A 22 89.413 -5.545 3.523 1.00 0.00 O ATOM 348 CB ILE A 22 91.966 -3.749 3.771 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.141 -2.937 3.172 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.324 -4.285 5.162 1.00 0.00 C ATOM 351 CD1 ILE A 22 94.378 -2.998 4.076 1.00 0.00 C ATOM 0 H ILE A 22 90.254 -3.893 1.624 1.00 0.00 H new ATOM 0 HA ILE A 22 92.528 -5.503 2.663 1.00 0.00 H new ATOM 0 HB ILE A 22 91.104 -3.089 3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.390 -3.327 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.837 -1.899 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.566 -3.452 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.476 -4.836 5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.185 -4.949 5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 22 95.185 -2.418 3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 22 94.134 -2.584 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 22 94.695 -4.035 4.189 1.00 0.00 H new ATOM 363 N LEU A 23 91.091 -6.953 4.019 1.00 0.00 N ATOM 364 CA LEU A 23 90.241 -7.941 4.667 1.00 0.00 C ATOM 365 C LEU A 23 90.709 -8.212 6.086 1.00 0.00 C ATOM 366 O LEU A 23 91.851 -8.608 6.316 1.00 0.00 O ATOM 367 CB LEU A 23 90.274 -9.254 3.873 1.00 0.00 C ATOM 368 CG LEU A 23 90.491 -8.946 2.385 1.00 0.00 C ATOM 369 CD1 LEU A 23 91.991 -8.927 2.073 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.812 -10.019 1.525 1.00 0.00 C ATOM 0 H LEU A 23 92.081 -7.198 4.004 1.00 0.00 H new ATOM 0 HA LEU A 23 89.225 -7.546 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 23 91.074 -9.895 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.340 -9.798 4.010 1.00 0.00 H new ATOM 0 HG LEU A 23 90.058 -7.971 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.140 -8.708 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.478 -8.160 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.424 -9.900 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.970 -9.794 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.240 -10.995 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.743 -10.032 1.737 1.00 0.00 H new ATOM 382 N GLN A 24 89.802 -8.015 7.028 1.00 0.00 N ATOM 383 CA GLN A 24 90.105 -8.260 8.435 1.00 0.00 C ATOM 384 C GLN A 24 89.004 -9.106 9.055 1.00 0.00 C ATOM 385 O GLN A 24 87.918 -8.605 9.346 1.00 0.00 O ATOM 386 CB GLN A 24 90.223 -6.940 9.198 1.00 0.00 C ATOM 387 CG GLN A 24 90.279 -7.228 10.703 1.00 0.00 C ATOM 388 CD GLN A 24 90.872 -6.038 11.447 1.00 0.00 C ATOM 389 OE1 GLN A 24 90.078 -5.179 12.026 1.00 0.00 O flip ATOM 390 NE2 GLN A 24 92.092 -5.890 11.506 1.00 0.00 N flip ATOM 0 H GLN A 24 88.853 -7.688 6.849 1.00 0.00 H new ATOM 0 HA GLN A 24 91.056 -8.788 8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 24 91.119 -6.405 8.885 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.372 -6.298 8.970 1.00 0.00 H new ATOM 0 HG2 GLN A 24 89.277 -7.437 11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 24 90.881 -8.118 10.888 1.00 0.00 H new ATOM 0 HE21 GLN A 24 92.710 -6.563 11.053 1.00 0.00 H new ATOM 0 HE22 GLN A 24 92.485 -5.094 12.008 1.00 0.00 H new ATOM 399 N GLY A 25 89.276 -10.393 9.234 1.00 0.00 N ATOM 400 CA GLY A 25 88.281 -11.293 9.799 1.00 0.00 C ATOM 401 C GLY A 25 87.267 -11.676 8.730 1.00 0.00 C ATOM 402 O GLY A 25 87.638 -12.104 7.638 1.00 0.00 O ATOM 0 H GLY A 25 90.166 -10.832 8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.766 -12.187 10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.776 -10.812 10.637 1.00 0.00 H new ATOM 406 N GLU A 26 85.987 -11.512 9.042 1.00 0.00 N ATOM 407 CA GLU A 26 84.933 -11.839 8.090 1.00 0.00 C ATOM 408 C GLU A 26 84.441 -10.578 7.385 1.00 0.00 C ATOM 409 O GLU A 26 83.410 -10.596 6.713 1.00 0.00 O ATOM 410 CB GLU A 26 83.763 -12.502 8.819 1.00 0.00 C ATOM 411 CG GLU A 26 83.352 -11.642 10.017 1.00 0.00 C ATOM 412 CD GLU A 26 81.974 -12.063 10.514 1.00 0.00 C ATOM 413 OE1 GLU A 26 81.533 -13.137 10.139 1.00 0.00 O ATOM 414 OE2 GLU A 26 81.378 -11.304 11.261 1.00 0.00 O ATOM 0 H GLU A 26 85.656 -11.158 9.939 1.00 0.00 H new ATOM 0 HA GLU A 26 85.338 -12.526 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 26 82.920 -12.624 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.048 -13.499 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 26 84.084 -11.746 10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 26 83.339 -10.590 9.732 1.00 0.00 H new ATOM 421 N ARG A 27 85.172 -9.478 7.559 1.00 0.00 N ATOM 422 CA ARG A 27 84.787 -8.209 6.950 1.00 0.00 C ATOM 423 C ARG A 27 85.758 -7.782 5.860 1.00 0.00 C ATOM 424 O ARG A 27 86.973 -7.792 6.054 1.00 0.00 O ATOM 425 CB ARG A 27 84.750 -7.115 8.011 1.00 0.00 C ATOM 426 CG ARG A 27 83.726 -7.474 9.098 1.00 0.00 C ATOM 427 CD ARG A 27 84.462 -7.791 10.394 1.00 0.00 C ATOM 428 NE ARG A 27 83.540 -8.351 11.378 1.00 0.00 N ATOM 429 CZ ARG A 27 83.986 -8.904 12.502 1.00 0.00 C ATOM 430 NH1 ARG A 27 85.266 -8.951 12.745 1.00 0.00 N ATOM 431 NH2 ARG A 27 83.139 -9.398 13.365 1.00 0.00 N ATOM 0 H ARG A 27 86.028 -9.441 8.113 1.00 0.00 H new ATOM 0 HA ARG A 27 83.802 -8.353 6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.738 -6.994 8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.488 -6.161 7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.035 -6.645 9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.131 -8.332 8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.269 -8.498 10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.921 -6.885 10.790 1.00 0.00 H new ATOM 0 HE ARG A 27 82.536 -8.317 11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 27 85.927 -8.563 12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 27 85.606 -9.376 13.608 1.00 0.00 H new ATOM 0 HH21 ARG A 27 82.137 -9.359 13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 27 83.479 -9.823 14.228 1.00 0.00 H new ATOM 445 N ARG A 28 85.209 -7.388 4.721 1.00 0.00 N ATOM 446 CA ARG A 28 86.020 -6.929 3.596 1.00 0.00 C ATOM 447 C ARG A 28 85.544 -5.567 3.138 1.00 0.00 C ATOM 448 O ARG A 28 84.360 -5.243 3.230 1.00 0.00 O ATOM 449 CB ARG A 28 85.928 -7.923 2.429 1.00 0.00 C ATOM 450 CG ARG A 28 87.002 -7.594 1.378 1.00 0.00 C ATOM 451 CD ARG A 28 86.473 -7.896 -0.030 1.00 0.00 C ATOM 452 NE ARG A 28 87.588 -8.173 -0.939 1.00 0.00 N ATOM 453 CZ ARG A 28 87.844 -9.405 -1.379 1.00 0.00 C ATOM 454 NH1 ARG A 28 87.100 -10.410 -1.002 1.00 0.00 N ATOM 455 NH2 ARG A 28 88.847 -9.608 -2.190 1.00 0.00 N ATOM 0 H ARG A 28 84.204 -7.376 4.548 1.00 0.00 H new ATOM 0 HA ARG A 28 87.058 -6.860 3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.064 -8.941 2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.937 -7.876 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 28 87.284 -6.544 1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.901 -8.179 1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 28 85.799 -8.752 0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.895 -7.049 -0.399 1.00 0.00 H new ATOM 0 HE ARG A 28 88.184 -7.403 -1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 28 86.317 -10.255 -0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 28 87.302 -11.350 -1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 28 89.431 -8.825 -2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 28 89.046 -10.549 -2.529 1.00 0.00 H new ATOM 469 N TRP A 29 86.482 -4.766 2.661 1.00 0.00 N ATOM 470 CA TRP A 29 86.179 -3.427 2.206 1.00 0.00 C ATOM 471 C TRP A 29 87.070 -3.049 1.029 1.00 0.00 C ATOM 472 O TRP A 29 88.171 -3.576 0.874 1.00 0.00 O ATOM 473 CB TRP A 29 86.438 -2.448 3.340 1.00 0.00 C ATOM 474 CG TRP A 29 85.633 -2.809 4.544 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.291 -2.694 4.651 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.105 -3.328 5.818 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.910 -3.097 5.920 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.996 -3.498 6.676 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.380 -3.660 6.308 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.147 -3.978 7.978 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.537 -4.146 7.616 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.422 -4.303 8.450 1.00 0.00 C ATOM 0 H TRP A 29 87.465 -5.026 2.580 1.00 0.00 H new ATOM 0 HA TRP A 29 85.135 -3.390 1.894 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.498 -2.448 3.592 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.187 -1.437 3.019 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.625 -2.345 3.875 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.947 -3.098 6.256 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.246 -3.540 5.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.284 -4.098 8.