USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 713 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 106 CYS SG : rot -21:sc= -0.0668 USER MOD Set 1.2: A 133 GLN :FLIP amide:sc= -0.703 F(o=-2.4!,f=-0.77) USER MOD Set 2.1: A 96 GLN :FLIP amide:sc= -0.238 F(o=-2.7,f=-1.9) USER MOD Set 2.2: A 99 CYS SG : rot 36:sc= -1.66! USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.119 USER MOD Set 3.2: A 76 HIS :FLIP no HD1:sc= -1.45 F(o=-2.4!,f=-1.3) USER MOD Set 4.1: A 57 THR OG1 : rot 102:sc= 1.3 USER MOD Set 4.2: A 128 HIS : no HE2:sc= -2.42! C(o=-1.1!,f=-1.1!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -142:sc= -9.18! (180deg=-12.3!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.75) USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= 1.18 (180deg=1.11) USER MOD Single : A 52 THR OG1 : rot -40:sc= 0.184 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= -0.0638 (180deg=-0.399) USER MOD Single : A 60 GLN : amide:sc= -1.38! C(o=-1.4!,f=-4.8!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.0645 F(o=-0.8,f=-0.065) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= -0.0111 (180deg=-0.126) USER MOD Single : A 71 GLN :FLIP amide:sc= -8.42! C(o=-9.2!,f=-8.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 82 MET CE :methyl -160:sc= -0.499 (180deg=-1.21) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.16 F(o=-2.1,f=-1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -0.124 (180deg=-0.469) USER MOD Single : A 100 MET CE :methyl -177:sc= -8.02! (180deg=-8.32!) USER MOD Single : A 101 SER OG : rot -15:sc= 0.38 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.395 -1.646 1.953 1.00 0.41 N ATOM 224 CA MET A 44 -12.826 -1.360 3.255 1.00 0.41 C ATOM 225 C MET A 44 -11.532 -0.568 3.119 1.00 0.31 C ATOM 226 O MET A 44 -11.387 0.470 3.741 1.00 0.28 O ATOM 227 CB MET A 44 -12.606 -2.658 4.039 1.00 0.50 C ATOM 228 CG MET A 44 -13.908 -3.310 4.497 1.00 0.82 C ATOM 229 SD MET A 44 -15.001 -3.737 3.122 1.00 1.59 S ATOM 230 CE MET A 44 -16.517 -4.143 3.983 1.00 1.62 C ATOM 0 HA MET A 44 -13.531 -0.744 3.814 1.00 0.41 H new ATOM 0 HB2 MET A 44 -12.054 -3.362 3.417 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.986 -2.448 4.910 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.677 -4.211 5.065 1.00 0.82 H new ATOM 0 HG3 MET A 44 -14.430 -2.632 5.173 1.00 0.82 H new ATOM 0 HE1 MET A 44 -17.282 -4.426 3.260 1.00 1.62 H new ATOM 0 HE2 MET A 44 -16.337 -4.974 4.664 1.00 1.62 H new ATOM 0 HE3 MET A 44 -16.857 -3.276 4.550 1.00 1.62 H new ATOM 240 N MET A 45 -10.593 -1.038 2.301 1.00 0.28 N ATOM 241 CA MET A 45 -9.370 -0.269 2.054 1.00 0.22 C ATOM 242 C MET A 45 -9.683 1.034 1.335 1.00 0.20 C ATOM 243 O MET A 45 -8.982 2.020 1.499 1.00 0.20 O ATOM 244 CB MET A 45 -8.346 -1.058 1.237 1.00 0.24 C ATOM 245 CG MET A 45 -8.847 -1.441 -0.136 1.00 0.32 C ATOM 246 SD MET A 45 -7.755 -2.574 -1.002 1.00 0.98 S ATOM 247 CE MET A 45 -6.353 -1.514 -1.284 1.00 0.22 C ATOM 0 H MET A 45 -10.649 -1.928 1.806 1.00 0.28 H new ATOM 0 HA MET A 45 -8.938 -0.055 3.031 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.438 -0.463 1.133 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.074 -1.962 1.783 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.832 -1.898 -0.041 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.971 -0.538 -0.734 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.931 -1.722 -2.267 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.670 -0.472 -1.238 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.598 -1.698 -0.519 1.00 0.22 H new ATOM 257 N SER A 46 -10.711 1.041 0.516 1.00 0.24 N ATOM 258 CA SER A 46 -11.113 2.262 -0.147 1.00 0.30 C ATOM 259 C SER A 46 -11.419 3.348 0.890 1.00 0.27 C ATOM 260 O SER A 46 -10.976 4.490 0.756 1.00 0.30 O ATOM 261 CB SER A 46 -12.309 1.999 -1.060 1.00 0.39 C ATOM 262 OG SER A 46 -12.513 3.073 -1.962 1.00 0.53 O ATOM 0 H SER A 46 -11.279 0.224 0.294 1.00 0.24 H new ATOM 0 HA SER A 46 -10.294 2.619 -0.771 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.147 1.077 -1.619 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.205 1.853 -0.457 1.00 0.39 H new ATOM 0 HG SER A 46 -13.283 2.877 -2.535 1.00 0.53 H new ATOM 268 N GLN A 47 -12.169 3.000 1.927 1.00 0.25 N ATOM 269 CA GLN A 47 -12.396 3.938 3.017 1.00 0.27 C ATOM 270 C GLN A 47 -11.181 4.023 3.954 1.00 0.24 C ATOM 271 O GLN A 47 -10.729 5.114 4.286 1.00 0.29 O ATOM 272 CB GLN A 47 -13.684 3.623 3.794 1.00 0.30 C ATOM 273 CG GLN A 47 -13.675 2.311 4.559 1.00 0.33 C ATOM 274 CD GLN A 47 -14.977 2.075 5.298 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.662 3.021 5.687 1.00 1.10 O ATOM 276 NE2 GLN A 47 -15.321 0.817 5.506 1.00 1.11 N ATOM 0 H GLN A 47 -12.623 2.093 2.036 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.530 4.920 2.564 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.872 4.434 4.498 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.518 3.610 3.093 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.497 