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.521 -4.400 7.981 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.548 -4.675 9.456 1.00 0.00 H new ATOM 493 N GLU A 30 86.590 -2.116 0.217 1.00 0.00 N ATOM 494 CA GLU A 30 87.349 -1.647 -0.933 1.00 0.00 C ATOM 495 C GLU A 30 88.031 -0.333 -0.574 1.00 0.00 C ATOM 496 O GLU A 30 87.430 0.517 0.086 1.00 0.00 O ATOM 497 CB GLU A 30 86.417 -1.434 -2.142 1.00 0.00 C ATOM 498 CG GLU A 30 85.015 -1.971 -1.832 1.00 0.00 C ATOM 499 CD GLU A 30 84.259 -0.984 -0.947 1.00 0.00 C ATOM 500 OE1 GLU A 30 84.672 -0.792 0.185 1.00 0.00 O ATOM 501 OE2 GLU A 30 83.275 -0.433 -1.413 1.00 0.00 O ATOM 0 H GLU A 30 85.680 -1.670 0.334 1.00 0.00 H new ATOM 0 HA GLU A 30 88.096 -2.395 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 30 86.362 -0.373 -2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.823 -1.941 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.466 -2.134 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 30 85.089 -2.937 -1.332 1.00 0.00 H new ATOM 508 N VAL A 31 89.277 -0.159 -0.985 1.00 0.00 N ATOM 509 CA VAL A 31 89.998 1.068 -0.666 1.00 0.00 C ATOM 510 C VAL A 31 90.999 1.411 -1.760 1.00 0.00 C ATOM 511 O VAL A 31 91.446 0.545 -2.509 1.00 0.00 O ATOM 512 CB VAL A 31 90.740 0.902 0.663 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.731 0.811 1.808 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.574 -0.378 0.621 1.00 0.00 C ATOM 0 H VAL A 31 89.806 -0.839 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 31 89.273 1.878 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 31 91.392 1.761 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.262 0.693 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.133 1.722 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.077 -0.047 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.103 -0.499 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.919 -1.234 0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.296 -0.316 -0.194 1.00 0.00 H new ATOM 524 N LEU A 32 91.368 2.682 -1.823 1.00 0.00 N ATOM 525 CA LEU A 32 92.343 3.142 -2.800 1.00 0.00 C ATOM 526 C LEU A 32 93.697 3.223 -2.110 1.00 0.00 C ATOM 527 O LEU A 32 93.815 3.813 -1.036 1.00 0.00 O ATOM 528 CB LEU A 32 91.922 4.520 -3.338 1.00 0.00 C ATOM 529 CG LEU A 32 93.118 5.267 -3.943 1.00 0.00 C ATOM 530 CD1 LEU A 32 93.770 4.423 -5.047 1.00 0.00 C ATOM 531 CD2 LEU A 32 92.627 6.589 -4.539 1.00 0.00 C ATOM 0 H LEU A 32 91.007 3.412 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 32 92.402 2.454 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 32 91.146 4.397 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.490 5.112 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 32 93.856 5.456 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 32 94.617 4.965 -5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 32 94.116 3.479 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 32 93.040 4.225 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 32 93.470 7.128 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 32 91.889 6.386 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 32 92.173 7.195 -3.755 1.00 0.00 H new ATOM 543 N LEU A 33 94.716 2.634 -2.718 1.00 0.00 N ATOM 544 CA LEU A 33 96.041 2.665 -2.123 1.00 0.00 C ATOM 545 C LEU A 33 96.810 3.861 -2.654 1.00 0.00 C ATOM 546 O LEU A 33 96.907 4.070 -3.863 1.00 0.00 O ATOM 547 CB LEU A 33 96.791 1.360 -2.422 1.00 0.00 C ATOM 548 CG LEU A 33 98.298 1.517 -2.117 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.851 0.228 -1.479 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.064 1.808 -3.417 1.00 0.00 C ATOM 0 H LEU A 33 94.653 2.138 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 33 95.947 2.760 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.376 0.550 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.653 1.086 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 33 98.428 2.345 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.913 0.353 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.319 0.025 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.712 -0.607 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.126 1.918 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.922 0.983 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.689 2.729 -3.862 1.00 0.00 H new ATOM 562 N HIS A 34 97.320 4.662 -1.734 1.00 0.00 N ATOM 563 CA HIS A 34 98.049 5.865 -2.102 1.00 0.00 C ATOM 564 C HIS A 34 99.546 5.594 -2.260 1.00 0.00 C ATOM 565 O HIS A 34 100.203 6.256 -3.062 1.00 0.00 O ATOM 566 CB HIS A 34 97.789 6.940 -1.057 1.00 0.00 C ATOM 567 CG HIS A 34 96.402 7.490 -1.247 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.148 8.611 -2.021 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.179 7.072 -0.779 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.820 8.827 -1.996 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.183 7.919 -1.254 1.00 0.00 N ATOM 0 H HIS A 34 97.243 4.502 -0.729 1.00 0.00 H new ATOM 0 HA HIS A 34 97.693 6.211 -3.073 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.894 6.523 -0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.525 7.738 -1.148 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.016 6.217 -0.140 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.329 9.638 -2.514 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.181 7.859 -1.074 1.00 0.00 H new ATOM 579 N ASP A 35 100.081 4.607 -1.551 1.00 0.00 N ATOM 580 CA ASP A 35 101.502 4.283 -1.716 1.00 0.00 C ATOM 581 C ASP A 35 101.869 3.014 -0.959 1.00 0.00 C ATOM 582 O ASP A 35 101.139 2.571 -0.071 1.00 0.00 O ATOM 583 CB ASP A 35 102.389 5.449 -1.265 1.00 0.00 C ATOM 584 CG ASP A 35 102.283 5.627 0.246 1.00 0.00 C ATOM 585 OD1 ASP A 35 101.293 6.185 0.688 1.00 0.00 O ATOM 586 OD2 ASP A 35 103.194 5.203 0.938 1.00 0.00 O ATOM 0 H ASP A 35 99.577 4.031 -0.877 1.00 0.00 H new ATOM 0 HA ASP A 35 101.677 4.109 -2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.425 5.259 -1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 35 102.085 6.366 -1.770 1.00 0.00 H new ATOM 591 N VAL A 36 103.001 2.422 -1.337 1.00 0.00 N ATOM 592 CA VAL A 36 103.462 1.187 -0.711 1.00 0.00 C ATOM 593 C VAL A 36 104.982 1.159 -0.616 1.00 0.00 C ATOM 594 O VAL A 36 105.675 1.973 -1.227 1.00 0.00 O ATOM 595 CB VAL A 36 102.972 -0.020 -1.524 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.829 -0.173 -2.785 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.078 -1.299 -0.689 1.00 0.00 C ATOM 0 H VAL A 36 103.613 2.777 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 36 103.053 1.140 0.298 1.00 0.00 H new ATOM 0 HB VAL A 36 101.931 0.144 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.480 -1.030 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.748 0.729 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.870 -0.327 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.728 -2.147 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.117 -1.461 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.465 -1.200 0.207 1.00 0.00 H new ATOM 607 N SER A 37 105.486 0.190 0.138 1.00 0.00 N ATOM 608 CA SER A 37 106.916 -0.001 0.317 1.00 0.00 C ATOM 609 C SER A 37 107.189 -1.499 0.344 1.00 0.00 C ATOM 610 O SER A 37 106.251 -2.296 0.386 1.00 0.00 O ATOM 611 CB SER A 37 107.381 0.640 1.626 1.00 0.00 C ATOM 612 OG SER A 37 108.800 0.704 1.640 1.00 0.00 O ATOM 0 H SER A 37 104.912 -0.486 0.643 1.00 0.00 H new ATOM 0 HA SER A 37 107.461 0.471 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.960 1.640 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 37 107.023 0.059 2.476 1.00 0.00 H new ATOM 0 HG SER A 37 109.101 1.116 2.477 1.00 0.00 H new ATOM 618 N LEU A 38 108.450 -1.894 0.307 1.00 0.00 N ATOM 619 CA LEU A 38 108.761 -3.318 0.314 1.00 0.00 C ATOM 620 C LEU A 38 108.376 -3.946 1.655 1.00 0.00 C ATOM 621 O LEU A 38 108.538 -5.149 1.853 1.00 0.00 O ATOM 622 CB LEU A 38 110.253 -3.538 0.020 1.00 0.00 C ATOM 623 CG LEU A 38 110.491 -4.960 -0.525 1.00 0.00 C ATOM 624 CD1 LEU A 38 111.728 -4.956 -1.431 1.00 0.00 C ATOM 625 CD2 LEU A 38 110.711 -5.955 0.631 1.00 0.00 C ATOM 0 H LEU A 38 109.257 -1.271 0.273 1.00 0.00 H new ATOM 0 HA LEU A 38 108.179 -3.805 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.599 -2.801 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.835 -3.388 0.929 1.00 0.00 H new ATOM 0 HG LEU A 38 109.613 -5.269 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 38 111.899 -5.961 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 38 111.568 -4.269 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 38 112.598 -4.635 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 38 110.877 -6.953 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 38 111.581 -5.650 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 38 109.831 -5.967 1.274 1.00 0.00 H new ATOM 637 N HIS A 39 107.862 -3.129 2.574 1.00 0.00 N ATOM 638 CA HIS A 39 107.463 -3.639 3.885 1.00 0.00 C ATOM 639 C HIS A 39 106.476 -2.697 4.580 1.00 0.00 C ATOM 640 O HIS A 39 106.506 -2.551 5.803 1.00 0.00 O ATOM 641 CB HIS A 39 108.704 -3.819 4.764 1.00 0.00 C ATOM 642 CG HIS A 39 108.416 -4.818 5.851 1.00 0.00 C ATOM 643 ND1 HIS A 39 108.231 -6.166 5.584 1.00 0.00 N ATOM 644 CD2 HIS A 39 108.281 -4.683 7.210 1.00 0.00 C ATOM 645 CE1 HIS A 39 107.997 -6.783 6.756 1.00 0.00 C ATOM 646 NE2 HIS A 39 108.017 -5.925 7.780 1.00 0.00 N ATOM 0 H HIS A 39 107.714 -2.129 2.439 1.00 0.00 H new ATOM 0 HA HIS A 39 106.966 -4.598 3.736 1.00 0.00 H new ATOM 0 HB2 HIS A 39 109.544 -4.159 4.158 1.00 0.00 H new ATOM 0 HB3 HIS A 39 108.993 -2.864 5.202 1.00 0.00 H