1.489 3.866 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.849 2.312 5.271 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.724 0.062 5.167 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.183 0.600 6.006 1.00 1.11 H new ATOM 285 N ALA A 48 -10.650 2.875 4.377 1.00 0.21 N ATOM 286 CA ALA A 48 -9.558 2.849 5.347 1.00 0.22 C ATOM 287 C ALA A 48 -8.249 3.343 4.760 1.00 0.20 C ATOM 288 O ALA A 48 -7.676 4.295 5.266 1.00 0.22 O ATOM 289 CB ALA A 48 -9.358 1.448 5.909 1.00 0.24 C ATOM 0 H ALA A 48 -10.958 1.955 4.064 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.848 3.528 6.149 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.539 1.458 6.628 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.272 1.121 6.404 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.119 0.761 5.097 1.00 0.24 H new ATOM 295 N LEU A 49 -7.801 2.737 3.667 1.00 0.18 N ATOM 296 CA LEU A 49 -6.479 3.017 3.120 1.00 0.18 C ATOM 297 C LEU A 49 -6.425 4.388 2.502 1.00 0.19 C ATOM 298 O LEU A 49 -5.577 5.205 2.847 1.00 0.21 O ATOM 299 CB LEU A 49 -6.117 2.017 2.027 1.00 0.23 C ATOM 300 CG LEU A 49 -4.986 1.057 2.343 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.532 0.407 1.061 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.827 1.757 3.040 1.00 0.58 C ATOM 0 H LEU A 49 -8.336 2.046 3.141 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.778 2.947 3.952 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.006 1.432 1.790 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.852 2.574 1.128 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.350 0.297 3.034 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.718 -0.287 1.273 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.365 -0.136 0.614 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.184 1.173 0.368 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.038 1.034 3.249 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.437 2.544 2.395 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.176 2.194 3.976 1.00 0.58 H new ATOM 314 N LYS A 50 -7.319 4.620 1.559 1.00 0.19 N ATOM 315 CA LYS A 50 -7.285 5.830 0.768 1.00 0.21 C ATOM 316 C LYS A 50 -7.377 7.068 1.670 1.00 0.23 C ATOM 317 O LYS A 50 -6.801 8.118 1.377 1.00 0.27 O ATOM 318 CB LYS A 50 -8.400 5.803 -0.279 1.00 0.22 C ATOM 319 CG LYS A 50 -8.448 4.494 -1.062 1.00 0.20 C ATOM 320 CD LYS A 50 -7.132 4.211 -1.783 1.00 0.21 C ATOM 321 CE LYS A 50 -6.936 5.125 -2.981 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.647 4.622 -4.185 1.00 0.55 N ATOM 0 H LYS A 50 -8.079 3.982 1.324 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.333 5.886 0.240 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.359 5.961 0.215 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.259 6.631 -0.974 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.673 3.673 -0.382 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.258 4.536 -1.790 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.302 4.340 -1.088 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.114 3.172 -2.112 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.297 6.124 -2.738 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -5.872 5.214 -3.199 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.885 5.421 -4.807 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.034 3.956 -4.697 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.520 4.137 -3.895 1.00 0.55 H new ATOM 336 N ALA A 51 -8.102 6.919 2.774 1.00 0.22 N ATOM 337 CA ALA A 51 -8.184 7.960 3.791 1.00 0.23 C ATOM 338 C ALA A 51 -6.947 7.973 4.692 1.00 0.23 C ATOM 339 O ALA A 51 -6.446 9.036 5.054 1.00 0.26 O ATOM 340 CB ALA A 51 -9.443 7.799 4.627 1.00 0.25 C ATOM 0 H ALA A 51 -8.644 6.082 2.987 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.227 8.917 3.271 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.483 8.587 5.379 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.319 7.868 3.982 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.431 6.827 5.120 1.00 0.25 H new ATOM 346 N THR A 52 -6.452 6.785 5.046 1.00 0.21 N ATOM 347 CA THR A 52 -5.385 6.647 6.039 1.00 0.22 C ATOM 348 C THR A 52 -4.020 7.056 5.497 1.00 0.21 C ATOM 349 O THR A 52 -3.069 7.180 6.262 1.00 0.23 O ATOM 350 CB THR A 52 -5.279 5.190 6.556 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.530 5.151 7.775 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.604 4.283 5.527 1.00 0.18 C ATOM 0 H THR A 52 -6.776 5.900 4.657 1.00 0.21 H new ATOM 0 HA THR A 52 -5.658 7.319 6.853 1.00 0.22 H new ATOM 0 HB THR A 52 -6.292 4.829 6.731 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.770 5.767 7.712 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.545 3.268 5.920 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.186 4.282 4.605 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.599 4.651 5.321 1.00 0.18 H new ATOM 360 N PHE A 53 -3.926 7.279 4.193 1.00 0.23 N ATOM 361 CA PHE A 53 -2.632 7.467 3.546 1.00 0.27 C