new ATOM 0 HD2 HIS A 39 108.367 -3.754 7.754 1.00 0.00 H new ATOM 0 HE1 HIS A 39 107.815 -7.843 6.857 1.00 0.00 H new ATOM 0 HE2 HIS A 39 107.870 -6.135 8.767 1.00 0.00 H new ATOM 654 N GLY A 40 105.600 -2.064 3.803 1.00 0.00 N ATOM 655 CA GLY A 40 104.614 -1.147 4.374 1.00 0.00 C ATOM 656 C GLY A 40 103.600 -0.703 3.321 1.00 0.00 C ATOM 657 O GLY A 40 103.889 -0.737 2.130 1.00 0.00 O ATOM 0 H GLY A 40 105.551 -2.166 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.095 -1.634 5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.121 -0.274 4.786 1.00 0.00 H new ATOM 661 N ILE A 41 102.405 -0.302 3.763 1.00 0.00 N ATOM 662 CA ILE A 41 101.359 0.126 2.826 1.00 0.00 C ATOM 663 C ILE A 41 100.474 1.224 3.425 1.00 0.00 C ATOM 664 O ILE A 41 100.242 1.272 4.632 1.00 0.00 O ATOM 665 CB ILE A 41 100.497 -1.089 2.422 1.00 0.00 C ATOM 666 CG1 ILE A 41 99.000 -0.747 2.496 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.791 -2.261 3.356 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.185 -1.901 1.916 1.00 0.00 C ATOM 0 H ILE A 41 102.139 -0.264 4.747 1.00 0.00 H new ATOM 0 HA ILE A 41 101.846 0.542 1.944 1.00 0.00 H new ATOM 0 HB ILE A 41 100.745 -1.359 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.708 -0.565 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.798 0.170 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.181 -3.117 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.846 -2.527 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.556 -1.977 4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.123 -1.659 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.470 -2.061 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.379 -2.808 2.489 1.00 0.00 H new ATOM 680 N LEU A 42 99.971 2.093 2.544 1.00 0.00 N ATOM 681 CA LEU A 42 99.088 3.191 2.942 1.00 0.00 C ATOM 682 C LEU A 42 97.770 3.078 2.177 1.00 0.00 C ATOM 683 O LEU A 42 97.766 2.751 0.991 1.00 0.00 O ATOM 684 CB LEU A 42 99.751 4.542 2.621 1.00 0.00 C ATOM 685 CG LEU A 42 99.547 5.538 3.773 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.630 6.619 3.709 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.172 6.199 3.650 1.00 0.00 C ATOM 0 H LEU A 42 100.163 2.056 1.543 1.00 0.00 H new ATOM 0 HA LEU A 42 98.901 3.132 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.817 4.396 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.329 4.950 1.703 1.00 0.00 H new ATOM 0 HG LEU A 42 99.611 5.005 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.487 7.326 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.612 6.156 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.563 7.145 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.033 6.904 4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 42 98.107 6.729 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.396 5.435 3.693 1.00 0.00 H new ATOM 699 N VAL A 43 96.656 3.336 2.852 1.00 0.00 N ATOM 700 CA VAL A 43 95.352 3.240 2.199 1.00 0.00 C ATOM 701 C VAL A 43 94.385 4.308 2.708 1.00 0.00 C ATOM 702 O VAL A 43 94.688 5.048 3.643 1.00 0.00 O ATOM 703 CB VAL A 43 94.753 1.853 2.432 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.726 0.786 1.924 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.512 1.648 3.928 1.00 0.00 C ATOM 0 H VAL A 43 96.626 3.609 3.834 1.00 0.00 H new ATOM 0 HA VAL A 43 95.504 3.403 1.132 1.00 0.00 H new ATOM 0 HB VAL A 43 93.808 1.770 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.300 -0.203 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.902 0.932 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.670 0.869 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.085 0.659 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.458 1.730 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.821 2.408 4.293 1.00 0.00 H new ATOM 715 N GLY A 44 93.206 4.351 2.093 1.00 0.00 N ATOM 716 CA GLY A 44 92.160 5.304 2.493 1.00 0.00 C ATOM 717 C GLY A 44 91.166 4.615 3.432 1.00 0.00 C ATOM 718 O GLY A 44 90.915 3.419 3.287 1.00 0.00 O ATOM 0 H GLY A 44 92.946 3.741 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.609 6.164 2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.641 5.681 1.611 1.00 0.00 H new ATOM 722 N GLN A 45 90.619 5.345 4.412 1.00 0.00 N ATOM 723 CA GLN A 45 89.684 4.746 5.371 1.00 0.00 C ATOM 724 C GLN A 45 88.239 4.790 4.869 1.00 0.00 C ATOM 725 O GLN A 45 87.665 5.874 4.750 1.00 0.00 O ATOM 726 CB GLN A 45 89.750 5.535 6.685 1.00 0.00 C ATOM 727 CG GLN A 45 88.907 4.836 7.767 1.00 0.00 C ATOM 728 CD GLN A 45 87.539 5.505 7.892 1.00 0.00 C ATOM 729 OE1 GLN A 45 87.407 6.707 7.658 1.00 0.00 O ATOM 730 NE2 GLN A 45 86.507 4.793 8.256 1.00 0.00 N ATOM 0 H GLN A 45 90.804 6.337 4.561 1.00 0.00 H new ATOM 0 HA GLN A 45 89.973 3.704 5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.785 5.617 7.017 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.384 6.550 6.527 1.00 0.00 H new ATOM 0 HG2 GLN A 45 88.782 3.783 7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.427 4.876 8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.617 3.798 8.450 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.591 5.232 8.347 1.00 0.00 H new ATOM 739 N PRO A 46 87.622 3.668 4.600 1.00 0.00 N ATOM 740 CA PRO A 46 86.210 3.648 4.141 1.00 0.00 C ATOM 741 C PRO A 46 85.244 3.701 5.333 1.00 0.00 C ATOM 742 O PRO A 46 85.638 3.441 6.470 1.00 0.00 O ATOM 743 CB PRO A 46 86.117 2.333 3.376 1.00 0.00 C ATOM 744 CG PRO A 46 87.082 1.422 4.076 1.00 0.00 C ATOM 745 CD PRO A 46 88.180 2.315 4.683 1.00 0.00 C ATOM 0 HA PRO A 46 85.936 4.506 3.527 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.104 1.931 3.399 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.384 2.464 2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.577 0.848 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.511 0.704 3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.398 2.035 5.714 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.114 2.233 4.127 1.00 0.00 H new ATOM 753 N GLN A 47 83.993 4.067 5.071 1.00 0.00 N ATOM 754 CA GLN A 47 82.991 4.182 6.134 1.00 0.00 C ATOM 755 C GLN A 47 82.668 2.836 6.790 1.00 0.00 C ATOM 756 O GLN A 47 82.480 2.760 8.004 1.00 0.00 O ATOM 757 CB GLN A 47 81.705 4.778 5.558 1.00 0.00 C ATOM 758 CG GLN A 47 81.934 6.250 5.209 1.00 0.00 C ATOM 759 CD GLN A 47 80.660 6.852 4.628 1.00 0.00 C ATOM 760 OE1 GLN A 47 79.558 6.511 5.061 1.00 0.00 O ATOM 761 NE2 GLN A 47 80.742 7.730 3.668 1.00 0.00 N ATOM 0 H GLN A 47 83.647 4.289 4.138 1.00 0.00 H new ATOM 0 HA GLN A 47 83.411 4.830 6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.403 4.226 4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 47 80.894 4.687 6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 47 82.233 6.801 6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 47 82.749 6.340 4.491 1.00 0.00 H new ATOM 0 HE21 GLN A 47 81.655 8.011 3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 47 79.893 8.136 3.274 1.00 0.00 H new ATOM 770 N ASP A 48 82.578 1.787 5.981 1.00 0.00 N ATOM 771 CA ASP A 48 82.244 0.456 6.489 1.00 0.00 C ATOM 772 C ASP A 48 83.415 -0.183 7.243 1.00 0.00 C ATOM 773 O ASP A 48 83.368 -1.362 7.591 1.00 0.00 O ATOM 774 CB ASP A 48 81.820 -0.440 5.325 1.00 0.00 C ATOM 775 CG ASP A 48 81.488 -1.840 5.831 1.00 0.00 C ATOM 776 OD1 ASP A 48 81.212 -1.973 7.012 1.00 0.00 O ATOM 777 OD2 ASP A 48 81.512 -2.758 5.027 1.00 0.00 O ATOM 0 H ASP A 48 82.731 1.829 4.973 1.00 0.00 H new ATOM 0 HA ASP A 48 81.422 0.563 7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 48 80.952 -0.011 4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.620 -0.493 4.587 1.00 0.00 H new ATOM 782 N TRP A 49 84.463 0.594 7.487 1.00 0.00 N ATOM 783 CA TRP A 49 85.641 0.089 8.196 1.00 0.00 C ATOM 784 C TRP A 49 85.283 -0.423 9.589 1.00 0.00 C ATOM 785 O TRP A 49 85.674 0.176 10.588 1.00 0.00 O ATOM 786 CB TRP A 49 86.662 1.214 8.341 1.00 0.00 C ATOM 787 CG TRP A 49 87.938 0.690 8.926 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.264 0.724 10.236 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.046 0.075 8.237 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.531 0.170 10.399 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.061 -0.236 9.179 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.264 -0.231 6.886 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.261 -0.834 8.766 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.456 -0.830 6.477 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.450 -1.124 7.410 1.00 0.00 C ATOM 0 H TRP A 49 84.525 1.573 7.207 1.00 0.00 H new ATOM 0 HA TRP A 49 86.051 -0.738 7.616 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.858 1.663 7.367 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.258 2.000 8.979 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.643 1.117 11.028 1.00 0.00 H new ATOM 0 HE1 TRP A 49 90.008 0.074 11.296 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.502 -0.001 6.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 92.031 -1.068 9.