ATOM 362 C PHE A 53 -1.796 8.559 4.194 1.00 0.32 C ATOM 363 O PHE A 53 -0.568 8.478 4.194 1.00 0.34 O ATOM 364 CB PHE A 53 -2.791 7.768 2.062 1.00 0.31 C ATOM 365 CG PHE A 53 -3.201 6.579 1.258 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.700 5.324 1.552 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.090 6.711 0.215 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.078 4.224 0.814 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.472 5.613 -0.524 1.00 0.39 C ATOM 370 CZ PHE A 53 -3.965 4.367 -0.226 1.00 0.38 C ATOM 0 H PHE A 53 -4.727 7.334 3.563 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.102 6.523 3.672 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.533 8.556 1.936 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.848 8.153 1.674 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.004 5.205 2.370 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.492 7.684 -0.026 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.678 3.250 1.053 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.171 5.729 -1.339 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.263 3.507 -0.807 1.00 0.38 H new ATOM 380 N SER A 54 -2.452 9.561 4.762 1.00 0.36 N ATOM 381 CA SER A 54 -1.749 10.652 5.414 1.00 0.44 C ATOM 382 C SER A 54 -0.947 10.150 6.618 1.00 0.39 C ATOM 383 O SER A 54 -0.034 10.821 7.079 1.00 0.46 O ATOM 384 CB SER A 54 -2.745 11.731 5.838 1.00 0.55 C ATOM 385 OG SER A 54 -3.467 12.210 4.715 1.00 1.37 O ATOM 0 H SER A 54 -3.469 9.639 4.784 1.00 0.36 H new ATOM 0 HA SER A 54 -1.043 11.083 4.704 1.00 0.44 H new ATOM 0 HB2 SER A 54 -3.437 11.326 6.576 1.00 0.55 H new ATOM 0 HB3 SER A 54 -2.216 12.555 6.316 1.00 0.55 H new ATOM 0 HG SER A 54 -4.102 12.899 5.004 1.00 1.37 H new ATOM 391 N GLY A 55 -1.303 8.972 7.125 1.00 0.31 N ATOM 392 CA GLY A 55 -0.569 8.364 8.221 1.00 0.28 C ATOM 393 C GLY A 55 0.916 8.205 7.938 1.00 0.22 C ATOM 394 O GLY A 55 1.750 8.839 8.589 1.00 0.25 O ATOM 0 H GLY A 55 -2.096 8.423 6.791 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.698 8.972 9.116 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.997 7.385 8.436 1.00 0.28 H new ATOM 398 N PHE A 56 1.257 7.362 6.970 1.00 0.15 N ATOM 399 CA PHE A 56 2.663 7.116 6.656 1.00 0.12 C ATOM 400 C PHE A 56 3.244 8.277 5.886 1.00 0.13 C ATOM 401 O PHE A 56 4.346 8.704 6.159 1.00 0.17 O ATOM 402 CB PHE A 56 2.866 5.838 5.846 1.00 0.13 C ATOM 403 CG PHE A 56 4.314 5.563 5.563 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.130 5.013 6.533 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.848 5.824 4.313 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.453 4.730 6.266 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.171 5.546 4.040 1.00 0.26 C ATOM 408 CZ PHE A 56 7.007 5.115 5.064 1.00 0.28 C ATOM 0 H PHE A 56 0.592 6.844 6.396 1.00 0.15 H new ATOM 0 HA PHE A 56 3.176 7.000 7.611 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.439 4.995 6.389 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.324 5.918 4.904 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.727 4.802 7.512 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.222 6.250 3.543 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.053 4.208 6.997 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.555 5.662 3.037 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.077 5.082 4.919 1.00 0.28 H new ATOM 418 N THR A 57 2.478 8.791 4.943 1.00 0.16 N ATOM 419 CA THR A 57 2.939 9.876 4.075 1.00 0.24 C ATOM 420 C THR A 57 3.387 11.095 4.895 1.00 0.26 C ATOM 421 O THR A 57 4.245 11.868 4.473 1.00 0.35 O ATOM 422 CB THR A 57 1.832 10.300 3.106 1.00 0.32 C ATOM 423 OG1 THR A 57 1.251 9.136 2.500 1.00 0.39 O ATOM 424 CG2 THR A 57 2.379 11.210 2.021 1.00 0.46 C ATOM 0 H THR A 57 1.526 8.477 4.752 1.00 0.16 H new ATOM 0 HA THR A 57 3.792 9.499 3.510 1.00 0.24 H new ATOM 0 HB THR A 57 1.074 10.845 3.669 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.395 8.934 2.933 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.573 11.497 1.346 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.806 12.103 2.477 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.152 10.684 1.460 1.00 0.46 H new ATOM 432 N LYS A 58 2.831 11.218 6.094 1.00 0.24 N ATOM 433 CA LYS A 58 3.159 12.324 6.981 1.00 0.31 C ATOM 434 C LYS A 58 4.501 12.067 7.654 1.00 0.29 C ATOM 435 O LYS A 58 5.345 12.959 7.754 1.00 0.31 O ATOM 436 CB LYS A 58 2.073 12.501 8.036 1.00 0.39 C ATOM 437 CG LYS A 58 2.309 13.664 8.977 1.00 0.50 C ATOM 438 CD LYS A 58 1.212 13.748 10.018 1.00 1.34 C ATOM 439 CE LYS A 58 1.395 14.951 10.919 1.00 1.93 C ATOM 440 NZ LYS A 58 1.371 16.224 10.154 1.00 2.52 N ATOM 0 H LYS A 58 2.149 10.562 6.474 1.00 0.24 H new ATOM 0 HA LYS A 58 3.223 13.238 6.391 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.115 12.641 7.536 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.996 11.584 8.621 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.275 13.549 9.469 