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.609 -1.067 5.434 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.373 -1.579 7.083 1.00 0.00 H new ATOM 806 N ASN A 50 84.561 -1.533 9.665 1.00 0.00 N ATOM 807 CA ASN A 50 84.204 -2.090 10.968 1.00 0.00 C ATOM 808 C ASN A 50 85.234 -3.133 11.390 1.00 0.00 C ATOM 809 O ASN A 50 85.000 -4.336 11.265 1.00 0.00 O ATOM 810 CB ASN A 50 82.807 -2.709 10.936 1.00 0.00 C ATOM 811 CG ASN A 50 82.437 -3.223 12.323 1.00 0.00 C ATOM 812 OD1 ASN A 50 83.306 -3.135 13.295 1.00 0.00 O flip ATOM 813 ND2 ASN A 50 81.329 -3.720 12.528 1.00 0.00 N flip ATOM 0 H ASN A 50 84.216 -2.058 8.861 1.00 0.00 H new ATOM 0 HA ASN A 50 84.198 -1.279 11.697 1.00 0.00 H new ATOM 0 HB2 ASN A 50 82.079 -1.968 10.607 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.778 -3.527 10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 50 80.652 -3.788 11.768 1.00 0.00 H new ATOM 0 HD22 ASN A 50 81.088 -4.064 13.458 1.00 0.00 H new ATOM 820 N GLY A 51 86.378 -2.666 11.886 1.00 0.00 N ATOM 821 CA GLY A 51 87.439 -3.570 12.318 1.00 0.00 C ATOM 822 C GLY A 51 88.139 -3.043 13.567 1.00 0.00 C ATOM 823 O GLY A 51 88.067 -1.855 13.878 1.00 0.00 O ATOM 0 H GLY A 51 86.592 -1.675 11.998 1.00 0.00 H new ATOM 0 HA2 GLY A 51 87.020 -4.556 12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.166 -3.692 11.515 1.00 0.00 H new ATOM 827 N ASP A 52 88.804 -3.945 14.280 1.00 0.00 N ATOM 828 CA ASP A 52 89.514 -3.583 15.507 1.00 0.00 C ATOM 829 C ASP A 52 90.994 -3.305 15.224 1.00 0.00 C ATOM 830 O ASP A 52 91.757 -4.230 14.945 1.00 0.00 O ATOM 831 CB ASP A 52 89.403 -4.726 16.517 1.00 0.00 C ATOM 832 CG ASP A 52 89.828 -4.245 17.900 1.00 0.00 C ATOM 833 OD1 ASP A 52 90.327 -3.135 17.994 1.00 0.00 O ATOM 834 OD2 ASP A 52 89.650 -4.994 18.847 1.00 0.00 O ATOM 0 H ASP A 52 88.868 -4.932 14.032 1.00 0.00 H new ATOM 0 HA ASP A 52 89.060 -2.678 15.911 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.378 -5.094 16.550 1.00 0.00 H new ATOM 0 HB3 ASP A 52 90.031 -5.560 16.205 1.00 0.00 H new ATOM 839 N PRO A 53 91.421 -2.064 15.298 1.00 0.00 N ATOM 840 CA PRO A 53 92.846 -1.693 15.050 1.00 0.00 C ATOM 841 C PRO A 53 93.810 -2.600 15.795 1.00 0.00 C ATOM 842 O PRO A 53 94.977 -2.724 15.423 1.00 0.00 O ATOM 843 CB PRO A 53 92.944 -0.252 15.558 1.00 0.00 C ATOM 844 CG PRO A 53 91.563 0.300 15.427 1.00 0.00 C ATOM 845 CD PRO A 53 90.604 -0.878 15.621 1.00 0.00 C ATOM 0 HA PRO A 53 93.118 -1.795 13.999 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.285 -0.221 16.593 1.00 0.00 H new ATOM 0 HB3 PRO A 53 93.657 0.326 14.970 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.382 1.074 16.173 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.420 0.760 14.449 1.00 0.00 H new ATOM 0 HD2 PRO A 53 90.226 -0.920 16.643 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.738 -0.799 14.964 1.00 0.00 H new ATOM 853 N GLN A 54 93.321 -3.224 16.856 1.00 0.00 N ATOM 854 CA GLN A 54 94.161 -4.103 17.646 1.00 0.00 C ATOM 855 C GLN A 54 94.370 -5.445 16.948 1.00 0.00 C ATOM 856 O GLN A 54 95.359 -6.134 17.202 1.00 0.00 O ATOM 857 CB GLN A 54 93.535 -4.327 19.027 1.00 0.00 C ATOM 858 CG GLN A 54 93.274 -2.973 19.709 1.00 0.00 C ATOM 859 CD GLN A 54 94.007 -2.902 21.047 1.00 0.00 C ATOM 860 OE1 GLN A 54 94.577 -1.866 21.390 1.00 0.00 O ATOM 861 NE2 GLN A 54 94.025 -3.947 21.828 1.00 0.00 N ATOM 0 H GLN A 54 92.359 -3.138 17.185 1.00 0.00 H new ATOM 0 HA GLN A 54 95.133 -3.624 17.761 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.601 -4.880 18.927 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.200 -4.932 19.643 1.00 0.00 H new ATOM 0 HG2 GLN A 54 93.607 -2.162 19.061 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.204 -2.837 19.865 1.00 0.00 H new ATOM 0 HE21 GLN A 54 93.552 -4.805 21.543 1.00 0.00 H new ATOM 0 HE22 GLN A 54 94.512 -3.906 22.724 1.00 0.00 H new ATOM 870 N ARG A 55 93.446 -5.816 16.063 1.00 0.00 N ATOM 871 CA ARG A 55 93.571 -7.083 15.342 1.00 0.00 C ATOM 872 C ARG A 55 94.231 -6.854 13.981 1.00 0.00 C ATOM 873 O ARG A 55 94.183 -5.750 13.442 1.00 0.00 O ATOM 874 CB ARG A 55 92.196 -7.735 15.158 1.00 0.00 C ATOM 875 CG ARG A 55 91.775 -8.416 16.463 1.00 0.00 C ATOM 876 CD ARG A 55 90.375 -9.021 16.306 1.00 0.00 C ATOM 877 NE ARG A 55 89.371 -8.118 16.858 1.00 0.00 N ATOM 878 CZ ARG A 55 88.111 -8.149 16.437 1.00 0.00 C ATOM 879 NH1 ARG A 55 87.753 -8.993 15.508 1.00 0.00 N ATOM 880 NH2 ARG A 55 87.231 -7.335 16.952 1.00 0.00 N ATOM 0 H ARG A 55 92.617 -5.269 15.830 1.00 0.00 H new ATOM 0 HA ARG A 55 94.197 -7.754 15.930 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.460 -6.983 14.874 1.00 0.00 H new ATOM 0 HB3 ARG A 55 92.233 -8.465 14.350 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.491 -9.196 16.724 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.779 -7.693 17.279 1.00 0.00 H new ATOM 0 HD2 ARG A 55 90.167 -9.207 15.252 1.00 0.00 H new ATOM 0 HD3 ARG A 55 90.328 -9.984 16.815 1.00 0.00 H new ATOM 0 HE ARG A 55 89.641 -7.451 17.580 1.00 0.00 H new ATOM 0 HH11 ARG A 55 88.441 -9.629 15.105 1.00 0.00 H new ATOM 0 HH12 ARG A 55 86.786 -9.016 15.185 1.00 0.00 H new ATOM 0 HH21 ARG A 55 87.510 -6.675 17.678 1.00 0.00 H new ATOM 0 HH22 ARG A 55 86.264 -7.359 16.629 1.00 0.00 H new ATOM 894 N PRO A 56 94.862 -7.865 13.428 1.00 0.00 N ATOM 895 CA PRO A 56 95.565 -7.756 12.115 1.00 0.00 C ATOM 896 C PRO A 56 94.617 -7.527 10.939 1.00 0.00 C ATOM 897 O PRO A 56 93.420 -7.800 11.016 1.00 0.00 O ATOM 898 CB PRO A 56 96.322 -9.088 11.965 1.00 0.00 C ATOM 899 CG PRO A 56 96.217 -9.781 13.288 1.00 0.00 C ATOM 900 CD PRO A 56 94.980 -9.220 13.985 1.00 0.00 C ATOM 0 HA PRO A 56 96.225 -6.888 12.102 1.00 0.00 H new ATOM 0 HB2 PRO A 56 95.887 -9.696 11.172 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.365 -8.915 11.698 1.00 0.00 H new ATOM 0 HG2 PRO A 56 96.129 -10.859 13.153 1.00 0.00 H new ATOM 0 HG3 PRO A 56 97.111 -9.607 13.887 1.00 0.00 H new ATOM 0 HD2 PRO A 56 94.094 -9.819 13.776 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.103 -9.200 15.068 1.00 0.00 H new ATOM 908 N PHE A 57 95.192 -7.032 9.845 1.00 0.00 N ATOM 909 CA PHE A 57 94.449 -6.762 8.620 1.00 0.00 C ATOM 910 C PHE A 57 95.197 -7.382 7.439 1.00 0.00 C ATOM 911 O PHE A 57 96.413 -7.549 7.504 1.00 0.00 O ATOM 912 CB PHE A 57 94.357 -5.246 8.392 1.00 0.00 C ATOM 913 CG PHE A 57 93.625 -4.576 9.536 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.271 -4.368 10.762 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.303 -4.145 9.365 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.593 -3.734 11.812 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.627 -3.514 10.414 1.00 0.00 C ATOM 918 CZ PHE A 57 92.271 -3.308 11.637 1.00 0.00 C ATOM 0 H PHE A 57 96.185 -6.808 9.785 1.00 0.00 H new ATOM 0 HA PHE A 57 93.448 -7.185 8.706 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.358 -4.826 8.299 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.838 -5.045 7.455 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.291 -4.696 10.898 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.804 -4.301 8.420 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.091 -3.574 12.757 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.607 -3.186 10.279 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.749 -2.820 12.447 1.00 0.00 H new ATOM 928 N GLU A 58 94.496 -7.695 6.351 1.00 0.00 N ATOM 929 CA GLU A 58 95.165 -8.259 5.172 1.00 0.00 C ATOM 930 C GLU A 58 94.896 -7.363 3.970 1.00 0.00 C ATOM 931 O GLU A 58 93.795 -6.849 3.823 1.00 0.00 O ATOM 932 CB GLU A 58 94.671 -9.683 4.899 1.00 0.00 C ATOM 933 CG GLU A 58 94.787 -10.532 6.177 1.00 0.00 C ATOM 934 CD GLU A 58 93.400 -10.865 6.720 1.00 0.00 C ATOM 935 OE1 GLU A 58 92.755 -11.732 6.152 1.00 0.00 O ATOM 936 OE2 GLU A 58 93.003 -10.248 7.694 1.00 0.00 O ATOM 0 H GLU A 58 93.488 -7.573 6.257 1.00 0.00 H new ATOM 0 HA GLU A 58 96.238 -8.307 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.635 -9.659 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.258 -10.133 4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 58 95.331 -11.452 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 58 95.360 -9.991 6.930 1.00 0.00 H new ATOM 943 N ALA A 59 95.903 -7.135 3.132 1.00 0.00 N ATOM 944 CA ALA A 59 95.734 -6.252 1.979 1.00 0.00 C ATOM 945 C ALA A 59 95.983 -6.971 0.663 1.00 0.00 C ATOM 946 O ALA A 59 96.952 -7.718 0.521 1.00 0.00 O ATOM 947 CB ALA A 59 96.736 -5.099 2.085 1.00 0.00 C ATOM 0 H ALA A 59 96.833 -7.542 3.226 1.00 0.00 H new ATOM 0 HA ALA A 59 94.704 -5.895 1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.618 -4.434 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.554 -4.542 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.750 -5.498 2.097 1.00 0.00 H new ATOM 953 N ARG A 60 95.127 -6.693 -0.313 1.00 0.00 N ATOM 954 CA ARG A 60 95.281 -7.267 -1.640 1.00 0.00 C ATOM 955 C ARG A 60 95.366 -6.136 -2.651 1.00 0.00 C ATOM 956 O ARG A 60 94.514 -5.247 -2.664 1.00 0.00 O ATOM 957 CB ARG A 60 94.076 -8.148 -1.979 1.00 0.00 C ATOM 958 CG ARG A 60 94.177 -9.487 -1.242 1.00 0.00 C ATOM 959 CD ARG A 60 93.293 -10.525 -1.943 1.00 0.00 C ATOM 960 NE ARG A 60 92.594 -11.343 -0.958 1.00 0.00 N ATOM 961 CZ ARG A 60 91.445 -11.944 -1.253 1.00 0.00 C ATOM 962 NH1 ARG A 60 90.922 -11.806 -2.441 1.00 0.00 N ATOM 963 NH2 ARG A 60 90.837 -12.670 -0.354 1.00 0.00 N ATOM 0 H ARG A 60 94.322 -6.075 -0.209 1.00 0.00 H new ATOM 0 HA ARG A 60 96.185 -7.876 -1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.154 -7.639 -1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.032 -8.319 -3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 60 95.212 -9.828 -1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 60 93.864 -9.368 -0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 60 92.571 -10.022 -2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 60 93.904 -11.160 -2.585 1.00 0.00 H new ATOM 0 HE ARG A 60 92.994 -11.456 -0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 60 91.395 -11.237 -3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 60 90.041 -12.267 -2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 60 91.243 -12.777 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 60 89.956 -13.131 -0.581 1.00 0.00 H new ATOM 977 N LEU A 61 96.398 -6.150 -3.485 1.00 0.00 N ATOM 978 CA LEU A 61 96.572 -5.090 -4.475 1.00 0.00 C ATOM 979 C LEU A 61 96.307 -5.614 -5.878 1.00 0.00 C ATOM 980 O LEU A 61 96.519 -6.792 -6.164 1.00 0.00 O ATOM 981 CB LEU A 61 97.995 -4.526 -4.403 1.00 0.00 C ATOM 982 CG LEU A 61 98.418 -4.344 -2.942 1.00 0.00 C ATOM 983 CD1 LEU A 61 99.936 -4.167 -2.867 1.00 0.00 C ATOM 984 CD2 LEU A 61 97.736 -3.100 -2.362 1.00 0.00 C ATOM 0 H LEU A 61 97.119 -6.872 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 61 95.856 -4.299 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.687 -5.200 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.042 -3.570 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 61 98.123 -5.223 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.236 -4.038 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.426 -5.049 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 61 100.229 -3.288 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 61 98.037 -2.971 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 61 98.031 -2.222 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 61 96.654 -3.221 -2.414 1.00 0.00 H new ATOM 996 N TYR A 62 95.848 -4.726 -6.754 1.00 0.00 N ATOM 997 CA TYR A 62 95.561 -5.103 -8.131 1.00 0.00 C ATOM 998 C TYR A 62 96.168 -4.091 -9.098 1.00 0.00 C ATOM 999 O TYR A 62 95.702 -2.951 -9.200 1.00 0.00 O ATOM 1000 CB TYR A 62 94.049 -5.179 -8.355 1.00 0.00 C ATOM 1001 CG TYR A 62 93.413 -6.016 -7.269 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.186 -5.464 -6.003 1.00 0.00 C ATOM 1003 CD2 TYR A 62 93.045 -7.342 -7.531 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.591 -6.239 -4.997 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.452 -8.116 -6.526 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.225 -7.564 -5.260 1.00 0.00 C ATOM 1007 OH TYR A 62 91.638 -8.326 -4.270 1.00 0.00 O ATOM 0 H TYR A 62 95.668 -3.746 -6.536 1.00 0.00 H new ATOM 0 HA TYR A 62 96.002 -6.082 -8.317 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.621 -4.177 -8.352 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.838 -5.613 -9.332 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.469 -4.442 -5.801 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.219 -7.767 -8.508 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.415 -5.814 -4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.170 -9.139 -6.728 1.00 0.00 H new ATOM 0 HH TYR A 62 91.445 -9.222 -4.618 1.00 0.00 H new ATOM 1017 N LEU A 63 97.207 -4.523 -9.810 1.00 0.00 N ATOM 1018 CA LEU A 63 97.882 -3.667 -10.783 1.00 0.00 C ATOM 1019 C LEU A 63 97.477 -4.086 -12.194 1.00 0.00 C ATOM 1020 O LEU A 63 96.567 -3.506 -12.787 1.00 0.00 O ATOM 1021 CB LEU A 63 99.404 -3.776 -10.608 1.00 0.00 C ATOM 1022 CG LEU A 63 100.076 -2.497 -11.117 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.593 -2.625 -10.969 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.723 -2.284 -12.592 1.00 0.00 C ATOM 0 H LEU A 63 97.600 -5.461 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 63 97.588 -2.630 -10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.648 -3.933 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.782 -4.639 -11.156 1.00 0.00 H new ATOM 0 HG LEU A 63 99.724 -1.646 -10.534 1.00 0.00 H new ATOM 0 HD11 LEU A 63 102.072 -1.715 -11.331 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.845 -2.775 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 63 101.945 -3.477 -11.551 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.202 -1.374 -12.953 1.00 0.00 H new ATOM 0 HD22 LEU A 63 100.074 -3.135 -13.177 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.642 -2.192 -12.698 1.00 0.00 H new ATOM 1036 N GLY A 64 98.136 -5.116 -12.717 1.00 0.00 N ATOM 1037 CA GLY A 64 97.808 -5.622 -14.044 1.00 0.00 C ATOM 1038 C GLY A 64 96.559 -6.487 -13.954 1.00 0.00 C ATOM 1039 O GLY A 64 96.006 -6.666 -12.869 1.00 0.00 O ATOM 0 H GLY A 64 98.893 -5.612 -12.247 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.642 -4.793 -14.732 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.640 -6.204 -14.441 1.00 0.00 H new ATOM 1043 N LEU A 65 96.100 -7.019 -15.081 1.00 0.00 N ATOM 1044 CA LEU A 65 94.901 -7.847 -15.056 1.00 0.00 C ATOM 1045 C LEU A 65 95.218 -9.212 -14.450 1.00 0.00 C ATOM 1046 O LEU A 65 94.376 -9.817 -13.787 1.00 0.00 O ATOM 1047 CB LEU A 65 94.332 -8.021 -16.469 1.00 0.00 C ATOM 1048 CG LEU A 65 93.701 -6.708 -16.954 1.00 0.00 C ATOM 1049 CD1 LEU A 65 92.486 -6.353 -16.086 1.00 0.00 C ATOM 1050 CD2 LEU A 65 94.735 -5.578 -16.879 1.00 0.00 C ATOM 0 H LEU A 65 96.526 -6.897 -16.000 1.00 0.00 H new ATOM 0 HA LEU A 65 94.152 -7.348 -14.441 1.00 0.00 H new ATOM 0 HB2 LEU A 65 95.124 -8.326 -17.153 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.585 -8.815 -16.473 1.00 0.00 H new ATOM 0 HG LEU A 65 93.375 -6.833 -17.987 1.00 0.00 H new ATOM 0 HD11 LEU A 65 92.047 -5.420 -16.439 1.00 0.00 H new ATOM 0 HD12 LEU A 65 91.746 -7.151 -16.152 1.00 0.00 H new ATOM 0 HD13 LEU A 65 92.801 -6.236 -15.049 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.283 -4.648 -17.224 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.069 -5.459 -15.848 1.00 0.00 H new ATOM 0 HD23 LEU A 65 95.588 -5.823 -17.511 1.00 0.00 H new ATOM 1062 N ASP A 66 96.439 -9.688 -14.682 1.00 0.00 N ATOM 1063 CA ASP A 66 96.895 -10.976 -14.171 1.00 0.00 C ATOM 1064 C ASP A 66 97.792 -10.792 -12.949 1.00 0.00 C ATOM 1065 O ASP A 66 98.429 -11.741 -12.493 1.00 0.00 O ATOM 1066 CB ASP A 66 97.720 -11.658 -15.264 1.00 0.00 C ATOM 1067 CG ASP A 66 96.806 -12.130 -16.389 1.00 0.00 C ATOM 1068 OD1 ASP A 66 96.493 -11.324 -17.250 1.00 0.00 O ATOM 1069 OD2 ASP A 66 96.431 -13.292 -16.373 1.00 0.00 O ATOM 0 H ASP A 66 97.140 -9.190 -15.230 1.00 0.00 H new ATOM 0 HA ASP A 66 96.026 -11.571 -13.889 1.00 0.00 H new ATOM 0 HB2 ASP A 66 98.464 -10.964 -15.656 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.263 -12.505 -14.846 1.00 0.00 H new ATOM 1074 N VAL A 67 97.860 -9.565 -12.436 1.00 0.00 N ATOM 1075 CA VAL A 67 98.715 -9.278 -11.283 1.00 0.00 C ATOM 1076 C VAL A 67 97.902 -9.085 -10.010 1.00 0.00 C ATOM 1077 O VAL A 67 97.422 -7.989 -9.717 1.00 0.00 O ATOM 1078 CB VAL A 67 99.566 -8.027 -11.556 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.074 -7.429 -10.234 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.768 -8.409 -12.428 1.00 0.00 C ATOM 0 H VAL A 67 97.342 -8.763 -12.794 1.00 0.00 H new ATOM 0 HA VAL A 67 99.367 -10.138 -11.134 1.00 0.00 H new ATOM 0 HB VAL A 67 98.951 -7.288 -12.070 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.675 -6.544 -10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.224 -7.152 -9.610 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.683 -8.166 -9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.373 -7.523 -12.623 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.372 -9.154 -11.909 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.415 -8.822 -13.373 1.00 0.00 H new ATOM 1090 N LEU A 68 97.787 -10.163 -9.244 1.00 0.00 N ATOM 1091 CA LEU A 68 97.075 -10.130 -7.977 1.00 0.00 C ATOM 1092 C LEU A 68 98.089 -10.346 -6.855 1.00 0.00 C ATOM 1093 O LEU A 68 98.736 -11.390 -6.793 1.00 0.00 O ATOM 1094 CB LEU A 68 96.001 -11.231 -7.961 1.00 0.00 C ATOM 1095 CG LEU A 68 95.672 -11.648 -6.525 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.132 -10.446 -5.747 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.611 -12.752 -6.549 1.00 0.00 C ATOM 0 H LEU A 68 98.180 -11.074 -9.482 1.00 0.00 H new ATOM 0 HA LEU A 68 96.578 -9.170 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.099 -10.872 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.352 -12.096 -8.524 1.00 0.00 H new ATOM 0 HG LEU A 68 96.577 -12.015 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 68 94.899 -10.748 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 68 95.883 -9.657 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.228 -10.076 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.374 -13.051 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.710 -12.380 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 68 94.993 -13.612 -7.100 1.00 0.00 H new ATOM 1109 N ILE A 69 98.239 -9.350 -5.985 1.00 0.00 N ATOM 1110 CA