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.349 14.594 8.410 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.243 13.807 9.523 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.209 12.839 10.619 1.00 1.34 H new ATOM 0 HE2 LYS A 58 0.606 14.965 11.671 1.00 1.93 H new ATOM 0 HE3 LYS A 58 2.342 14.865 11.452 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 1.193 17.016 10.804 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 2.287 16.363 9.682 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 0.616 16.186 9.440 1.00 2.52 H new ATOM 454 N GLU A 59 4.700 10.831 8.089 1.00 0.26 N ATOM 455 CA GLU A 59 5.924 10.459 8.776 1.00 0.25 C ATOM 456 C GLU A 59 7.007 10.145 7.749 1.00 0.21 C ATOM 457 O GLU A 59 8.188 10.154 8.056 1.00 0.24 O ATOM 458 CB GLU A 59 5.693 9.253 9.691 1.00 0.31 C ATOM 459 CG GLU A 59 6.206 7.949 9.111 1.00 0.43 C ATOM 460 CD GLU A 59 5.902 6.761 10.000 1.00 0.76 C ATOM 461 OE1 GLU A 59 6.659 6.517 10.962 1.00 0.98 O ATOM 462 OE2 GLU A 59 4.887 6.076 9.753 1.00 0.97 O ATOM 0 H GLU A 59 4.029 10.071 7.978 1.00 0.26 H new ATOM 0 HA GLU A 59 6.245 11.294 9.398 1.00 0.25 H new ATOM 0 HB2 GLU A 59 6.182 9.434 10.648 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.626 9.158 9.892 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.757 7.790 8.130 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.283 8.020 8.961 1.00 0.43 H new ATOM 469 N GLN A 60 6.577 9.850 6.533 1.00 0.19 N ATOM 470 CA GLN A 60 7.474 9.601 5.417 1.00 0.19 C ATOM 471 C GLN A 60 8.372 10.804 5.247 1.00 0.22 C ATOM 472 O GLN A 60 9.586 10.692 5.157 1.00 0.23 O ATOM 473 CB GLN A 60 6.645 9.377 4.153 1.00 0.21 C ATOM 474 CG GLN A 60 7.356 8.628 3.048 1.00 0.28 C ATOM 475 CD GLN A 60 6.409 8.280 1.916 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.207 8.112 2.125 1.00 0.90 O ATOM 477 NE2 GLN A 60 6.938 8.168 0.716 1.00 0.26 N ATOM 0 H GLN A 60 5.589 9.776 6.291 1.00 0.19 H new ATOM 0 HA GLN A 60 8.083 8.716 5.602 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.742 8.828 4.421 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.327 10.346 3.769 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.176 9.235 2.664 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.796 7.715 3.450 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.939 8.315 0.584 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.347 7.934 -0.082 1.00 0.26 H new ATOM 486 N GLN A 61 7.740 11.960 5.261 1.00 0.28 N ATOM 487 CA GLN A 61 8.442 13.234 5.200 1.00 0.34 C ATOM 488 C GLN A 61 9.353 13.389 6.414 1.00 0.34 C ATOM 489 O GLN A 61 10.455 13.930 6.323 1.00 0.37 O ATOM 490 CB GLN A 61 7.431 14.377 5.169 1.00 0.45 C ATOM 491 CG GLN A 61 6.415 14.266 4.041 1.00 0.58 C ATOM 492 CD GLN A 61 7.060 14.212 2.667 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.373 13.012 2.204 1.00 1.23 O flip ATOM 494 NE2 GLN A 61 7.276 15.239 2.026 1.00 1.12 N flip ATOM 0 H GLN A 61 6.725 12.047 5.315 1.00 0.28 H new ATOM 0 HA GLN A 61 9.048 13.261 4.295 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.901 14.407 6.121 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.967 15.321 5.072 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.812 13.370 4.189 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.736 15.118 4.085 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.021 16.146 2.416 1.00 1.12 H new ATOM 0 HE22 GLN A 61 7.710 15.183 1.105 1.00 1.12 H new ATOM 503 N ARG A 62 8.875 12.889 7.547 1.00 0.34 N ATOM 504 CA ARG A 62 9.589 12.980 8.813 1.00 0.39 C ATOM 505 C ARG A 62 10.830 12.088 8.807 1.00 0.36 C ATOM 506 O ARG A 62 11.912 12.514 9.202 1.00 0.41 O ATOM 507 CB ARG A 62 8.656 12.570 9.952 1.00 0.44 C ATOM 508 CG ARG A 62 9.202 12.870 11.335 1.00 0.58 C ATOM 509 CD ARG A 62 9.142 14.358 11.642 1.00 1.13 C ATOM 510 NE ARG A 62 7.765 14.852 11.695 1.00 1.93 N ATOM 511 CZ ARG A 62 7.327 15.741 12.585 1.00 2.74 C ATOM 512 NH1 ARG A 62 8.173 16.307 13.435 1.00 2.99 N ATOM 513 NH2 ARG A 62 6.047 16.085 12.607 1.00 3.73 N ATOM 0 H ARG A 62 7.978 12.408 7.613 1.00 0.34 H new ATOM 0 HA ARG A 62 9.914 14.010 8.957 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.702 13.084 9.830 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.454 11.502 9.876 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.630 12.319 12.082 1.00 0.58 H new ATOM 0 HG3 ARG A 62 10.233 12.524 11.404 1.00 0.58 H new ATOM 0 HD2 ARG A 62 9.634 14.552 12.595 1.00 1.13 H new ATOM 0 HD3 ARG A 62 9.695 14.908 10.881 1.00 1.13 H new ATOM 0 HE ARG A 62 7.101 14.494 11.009 1.00 1.93 H new ATOM 0 HH11 ARG A 62 9.163 16.062 13.409 1.00 2.99 H new ATOM 0 HH12 ARG A 62 7.834 16.987 14.115 1.00 2.99 H new ATOM 0 HH21 ARG A 62 5.396 15.669 11.942 1.00 3.73 H new ATOM 0 HH22 ARG A 62 5.714 16.766 13.289 1.00 3.73 H new ATOM 527 N LEU A 63 10.658 10.856 8.339 1.00 0.30 N ATOM 528 CA LEU A 63 11.745 9.883 8.248 1.00 0.32 C ATOM 529 C LEU A 63 12.655 10.188 7.079 1.00 0.31 C ATOM 530 O LEU A 63 13.599 9.449 6.800 1.00 0.37 O ATOM 531 CB LEU A 