ILE A 69 99.201 -9.451 -4.889 1.00 0.00 C ATOM 1111 C ILE A 69 98.484 -9.557 -3.545 1.00 0.00 C ATOM 1112 O ILE A 69 97.454 -8.921 -3.325 1.00 0.00 O ATOM 1113 CB ILE A 69 100.132 -8.231 -4.917 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.067 -8.333 -6.142 1.00 0.00 C ATOM 1115 CG2 ILE A 69 100.966 -8.172 -3.628 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.010 -7.035 -6.952 1.00 0.00 C ATOM 0 H ILE A 69 97.715 -8.475 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 69 99.795 -10.356 -5.017 1.00 0.00 H new ATOM 0 HB ILE A 69 99.534 -7.323 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.089 -8.523 -5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.771 -9.175 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.623 -7.303 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.301 -8.094 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.567 -9.077 -3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.672 -7.115 -7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 69 99.989 -6.864 -7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.328 -6.201 -6.326 1.00 0.00 H new ATOM 1128 N ARG A 70 99.052 -10.365 -2.648 1.00 0.00 N ATOM 1129 CA ARG A 70 98.482 -10.557 -1.316 1.00 0.00 C ATOM 1130 C ARG A 70 99.538 -10.327 -0.238 1.00 0.00 C ATOM 1131 O ARG A 70 100.645 -10.874 -0.303 1.00 0.00 O ATOM 1132 CB ARG A 70 97.902 -11.969 -1.199 1.00 0.00 C ATOM 1133 CG ARG A 70 97.038 -12.079 0.065 1.00 0.00 C ATOM 1134 CD ARG A 70 96.115 -13.306 -0.033 1.00 0.00 C ATOM 1135 NE ARG A 70 96.559 -14.345 0.890 1.00 0.00 N ATOM 1136 CZ ARG A 70 96.295 -15.629 0.661 1.00 0.00 C ATOM 1137 NH1 ARG A 70 95.631 -15.979 -0.408 1.00 0.00 N ATOM 1138 NH2 ARG A 70 96.699 -16.538 1.505 1.00 0.00 N ATOM 0 H ARG A 70 99.906 -10.896 -2.821 1.00 0.00 H new ATOM 0 HA ARG A 70 97.683 -9.830 -1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 70 97.303 -12.199 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 70 98.709 -12.701 -1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 70 97.676 -12.163 0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 70 96.442 -11.175 0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 70 95.089 -13.018 0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 70 96.116 -13.691 -1.053 1.00 0.00 H new ATOM 0 HE ARG A 70 97.081 -14.082 1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 70 95.315 -15.268 -1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 70 95.429 -16.963 -0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 70 97.217 -16.264 2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 70 96.497 -17.522 1.330 1.00 0.00 H new ATOM 1152 N MET A 71 99.183 -9.519 0.757 1.00 0.00 N ATOM 1153 CA MET A 71 100.092 -9.215 1.854 1.00 0.00 C ATOM 1154 C MET A 71 99.321 -9.197 3.168 1.00 0.00 C ATOM 1155 O MET A 71 98.158 -8.795 3.207 1.00 0.00 O ATOM 1156 CB MET A 71 100.767 -7.842 1.644 1.00 0.00 C ATOM 1157 CG MET A 71 100.788 -7.450 0.156 1.00 0.00 C ATOM 1158 SD MET A 71 100.730 -5.643 0.005 1.00 0.00 S ATOM 1159 CE MET A 71 102.321 -5.273 0.789 1.00 0.00 C ATOM 0 H MET A 71 98.273 -9.064 0.825 1.00 0.00 H new ATOM 0 HA MET A 71 100.863 -9.985 1.884 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.234 -7.082 2.215 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.787 -7.873 2.028 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.689 -7.837 -0.320 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.938 -7.896 -0.361 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.173 -4.545 1.587 1.00 0.00 H new ATOM 0 HE2 MET A 71 102.743 -6.188 1.206 1.00 0.00 H new ATOM 0 HE3 MET A 71 103.006 -4.863 0.047 1.00 0.00 H new ATOM 1169 N GLU A 72 99.984 -9.598 4.248 1.00 0.00 N ATOM 1170 CA GLU A 72 99.351 -9.584 5.564 1.00 0.00 C ATOM 1171 C GLU A 72 99.949 -8.427 6.347 1.00 0.00 C ATOM 1172 O GLU A 72 101.169 -8.327 6.460 1.00 0.00 O ATOM 1173 CB GLU A 72 99.589 -10.908 6.297 1.00 0.00 C ATOM 1174 CG GLU A 72 98.653 -11.015 7.516 1.00 0.00 C ATOM 1175 CD GLU A 72 97.767 -12.254 7.400 1.00 0.00 C ATOM 1176 OE1 GLU A 72 97.353 -12.562 6.294 1.00 0.00 O ATOM 1177 OE2 GLU A 72 97.515 -12.875 8.419 1.00 0.00 O ATOM 0 H GLU A 72 100.947 -9.933 4.241 1.00 0.00 H new ATOM 0 HA GLU A 72 98.273 -9.461 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.414 -11.744 5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.628 -10.972 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.242 -11.066 8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 72 98.032 -10.122 7.586 1.00 0.00 H new ATOM 1184 N ILE A 73 99.113 -7.519 6.831 1.00 0.00 N ATOM 1185 CA ILE A 73 99.640 -6.353 7.532 1.00 0.00 C ATOM 1186 C ILE A 73 98.903 -6.044 8.828 1.00 0.00 C ATOM 1187 O ILE A 73 97.777 -6.484 9.047 1.00 0.00 O ATOM 1188 CB ILE A 73 99.544 -5.146 6.599 1.00 0.00 C ATOM 1189 CG1 ILE A 73 98.084 -4.679 6.515 1.00 0.00 C ATOM 1190 CG2 ILE A 73 100.036 -5.544 5.201 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.912 -3.699 5.350 1.00 0.00 C ATOM 0 H ILE A 73 98.097 -7.561 6.756 1.00 0.00 H new ATOM 0 HA ILE A 73 100.672 -6.573 7.804 1.00 0.00 H new ATOM 0 HB ILE A 73 100.162 -4.335 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.427 -5.538 6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.793 -4.200 7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.969 -4.685 4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.072 -5.877 5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.417 -6.354 4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.873 -3.374 5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 73 98.556 -2.833 5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 73 98.184 -4.192 4.417 1.00 0.00 H new ATOM 1203 N SER A 74 99.556 -5.248 9.663 1.00 0.00 N ATOM 1204 CA SER A 74 98.987 -4.817 10.933 1.00 0.00 C ATOM 1205 C SER A 74 98.873 -3.296 10.927 1.00 0.00 C ATOM 1206 O SER A 74 99.673 -2.609 10.294 1.00 0.00 O ATOM 1207 CB SER A 74 99.872 -5.274 12.095 1.00 0.00 C ATOM 1208 OG SER A 74 99.687 -4.398 13.199 1.00 0.00 O ATOM 0 H SER A 74 100.491 -4.884 9.481 1.00 0.00 H new ATOM 0 HA SER A 74 98.000 -5.262 11.062 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.619 -6.295 12.380 1.00 0.00 H new ATOM 0 HB3 SER A 74 100.919 -5.278 11.790 1.00 0.00 H new ATOM 0 HG SER A 74 100.251 -4.689 13.946 1.00 0.00 H new ATOM 1214 N LEU A 75 97.867 -2.776 11.619 1.00 0.00 N ATOM 1215 CA LEU A 75 97.669 -1.331 11.654 1.00 0.00 C ATOM 1216 C LEU A 75 98.821 -0.663 12.387 1.00 0.00 C ATOM 1217 O LEU A 75 99.136 -0.994 13.531 1.00 0.00 O ATOM 1218 CB LEU A 75 96.326 -0.976 12.299 1.00 0.00 C ATOM 1219 CG LEU A 75 95.841 0.387 11.776 1.00 0.00 C ATOM 1220 CD1 LEU A 75 94.312 0.418 11.748 1.00 0.00 C ATOM 1221 CD2 LEU A 75 96.361 1.497 12.690 1.00 0.00 C ATOM 0 H LEU A 75 97.188 -3.319 12.153 1.00 0.00 H new ATOM 0 HA LEU A 75 97.650 -0.959 10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.589 -1.746 12.073 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.430 -0.944 13.384 1.00 0.00 H new ATOM 0 HG LEU A 75 96.219 0.541 10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 75 93.974 1.386 11.377 1.00 0.00 H new ATOM 0 HD12 LEU A 75 93.944 -0.371 11.092 1.00 0.00 H new ATOM 0 HD13 LEU A 75 93.926 0.261 12.755 1.00 0.00 H new ATOM 0 HD21 LEU A 75 96.018 2.463 12.320 1.00 0.00 H new ATOM 0 HD22 LEU A 75 95.986 1.341 13.701 1.00 0.00 H new ATOM 0 HD23 LEU A 75 97.451 1.479 12.701 1.00 0.00 H new ATOM 1233 N ALA A 76 99.423 0.316 11.713 1.00 0.00 N ATOM 1234 CA ALA A 76 100.519 1.082 12.285 1.00 0.00 C ATOM 1235 C ALA A 76 100.017 2.414 12.856 1.00 0.00 C ATOM 1236 O ALA A 76 100.449 2.845 13.924 1.00 0.00 O ATOM 1237 CB ALA A 76 101.615 1.294 11.241 1.00 0.00 C ATOM 0 H ALA A 76 99.166 0.595 10.766 1.00 0.00 H new ATOM 0 HA ALA A 76 100.947 0.517 13.113 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.430 1.869 11.681 1.00 0.00 H new ATOM 0 HB2 ALA A 76 101.991 0.327 10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.206 1.838 10.389 1.00 0.00 H new ATOM 1243 N TRP A 77 99.109 3.063 12.121 1.00 0.00 N ATOM 1244 CA TRP A 77 98.558 4.357 12.552 1.00 0.00 C ATOM 1245 C TRP A 77 97.365 4.765 11.683 1.00 0.00 C ATOM 1246 O TRP A 77 97.091 4.147 10.653 1.00 0.00 O ATOM 1247 CB TRP A 77 99.639 5.439 12.415 1.00 0.00 C ATOM 1248 CG TRP A 77 100.002 5.515 10.971 1.00 0.00 C ATOM 1249 CD1 TRP A 77 100.995 4.812 10.390 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.377 6.299 9.911 1.00 0.00 C ATOM 1251 NE1 TRP A 77 100.985 5.066 9.037 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.016 5.986 8.695 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.315 7.219 9.880 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 99.629 6.567 7.489 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 97.919 7.810 8.665 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.579 7.487 7.471 1.00 0.00 C ATOM 0 H TRP A 77 98.741 2.720 11.233 1.00 0.00 H new ATOM 0 HA TRP A 77 98.232 4.257 13.587 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.269 6.401 12.770 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.512 5.190 13.019 1.00 0.00 H new ATOM 0 HD1 TRP A 77 101.685 4.157 10.902 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.618 4.627 8.368 1.00 0.00 H new ATOM 0 HE3 TRP A 77 97.799 7.474 10.