63 11.180 8.466 8.124 1.00 0.33 C ATOM 532 CG LEU A 63 10.337 7.994 9.311 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.767 6.611 9.037 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.162 7.989 10.591 1.00 0.65 C ATOM 0 H LEU A 63 9.759 10.502 8.011 1.00 0.30 H new ATOM 0 HA LEU A 63 12.335 9.951 9.162 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.570 8.413 7.222 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.010 7.772 7.989 1.00 0.33 H new ATOM 0 HG LEU A 63 9.509 8.691 9.444 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.170 6.288 9.890 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.139 6.646 8.147 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.583 5.906 8.878 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.543 7.650 11.422 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.012 7.316 10.474 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.523 8.997 10.795 1.00 0.65 H new ATOM 546 N GLY A 64 12.368 11.289 6.405 1.00 0.28 N ATOM 547 CA GLY A 64 13.169 11.697 5.271 1.00 0.30 C ATOM 548 C GLY A 64 13.029 10.718 4.139 1.00 0.27 C ATOM 549 O GLY A 64 13.928 10.560 3.311 1.00 0.33 O ATOM 0 H GLY A 64 11.590 11.911 6.624 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.861 12.689 4.940 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.216 11.771 5.567 1.00 0.30 H new ATOM 553 N ILE A 65 11.891 10.048 4.118 1.00 0.22 N ATOM 554 CA ILE A 65 11.626 9.047 3.125 1.00 0.20 C ATOM 555 C ILE A 65 11.003 9.703 1.895 1.00 0.21 C ATOM 556 O ILE A 65 9.982 10.384 2.001 1.00 0.23 O ATOM 557 CB ILE A 65 10.692 7.931 3.652 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.313 7.244 4.870 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.416 6.908 2.558 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.523 6.051 5.370 1.00 0.20 C ATOM 0 H ILE A 65 11.135 10.188 4.788 1.00 0.22 H new ATOM 0 HA ILE A 65 12.576 8.580 2.864 1.00 0.20 H new ATOM 0 HB ILE A 65 9.748 8.387 3.952 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.322 6.919 4.617 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.405 7.971 5.677 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.758 6.130 2.945 1.00 0.19 H new ATOM 0 HG22 ILE A 65 9.937 7.401 1.712 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.355 6.460 2.233 1.00 0.19 H new ATOM 0 HD11 ILE A 65 11.026 5.618 6.234 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.521 6.372 5.656 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.452 5.304 4.579 1.00 0.20 H new ATOM 572 N PRO A 66 11.634 9.527 0.721 1.00 0.24 N ATOM 573 CA PRO A 66 11.128 10.071 -0.545 1.00 0.27 C ATOM 574 C PRO A 66 9.664 9.698 -0.771 1.00 0.22 C ATOM 575 O PRO A 66 9.268 8.585 -0.455 1.00 0.23 O ATOM 576 CB PRO A 66 12.005 9.404 -1.603 1.00 0.35 C ATOM 577 CG PRO A 66 13.237 8.943 -0.897 1.00 0.26 C ATOM 578 CD PRO A 66 12.891 8.784 0.555 1.00 0.31 C ATOM 0 HA PRO A 66 11.169 11.160 -0.568 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.485 8.565 -2.066 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.253 10.105 -2.400 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.587 7.999 -1.314 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.044 9.665 -1.022 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.769 7.734 0.820 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.676 9.185 1.196 1.00 0.31 H new ATOM 586 N LYS A 67 8.864 10.629 -1.285 1.00 0.25 N ATOM 587 CA LYS A 67 7.432 10.384 -1.499 1.00 0.27 C ATOM 588 C LYS A 67 7.173 9.180 -2.412 1.00 0.25 C ATOM 589 O LYS A 67 6.410 8.281 -2.061 1.00 0.36 O ATOM 590 CB LYS A 67 6.761 11.628 -2.085 1.00 0.43 C ATOM 591 CG LYS A 67 6.958 12.873 -1.238 1.00 1.04 C ATOM 592 CD LYS A 67 6.132 14.049 -1.742 1.00 1.15 C ATOM 593 CE LYS A 67 6.507 14.450 -3.161 1.00 1.67 C ATOM 594 NZ LYS A 67 7.928 14.873 -3.267 1.00 2.42 N ATOM 0 H LYS A 67 9.178 11.559 -1.562 1.00 0.25 H new ATOM 0 HA LYS A 67 7.001 10.156 -0.524 1.00 0.27 H new ATOM 0 HB2 LYS A 67 7.158 11.810 -3.084 1.00 0.43 H new ATOM 0 HB3 LYS A 67 5.693 11.438 -2.196 1.00 0.43 H new ATOM 0 HG2 LYS A 67 6.684 12.655 -0.206 1.00 1.04 H new ATOM 0 HG3 LYS A 67 8.013 13.146 -1.237 1.00 1.04 H new ATOM 0 HD2 LYS A 67 5.074 13.789 -1.708 1.00 1.15 H new ATOM 0 HD3 LYS A 67 6.272 14.901 -1.077 1.00 1.15 H new ATOM 0 HE2 LYS A 67 6.328 13.611 -3.833 1.00 1.67 H new ATOM 0 HE3 LYS A 67 5.862 15.265 -3.489 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 8.096 15.295 -4.202 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 8.138 15.574 -2.528 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 8.546 14.046 -3.145 1.00 2.42 H new ATOM 608 N ASP A 68 7.801 9.172 -3.583 1.00 0.28 N ATOM 609 CA ASP A 68 7.630 8.077 -4.537 1.00 0.28 C ATOM 610 C ASP A 68 8.283 6.826 -4.011 1.00 0.21 C ATOM 611 O ASP A 68 9.094 6.877 -3.100 1.00 0.23 O ATOM 612 CB ASP A 68 8.250 8.424 -5.894 1.00 0.39 C ATOM 613 CG ASP A 68 7.505 9.506 -6.639 1.00 1.12 C ATOM 614 OD1 ASP A 68 6.539 9.174 -7.353 1.00 