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.139 6.307 6.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.102 8.516 8.653 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.277 7.948 6.542 1.00 0.00 H new ATOM 1267 N ALA A 78 96.686 5.839 12.090 1.00 0.00 N ATOM 1268 CA ALA A 78 95.553 6.370 11.328 1.00 0.00 C ATOM 1269 C ALA A 78 95.479 7.883 11.532 1.00 0.00 C ATOM 1270 O ALA A 78 95.387 8.348 12.668 1.00 0.00 O ATOM 1271 CB ALA A 78 94.259 5.740 11.846 1.00 0.00 C ATOM 0 H ALA A 78 96.900 6.358 12.942 1.00 0.00 H new ATOM 0 HA ALA A 78 95.682 6.140 10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.412 6.132 11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.307 4.658 11.724 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.134 5.981 12.902 1.00 0.00 H new ATOM 1277 N ARG A 79 95.521 8.659 10.447 1.00 0.00 N ATOM 1278 CA ARG A 79 95.456 10.113 10.591 1.00 0.00 C ATOM 1279 C ARG A 79 94.867 10.811 9.362 1.00 0.00 C ATOM 1280 O ARG A 79 95.273 10.540 8.231 1.00 0.00 O ATOM 1281 CB ARG A 79 96.861 10.661 10.882 1.00 0.00 C ATOM 1282 CG ARG A 79 96.774 11.929 11.741 1.00 0.00 C ATOM 1283 CD ARG A 79 98.179 12.358 12.176 1.00 0.00 C ATOM 1284 NE ARG A 79 98.105 13.164 13.389 1.00 0.00 N ATOM 1285 CZ ARG A 79 97.899 14.476 13.333 1.00 0.00 C ATOM 1286 NH1 ARG A 79 97.761 15.068 12.179 1.00 0.00 N ATOM 1287 NH2 ARG A 79 97.833 15.173 14.435 1.00 0.00 N ATOM 0 H ARG A 79 95.597 8.319 9.488 1.00 0.00 H new ATOM 0 HA ARG A 79 94.784 10.325 11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.453 9.905 11.397 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.373 10.883 9.946 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.298 12.730 11.176 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.153 11.744 12.617 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.798 11.478 12.352 1.00 0.00 H new ATOM 0 HD3 ARG A 79 98.656 12.929 11.379 1.00 0.00 H new ATOM 0 HE ARG A 79 98.213 12.713 14.297 1.00 0.00 H new ATOM 0 HH11 ARG A 79 97.811 14.524 11.318 1.00 0.00 H new ATOM 0 HH12 ARG A 79 97.603 16.075 12.138 1.00 0.00 H new ATOM 0 HH21 ARG A 79 97.940 14.711 15.338 1.00 0.00 H new ATOM 0 HH22 ARG A 79 97.675 16.180 14.393 1.00 0.00 H new ATOM 1301 N ASP A 80 93.960 11.755 9.599 1.00 0.00 N ATOM 1302 CA ASP A 80 93.379 12.544 8.513 1.00 0.00 C ATOM 1303 C ASP A 80 92.716 11.694 7.436 1.00 0.00 C ATOM 1304 O ASP A 80 92.907 11.946 6.246 1.00 0.00 O ATOM 1305 CB ASP A 80 94.467 13.404 7.869 1.00 0.00 C ATOM 1306 CG ASP A 80 95.232 14.168 8.945 1.00 0.00 C ATOM 1307 OD1 ASP A 80 94.787 14.156 10.081 1.00 0.00 O ATOM 1308 OD2 ASP A 80 96.251 14.752 8.617 1.00 0.00 O ATOM 0 H ASP A 80 93.612 11.993 10.528 1.00 0.00 H new ATOM 0 HA ASP A 80 92.600 13.162 8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.152 12.774 7.302 1.00 0.00 H new ATOM 0 HB3 ASP A 80 94.019 14.104 7.163 1.00 0.00 H new ATOM 1313 N GLY A 81 91.903 10.725 7.833 1.00 0.00 N ATOM 1314 CA GLY A 81 91.192 9.908 6.855 1.00 0.00 C ATOM 1315 C GLY A 81 92.052 8.795 6.268 1.00 0.00 C ATOM 1316 O GLY A 81 91.520 7.789 5.801 1.00 0.00 O ATOM 0 H GLY A 81 91.720 10.486 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.313 9.469 7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 81 90.835 10.547 6.048 1.00 0.00 H new ATOM 1320 N LEU A 82 93.370 8.965 6.263 1.00 0.00 N ATOM 1321 CA LEU A 82 94.241 7.945 5.694 1.00 0.00 C ATOM 1322 C LEU A 82 94.647 6.927 6.753 1.00 0.00 C ATOM 1323 O LEU A 82 94.534 7.182 7.952 1.00 0.00 O ATOM 1324 CB LEU A 82 95.491 8.600 5.103 1.00 0.00 C ATOM 1325 CG LEU A 82 95.104 9.906 4.403 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.310 10.452 3.638 1.00 0.00 C ATOM 1327 CD2 LEU A 82 93.960 9.644 3.419 1.00 0.00 C ATOM 0 H LEU A 82 93.851 9.783 6.639 1.00 0.00 H new ATOM 0 HA LEU A 82 93.694 7.427 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.217 8.799 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 82 95.968 7.923 4.394 1.00 0.00 H new ATOM 0 HG LEU A 82 94.783 10.632 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.034 11.382 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.127 10.642 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.630 9.722 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.687 10.575 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.281 8.916 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.097 9.254 3.959 1.00 0.00 H new ATOM 1339 N LEU A 83 95.107 5.766 6.296 1.00 0.00 N ATOM 1340 CA LEU A 83 95.516 4.699 7.203 1.00 0.00 C ATOM 1341 C LEU A 83 96.816 4.064 6.754 1.00 0.00 C ATOM 1342 O LEU A 83 96.988 3.762 5.574 1.00 0.00 O ATOM 1343 CB LEU A 83 94.463 3.591 7.174 1.00 0.00 C ATOM 1344 CG LEU A 83 93.092 4.142 7.548 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.039 3.069 7.263 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.062 4.505 9.036 1.00 0.00 C ATOM 0 H LEU A 83 95.206 5.541 5.306 1.00 0.00 H new ATOM 0 HA LEU A 83 95.633 5.136 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.423 3.146 6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.743 2.798 7.867 1.00 0.00 H new ATOM 0 HG LEU A 83 92.884 5.038 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.052 3.449 7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.059 2.812 6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.255 2.180 7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.079 4.898 9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.266 3.615 9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.820 5.261 9.242 1.00 0.00 H new ATOM 1358 N GLY A 84 97.721 3.823 7.692 1.00 0.00 N ATOM 1359 CA GLY A 84 98.980 3.181 7.362 1.00 0.00 C ATOM 1360 C GLY A 84 98.992 1.778 7.935 1.00 0.00 C ATOM 1361 O GLY A 84 98.276 1.483 8.892 1.00 0.00 O ATOM 0 H GLY A 84 97.607 4.060 8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.111 3.146 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.812 3.758 7.765 1.00 0.00 H new ATOM 1365 N PHE A 85 99.797 0.916 7.347 1.00 0.00 N ATOM 1366 CA PHE A 85 99.882 -0.456 7.809 1.00 0.00 C ATOM 1367 C PHE A 85 101.297 -0.975 7.651 1.00 0.00 C ATOM 1368 O PHE A 85 101.978 -0.658 6.677 1.00 0.00 O ATOM 1369 CB PHE A 85 98.935 -1.337 6.995 1.00 0.00 C ATOM 1370 CG PHE A 85 97.503 -1.041 7.369 1.00 0.00 C ATOM 1371 CD1 PHE A 85 96.890 -1.753 8.407 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.786 -0.062 6.673 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.561 -1.482 8.751 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.457 0.206 7.018 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.845 -0.501 8.056 1.00 0.00 C ATOM 0 H PHE A 85 100.398 1.138 6.554 1.00 0.00 H new ATOM 0 HA PHE A 85 99.601 -0.486 8.862 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.085 -1.159 5.930 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.157 -2.389 7.177 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.443 -2.511 8.942 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.258 0.486 5.871 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.088 -2.030 9.553 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.903 0.961 6.481 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.820 -0.290 8.322 1.00 0.00 H new ATOM 1385 N GLU A 86 101.733 -1.786 8.603 1.00 0.00 N ATOM 1386 CA GLU A 86 103.071 -2.355 8.543 1.00 0.00 C ATOM 1387 C GLU A 86 102.964 -3.810 8.100 1.00 0.00 C ATOM 1388 O GLU A 86 102.173 -4.577 8.652 1.00 0.00 O ATOM 1389 CB GLU A 86 103.736 -2.278 9.920 1.00 0.00 C ATOM 1390 CG GLU A 86 105.217 -2.651 9.802 1.00 0.00 C ATOM 1391 CD GLU A 86 105.364 -4.155 9.596 1.00 0.00 C ATOM 1392 OE1 GLU A 86 104.452 -4.878 9.966 1.00 0.00 O ATOM 1393 OE2 GLU A 86 106.386 -4.563 9.071 1.00 0.00 O ATOM 0 H GLU A 86 101.186 -2.063 9.419 1.00 0.00 H new ATOM 0 HA GLU A 86 103.678 -1.794 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 86 103.636 -1.272 10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.236 -2.953 10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 86 105.669 -2.116 8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 86 105.750 -2.346 10.703 1.00 0.00 H new ATOM 1400 N CYS A 87 103.734 -4.180 7.083 1.00 0.00 N ATOM 1401 CA CYS A 87 103.684 -5.538 6.553 1.00 0.00 C ATOM 1402 C CYS A 87 104.452 -6.527 7.424 1.00 0.00 C ATOM 1403 O CYS A 87 105.626 -6.324 7.730 1.00 0.00 O ATOM 1404 CB CYS A 87 104.261 -5.557 5.140 1.00 0.00 C ATOM 1405 SG CYS A 87 104.315 -7.261 4.534 1.00 0.00 S ATOM 0 H CYS A 87 104.396 -3.564 6.612 1.00 0.00 H new ATOM 0 HA CYS A 87 102.639 -5.846 6.543 1.00 0.00 H new ATOM 0 HB2 CYS A 87 103.650 -4.943 4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.263 -5.127 5.139 1.00 0.00 H new ATOM 0 HG CYS A 87 104.804 -7.278 3.330 1.00 0.00 H new ATOM 1411 N GLN A 88 103.772 -7.607 7.807 1.00 0.00 N ATOM 1412 CA GLN A 88 104.385 -8.643 8.631 1.00 0.00 C ATOM 1413 C GLN A 88 104.749 -9.857 7.779 1.00 0.00 C ATOM 1414 O GLN A 88 105.690 -10.584 8.098 1.00 0.00 O ATOM 1415 CB GLN A 88 103.425 -9.063 9.750 1.00 0.00 C ATOM 1416 CG GLN A 88 102.192 -9.760 9.153 1.00 0.00 C ATOM 1417 CD