1.88 O ATOM 615 OD2 ASP A 68 7.911 10.685 -6.539 1.00 1.65 O ATOM 0 H ASP A 68 8.433 9.909 -3.896 1.00 0.28 H new ATOM 0 HA ASP A 68 6.560 7.915 -4.667 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.281 8.743 -5.742 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.281 7.526 -6.510 1.00 0.39 H new ATOM 620 N PRO A 69 7.913 5.674 -4.563 1.00 0.19 N ATOM 621 CA PRO A 69 8.568 4.416 -4.251 1.00 0.20 C ATOM 622 C PRO A 69 9.786 4.181 -5.126 1.00 0.26 C ATOM 623 O PRO A 69 10.724 3.531 -4.718 1.00 0.65 O ATOM 624 CB PRO A 69 7.490 3.400 -4.581 1.00 0.40 C ATOM 625 CG PRO A 69 6.746 4.005 -5.723 1.00 0.37 C ATOM 626 CD PRO A 69 6.787 5.495 -5.506 1.00 0.22 C ATOM 0 HA PRO A 69 8.933 4.373 -3.225 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.922 2.437 -4.854 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.834 3.225 -3.728 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.206 3.737 -6.674 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.718 3.644 -5.754 1.00 0.37 H new ATOM 0 HD2 PRO A 69 6.955 6.032 -6.439 1.00 0.22 H new ATOM 0 HD3 PRO A 69 5.851 5.866 -5.089 1.00 0.22 H new ATOM 634 N ARG A 70 9.781 4.816 -6.287 1.00 0.20 N ATOM 635 CA ARG A 70 10.671 4.492 -7.410 1.00 0.26 C ATOM 636 C ARG A 70 12.150 4.806 -7.137 1.00 0.19 C ATOM 637 O ARG A 70 12.985 4.730 -8.037 1.00 0.27 O ATOM 638 CB ARG A 70 10.179 5.245 -8.650 1.00 0.46 C ATOM 639 CG ARG A 70 8.717 4.952 -8.975 1.00 0.96 C ATOM 640 CD ARG A 70 7.904 6.227 -9.178 1.00 0.87 C ATOM 641 NE ARG A 70 8.240 6.903 -10.428 1.00 1.06 N ATOM 642 CZ ARG A 70 7.818 8.125 -10.766 1.00 1.29 C ATOM 643 NH1 ARG A 70 7.091 8.860 -9.929 1.00 1.89 N ATOM 644 NH2 ARG A 70 8.130 8.625 -11.953 1.00 1.79 N ATOM 0 H ARG A 70 9.147 5.589 -6.488 1.00 0.20 H new ATOM 0 HA ARG A 70 10.629 3.414 -7.566 1.00 0.26 H new ATOM 0 HB2 ARG A 70 10.304 6.316 -8.493 1.00 0.46 H new ATOM 0 HB3 ARG A 70 10.799 4.973 -9.505 1.00 0.46 H new ATOM 0 HG2 ARG A 70 8.662 4.341 -9.876 1.00 0.96 H new ATOM 0 HG3 ARG A 70 8.277 4.368 -8.167 1.00 0.96 H new ATOM 0 HD2 ARG A 70 6.842 5.983 -9.173 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.079 6.904 -8.342 1.00 0.87 H new ATOM 0 HE ARG A 70 8.838 6.408 -11.089 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.846 8.493 -9.009 1.00 1.89 H new ATOM 0 HH12 ARG A 70 6.779 9.791 -10.207 1.00 1.89 H new ATOM 0 HH21 ARG A 70 8.691 8.077 -12.606 1.00 1.79 H new ATOM 0 HH22 ARG A 70 7.809 9.557 -12.214 1.00 1.79 H new ATOM 658 N GLN A 71 12.463 5.147 -5.901 1.00 0.16 N ATOM 659 CA GLN A 71 13.827 5.501 -5.522 1.00 0.16 C ATOM 660 C GLN A 71 14.122 5.117 -4.075 1.00 0.15 C ATOM 661 O GLN A 71 15.082 5.598 -3.472 1.00 0.18 O ATOM 662 CB GLN A 71 14.047 7.009 -5.707 1.00 0.20 C ATOM 663 CG GLN A 71 13.439 7.853 -4.596 1.00 0.38 C ATOM 664 CD GLN A 71 11.945 7.655 -4.466 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.538 6.620 -3.738 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.162 8.395 -5.048 1.00 0.29 N flip ATOM 0 H GLN A 71 11.790 5.188 -5.135 1.00 0.16 H new ATOM 0 HA GLN A 71 14.507 4.946 -6.168 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.117 7.208 -5.759 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.619 7.316 -6.661 1.00 0.20 H new ATOM 0 HG2 GLN A 71 13.919 7.602 -3.650 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.647 8.905 -4.789 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.514 9.179 -5.597 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.158 8.227 -4.984 1.00 0.29 H new ATOM 675 N TRP A 72 13.306 4.244 -3.521 1.00 0.12 N ATOM 676 CA TRP A 72 13.418 3.886 -2.121 1.00 0.11 C ATOM 677 C TRP A 72 14.523 2.874 -1.884 1.00 0.12 C ATOM 678 O TRP A 72 15.029 2.250 -2.809 1.00 0.14 O ATOM 679 CB TRP A 72 12.094 3.276 -1.662 1.00 0.11 C ATOM 680 CG TRP A 72 11.087 4.259 -1.184 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.268 5.581 -0.912 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.725 3.974 -0.905 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.088 6.131 -0.491 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.123 5.163 -0.480 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.956 2.822 -0.985 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.778 5.231 -0.131 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.629 2.887 -0.640 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.051 4.082 -0.220 1.00 0.10 C ATOM 0 H TRP A 72 12.555 3.767 -4.021 1.00 0.12 H new ATOM 0 HA TRP A 72 13.655 4.789 -1.559 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.665 2.710 -2.489 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.296 2.565 -0.861 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.202 6.115 -1.013 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.951 7.107 -0.228 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.394 1.891 -1.313 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.328 6.157 0.197 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.022 1.995 -0.695 1.00 0.10 H new ATOM 0 HH2 TRP A 72 6.003 4.099 0.041 1.00 0.10 H new ATOM 699 N THR A 73 14.938 2.764 -0.643 1.00 0.14 N ATOM 700 CA THR A 73 15.772 1.670 -0.220 1.00 0.15 C ATOM 701 C THR A 73 14.862 0.555 0.262 1.00 0.15 C ATOM 702 O THR A 73 13.669 0.802 0.463 1.00 0.16 O ATOM 703 CB THR A 73 16.718 2.103 0.916 1.00 0.18 C ATOM 704 OG1 THR A 73 15.955 2.573 2.038 1.00 0.19 O ATOM 705 CG2 THR A 73 17.648 3.212 0.449 1.00 0.21 C ATOM 0 H THR A 73 14.707 3.428 0.096 1.00 0.14 H new ATOM 0 HA THR A 73 16.390 1.335 -1.053 1.00 0.15 H new ATOM 0 HB THR A 73 17.313 1.238 1.209 1.00 0.18 H new ATOM 0 HG1 THR A 73 16.563 2.845 2.757 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.307 3.503 1.267 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.246 2.856 -0.390 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.058 4.073 0.135 1.00 0.21 H new ATOM 713 N GLU A 74 15.380 -0.647 0.435 1.00 0.17 N ATOM 714 CA GLU A 74 14.568 -1.733 0.970 1.00 0.20 C ATOM 715 C GLU A 74 13.956 -1.295 2.296 1.00 0.19 C ATOM 716 O GLU A 74 12.777 -1.525 2.549 1.00 0.28 O ATOM 717 CB GLU A 74 15.387 -3.016 1.161 1.00 0.29 C ATOM 718 CG GLU A 74 16.093 -3.504 -0.097 1.00 1.25 C ATOM 719 CD GLU A 74 17.385 -2.762 -0.361 1.00 1.79 C ATOM 720 OE1 GLU A 74 18.437 -3.172 0.175 1.00 1.99 O ATOM 721 OE2 GLU A 74 17.360 -1.781 -1.133 1.00 2.67 O ATOM 0 H GLU A 74 16.345 -0.898 0.218 1.00 0.17 H new ATOM 0 HA GLU A 74 13.779 -1.957 0.252 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.132 -2.845 1.938 1.00 0.29 H new ATOM 0 HB3 GLU A 74 14.726 -3.804 1.521 1.00 0.29 H new ATOM 0 HG2 GLU A 74 16.303 -4.569 -0.002 1.00 1.25 H new ATOM 0 HG3 GLU A 74 15.428 -3.385 -0.952 1.00 1.25 H new ATOM 728 N THR A 75 14.765 -0.626 3.113 1.00 0.18 N ATOM 729 CA THR A 75 14.313 -0.076 4.386 1.00 0.21 C ATOM 730 C THR A 75 13.113 0.859 4.196 1.00 0.17 C ATOM 731 O THR A 75 12.128 0.770 4.924 1.00 0.20 O ATOM 732 CB THR A 75 15.450 0.704 5.076 1.00 0.29 C ATOM 733 OG1 THR A 75 16.689 -0.004 4.923 1.00 0.47 O ATOM 734 CG2 THR A 75 15.158 0.899 6.558 1.00 0.47 C ATOM 0 H THR A 75 15.749 -0.451 2.911 1.00 0.18 H new ATOM 0 HA THR A 75 14.012 -0.917 5.011 1.00 0.21 H new ATOM 0 HB THR A 75 15.524 1.684 4.605 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.408 0.497 5.362 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.976 1.452 7.020 1.00 0.47 H new ATOM 0 HG22 THR A 75 14.230 1.458 6.675 1.00 0.47 H new ATOM 0 HG23 THR A 75 15.059 -0.073 7.040 1.00 0.47 H new ATOM 742 N HIS A 76 13.181 1.726 3.186 1.00 0.14 N ATOM 743 CA HIS A 76 12.118 2.704 2.955 1.00 0.12 C ATOM 744 C HIS A 76 10.859 2.002 2.452 1.00 0.10 C ATOM 745 O HIS A 76 9.741 2.307 2.887 1.00 0.10 O ATOM 746 CB HIS A 76 12.567 3.781 1.954 1.00 0.14 C ATOM 747 CG HIS A 76 13.553 4.761 2.516 1.00 0.15 C ATOM 748 ND1 HIS A 76 13.717 5.222 3.776 1.00 0.20 N flip ATOM 749 CD2 HIS A 76 14.505 5.407 1.749 1.00 0.16 C flip ATOM 750 CE1 HIS A 76 14.750 6.124 3.747 1.00 0.22 C flip ATOM 751 NE2 HIS A 76 15.208 6.217 2.516 1.00 0.19 N flip ATOM 0 H HIS A 76 13.953 1.772 2.521 1.00 0.14 H new ATOM 0 HA HIS A 76 11.895 3.196 3.902 1.00 0.12 H new ATOM 0 HB2 HIS A 76 13.009 3.294 1.085 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.690 4.324 1.602 1.00 0.14 H new ATOM 0 HD2 HIS A 76 14.650 5.270 0.688 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.128 6.671 4.598 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.976 6.814 2.208 1.00 0.19 H new ATOM 760 N VAL A 77 11.057 1.040 1.554 1.00 0.09 N ATOM 761 CA VAL A 77 9.976 0.245 1.037 1.00 0.07 C ATOM 762 C VAL A 77 9.292 -0.508 2.178 1.00 0.08 C ATOM 763 O VAL A 77 8.076 -0.455 2.310 1.00 0.08 O ATOM 764 CB VAL A 77 10.480 -0.745 -0.043 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.392 -1.741 -0.399 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.953 0.006 -1.297 1.00 0.08 C ATOM 0 H VAL A 77 11.972 0.800 1.173 1.00 0.09 H new ATOM 0 HA VAL A 77 9.252 0.910 0.567 1.00 0.07 H new ATOM 0 HB VAL A 77 11.330 -1.291 0.367 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.763 -2.429 -1.159 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.107 -2.302 0.491 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.523 -1.208 -0.785 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.302 -0.711 -2.040 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.125 0.583 -1.710 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.768 0.680 -1.032 1.00 0.08 H new ATOM 776 N ARG A 78 10.088 -1.170 3.024 1.00 0.09 N ATOM 777 CA ARG A 78 9.553 -1.936 4.153 1.00 0.11 C ATOM 778 C ARG A 78 8.724 -1.066 5.080 1.00 0.10 C ATOM 779 O ARG A 78 7.666 -1.484 5.544 1.00 0.14 O ATOM 780 CB ARG A 78 10.663 -2.565 4.980 1.00 0.18 C ATOM 781 CG ARG A 78 11.487 -3.610 4.258 1.00 0.37 C ATOM 782 CD ARG A 78 12.381 -4.334 5.243 1.00 0.40 C ATOM 783 NE ARG A 78 12.989 -3.405 6.201 1.00 1.11 N ATOM 784 CZ ARG A 78 14.100 -3.654 6.890 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.828 -4.735 6.635 