GLN A 88 100.919 -9.228 9.805 1.00 0.00 C ATOM 1418 OE1 GLN A 88 100.690 -7.943 9.811 1.00 0.00 O flip ATOM 1419 NE2 GLN A 88 100.115 -10.002 10.322 1.00 0.00 N flip ATOM 0 H GLN A 88 102.799 -7.785 7.560 1.00 0.00 H new ATOM 0 HA GLN A 88 105.295 -8.239 9.074 1.00 0.00 H new ATOM 0 HB2 GLN A 88 103.933 -9.735 10.442 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.117 -8.188 10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 88 102.156 -9.592 8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 88 102.265 -10.837 9.305 1.00 0.00 H new ATOM 0 HE21 GLN A 88 100.297 -11.006 10.316 1.00 0.00 H new ATOM 0 HE22 GLN A 88 99.266 -9.640 10.757 1.00 0.00 H new ATOM 1428 N HIS A 89 104.011 -10.071 6.689 1.00 0.00 N ATOM 1429 CA HIS A 89 104.291 -11.199 5.806 1.00 0.00 C ATOM 1430 C HIS A 89 103.669 -10.970 4.430 1.00 0.00 C ATOM 1431 O HIS A 89 102.567 -10.443 4.314 1.00 0.00 O ATOM 1432 CB HIS A 89 103.746 -12.496 6.431 1.00 0.00 C ATOM 1433 CG HIS A 89 102.965 -13.281 5.410 1.00 0.00 C ATOM 1434 ND1 HIS A 89 103.482 -13.599 4.163 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.699 -13.813 5.436 1.00 0.00 C ATOM 1436 CE1 HIS A 89 102.541 -14.291 3.496 1.00 0.00 C ATOM 1437 NE2 HIS A 89 101.435 -14.451 4.227 1.00 0.00 N ATOM 0 H HIS A 89 103.226 -9.486 6.401 1.00 0.00 H new ATOM 0 HA HIS A 89 105.370 -11.290 5.681 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.571 -13.099 6.810 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.108 -12.257 7.282 1.00 0.00 H new ATOM 0 HD2 HIS A 89 101.013 -13.747 6.267 1.00 0.00 H new ATOM 0 HE1 HIS A 89 102.665 -14.671 2.493 1.00 0.00 H new ATOM 0 HE2 HIS A 89 100.580 -14.937 3.957 1.00 0.00 H new ATOM 1445 N ILE A 90 104.394 -11.370 3.396 1.00 0.00 N ATOM 1446 CA ILE A 90 103.934 -11.215 2.019 1.00 0.00 C ATOM 1447 C ILE A 90 104.420 -12.388 1.172 1.00 0.00 C ATOM 1448 O ILE A 90 105.531 -12.888 1.351 1.00 0.00 O ATOM 1449 CB ILE A 90 104.426 -9.885 1.447 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.079 -9.803 -0.044 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.941 -9.774 1.635 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.406 -8.404 -0.577 1.00 0.00 C ATOM 0 H ILE A 90 105.311 -11.808 3.483 1.00 0.00 H new ATOM 0 HA ILE A 90 102.844 -11.209 2.003 1.00 0.00 H new ATOM 0 HB ILE A 90 103.938 -9.064 1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.641 -10.554 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 90 103.021 -10.021 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.290 -8.825 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.180 -9.822 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.433 -10.596 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.158 -8.351 -1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.825 -7.661 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.469 -8.203 -0.443 1.00 0.00 H new ATOM 1464 N ASP A 91 103.549 -12.840 0.271 1.00 0.00 N ATOM 1465 CA ASP A 91 103.855 -13.983 -0.589 1.00 0.00 C ATOM 1466 C ASP A 91 105.158 -13.790 -1.366 1.00 0.00 C ATOM 1467 O ASP A 91 105.478 -12.692 -1.820 1.00 0.00 O ATOM 1468 CB ASP A 91 102.700 -14.223 -1.567 1.00 0.00 C ATOM 1469 CG ASP A 91 102.624 -15.701 -1.937 1.00 0.00 C ATOM 1470 OD1 ASP A 91 103.671 -16.308 -2.089 1.00 0.00 O ATOM 1471 OD2 ASP A 91 101.520 -16.205 -2.062 1.00 0.00 O ATOM 0 H ASP A 91 102.626 -12.433 0.117 1.00 0.00 H new ATOM 0 HA ASP A 91 103.983 -14.852 0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.760 -13.904 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.843 -13.622 -2.465 1.00 0.00 H new ATOM 1476 N LEU A 92 105.898 -14.886 -1.500 1.00 0.00 N ATOM 1477 CA LEU A 92 107.173 -14.861 -2.211 1.00 0.00 C ATOM 1478 C LEU A 92 106.979 -14.280 -3.610 1.00 0.00 C ATOM 1479 O LEU A 92 107.787 -13.476 -4.074 1.00 0.00 O ATOM 1480 CB LEU A 92 107.748 -16.278 -2.312 1.00 0.00 C ATOM 1481 CG LEU A 92 109.117 -16.240 -3.001 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.109 -15.433 -2.154 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.636 -17.671 -3.164 1.00 0.00 C ATOM 0 H LEU A 92 105.639 -15.800 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 92 107.872 -14.234 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.844 -16.712 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.066 -16.917 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 92 109.016 -15.767 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.079 -15.411 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.740 -14.414 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 92 110.214 -15.899 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.610 -17.651 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.732 -18.137 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 92 108.936 -18.245 -3.771 1.00 0.00 H new ATOM 1495 N ASP A 93 105.898 -14.679 -4.269 1.00 0.00 N ATOM 1496 CA ASP A 93 105.604 -14.176 -5.605 1.00 0.00 C ATOM 1497 C ASP A 93 105.231 -12.700 -5.524 1.00 0.00 C ATOM 1498 O ASP A 93 105.657 -11.893 -6.350 1.00 0.00 O ATOM 1499 CB ASP A 93 104.452 -14.968 -6.228 1.00 0.00 C ATOM 1500 CG ASP A 93 104.839 -16.438 -6.361 1.00 0.00 C ATOM 1501 OD1 ASP A 93 104.853 -17.120 -5.349 1.00 0.00 O ATOM 1502 OD2 ASP A 93 105.113 -16.860 -7.472 1.00 0.00 O ATOM 0 H ASP A 93 105.216 -15.344 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 93 106.489 -14.293 -6.231 1.00 0.00 H new ATOM 0 HB2 ASP A 93 103.559 -14.873 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 93 104.207 -14.558 -7.208 1.00 0.00 H new ATOM 1507 N SER A 94 104.440 -12.356 -4.511 1.00 0.00 N ATOM 1508 CA SER A 94 104.023 -10.973 -4.314 1.00 0.00 C ATOM 1509 C SER A 94 105.243 -10.093 -4.078 1.00 0.00 C ATOM 1510 O SER A 94 105.302 -8.953 -4.539 1.00 0.00 O ATOM 1511 CB SER A 94 103.090 -10.876 -3.109 1.00 0.00 C ATOM 1512 OG SER A 94 101.795 -11.331 -3.481 1.00 0.00 O ATOM 0 H SER A 94 104.078 -13.012 -3.819 1.00 0.00 H new ATOM 0 HA SER A 94 103.497 -10.634 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 94 103.477 -11.477 -2.286 1.00 0.00 H new ATOM 0 HB3 SER A 94 103.039 -9.846 -2.756 1.00 0.00 H new ATOM 0 HG SER A 94 101.870 -12.200 -3.929 1.00 0.00 H new ATOM 1518 N ILE A 95 106.215 -10.640 -3.359 1.00 0.00 N ATOM 1519 CA ILE A 95 107.440 -9.911 -3.063 1.00 0.00 C ATOM 1520 C ILE A 95 108.128 -9.503 -4.356 1.00 0.00 C ATOM 1521 O ILE A 95 108.696 -8.416 -4.452 1.00 0.00 O ATOM 1522 CB ILE A 95 108.387 -10.786 -2.232 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.887 -10.849 -0.786 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.799 -10.189 -2.253 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.666 -11.916 -0.009 1.00 0.00 C ATOM 0 H ILE A 95 106.179 -11.583 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 95 107.186 -9.017 -2.493 1.00 0.00 H new ATOM 0 HB ILE A 95 108.412 -11.790 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 95 108.009 -9.877 -0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.822 -11.081 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.467 -10.814 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.160 -10.144 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.775 -9.184 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.304 -11.954 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.522 -12.888 -0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.727 -11.666 -0.011 1.00 0.00 H new ATOM 1537 N SER A 96 108.082 -10.386 -5.347 1.00 0.00 N ATOM 1538 CA SER A 96 108.721 -10.093 -6.620 1.00 0.00 C ATOM 1539 C SER A 96 107.954 -9.011 -7.371 1.00 0.00 C ATOM 1540 O SER A 96 108.560 -8.152 -8.011 1.00 0.00 O ATOM 1541 CB SER A 96 108.838 -11.351 -7.475 1.00 0.00 C ATOM 1542 OG SER A 96 110.152 -11.441 -8.010 1.00 0.00 O ATOM 0 H SER A 96 107.618 -11.293 -5.295 1.00 0.00 H new ATOM 0 HA SER A 96 109.726 -9.726 -6.414 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.617 -12.233 -6.874 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.106 -11.324 -8.282 1.00 0.00 H new ATOM 0 HG SER A 96 110.227 -12.250 -8.558 1.00 0.00 H new ATOM 1548 N HIS A 97 106.631 -9.038 -7.291 1.00 0.00 N ATOM 1549 CA HIS A 97 105.848 -8.024 -7.978 1.00 0.00 C ATOM 1550 C HIS A 97 106.111 -6.664 -7.335 1.00 0.00 C ATOM 1551 O HIS A 97 106.220 -5.652 -8.023 1.00 0.00 O ATOM 1552 CB HIS A 97 104.361 -8.362 -7.930 1.00 0.00 C ATOM 1553 CG HIS A 97 104.036 -9.425 -8.939 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.816 -9.132 -10.275 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.870 -10.782 -8.820 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.531 -10.286 -10.902 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.551 -11.324 -10.060 1.00 0.00 N ATOM 0 H HIS A 97 106.091 -9.730 -6.773 1.00 0.00 H new ATOM 0 HA HIS A 97 106.147 -7.992 -9.026 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.091 -8.704 -6.931 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.771 -7.468 -8.131 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.972 -11.343 -7.903 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.313 -10.365 -11.957 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.371 -12.304 -10.280 1.00 0.00 H new