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.507 -2.792 7.812 1.00 2.21 N ATOM 0 H ARG A 78 11.105 -1.190 2.948 1.00 0.09 H new ATOM 0 HA ARG A 78 8.927 -2.714 3.715 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.329 -1.775 5.327 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.221 -3.021 5.866 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.830 -4.322 3.759 1.00 0.37 H new ATOM 0 HG3 ARG A 78 12.092 -3.137 3.484 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.800 -5.084 5.780 1.00 0.40 H new ATOM 0 HD3 ARG A 78 13.164 -4.865 4.702 1.00 0.40 H new ATOM 0 HE ARG A 78 12.529 -2.507 6.349 1.00 1.11 H new ATOM 0 HH11 ARG A 78 14.537 -5.385 5.904 1.00 1.57 H new ATOM 0 HH12 ARG A 78 15.678 -4.915 7.170 1.00 1.57 H new ATOM 0 HH21 ARG A 78 13.969 -1.944 7.990 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.358 -2.977 8.343 1.00 2.21 H new ATOM 800 N ASP A 79 9.227 0.130 5.365 1.00 0.11 N ATOM 801 CA ASP A 79 8.535 1.078 6.236 1.00 0.12 C ATOM 802 C ASP A 79 7.116 1.295 5.757 1.00 0.11 C ATOM 803 O ASP A 79 6.148 1.156 6.516 1.00 0.12 O ATOM 804 CB ASP A 79 9.278 2.416 6.262 1.00 0.16 C ATOM 805 CG ASP A 79 10.349 2.460 7.333 1.00 0.57 C ATOM 806 OD1 ASP A 79 11.090 1.467 7.485 1.00 0.95 O ATOM 807 OD2 ASP A 79 10.453 3.484 8.039 1.00 1.05 O ATOM 0 H ASP A 79 10.118 0.469 5.003 1.00 0.11 H new ATOM 0 HA ASP A 79 8.511 0.663 7.244 1.00 0.12 H new ATOM 0 HB2 ASP A 79 9.734 2.594 5.288 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.564 3.222 6.432 1.00 0.16 H new ATOM 812 N TRP A 80 6.997 1.562 4.471 1.00 0.10 N ATOM 813 CA TRP A 80 5.715 1.832 3.866 1.00 0.09 C ATOM 814 C TRP A 80 4.934 0.535 3.718 1.00 0.09 C ATOM 815 O TRP A 80 3.705 0.502 3.844 1.00 0.09 O ATOM 816 CB TRP A 80 5.965 2.478 2.511 1.00 0.09 C ATOM 817 CG TRP A 80 4.868 2.293 1.535 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.758 3.059 1.375 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.803 1.260 0.561 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.006 2.560 0.340 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.634 1.453 -0.173 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.635 0.190 0.242 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.272 0.615 -1.214 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.275 -0.646 -0.787 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.103 -0.428 -1.510 1.00 0.10 C ATOM 0 H TRP A 80 7.784 1.597 3.823 1.00 0.10 H new ATOM 0 HA TRP A 80 5.125 2.505 4.488 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.130 3.546 2.656 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.883 2.068 2.090 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.506 3.925 1.969 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.124 2.949 0.007 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.548 0.020 0.794 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.363 0.780 -1.773 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.908 -1.484 -1.039 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.847 -1.096 -2.319 1.00 0.10 H new ATOM 836 N VAL A 81 5.684 -0.530 3.484 1.00 0.10 N ATOM 837 CA VAL A 81 5.140 -1.853 3.274 1.00 0.11 C ATOM 838 C VAL A 81 4.389 -2.312 4.515 1.00 0.11 C ATOM 839 O VAL A 81 3.192 -2.590 4.475 1.00 0.11 O ATOM 840 CB VAL A 81 6.291 -2.835 2.920 1.00 0.13 C ATOM 841 CG1 VAL A 81 6.070 -4.231 3.469 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.495 -2.896 1.417 1.00 0.14 C ATOM 0 H VAL A 81 6.702 -0.494 3.435 1.00 0.10 H new ATOM 0 HA VAL A 81 4.434 -1.832 2.444 1.00 0.11 H new ATOM 0 HB VAL A 81 7.189 -2.442 3.398 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.908 -4.869 3.188 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.996 -4.187 4.556 1.00 0.14 H new ATOM 0 HG13 VAL A 81 5.147 -4.642 3.059 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.305 -3.588 1.188 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.578 -3.239 0.939 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.749 -1.904 1.044 1.00 0.14 H new ATOM 852 N MET A 82 5.092 -2.359 5.623 1.00 0.11 N ATOM 853 CA MET A 82 4.489 -2.785 6.864 1.00 0.12 C ATOM 854 C MET A 82 3.530 -1.746 7.431 1.00 0.11 C ATOM 855 O MET A 82 2.771 -2.063 8.331 1.00 0.12 O ATOM 856 CB MET A 82 5.542 -3.179 7.887 1.00 0.15 C ATOM 857 CG MET A 82 6.428 -2.037 8.353 1.00 0.13 C ATOM 858 SD MET A 82 7.672 -2.580 9.540 1.00 0.49 S ATOM 859 CE MET A 82 6.639 -3.451 10.716 1.00 0.42 C ATOM 0 H MET A 82 6.078 -2.108 5.690 1.00 0.11 H new ATOM 0 HA MET A 82 3.896 -3.670 6.635 1.00 0.12 H new ATOM 0 HB2 MET A 82 5.043 -3.612 8.754 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.172 -3.959 7.459 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.922 -1.588 7.491 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.810 -1.262 8.806 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.165 -3.540 11.667 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.711 -2.898 10.865 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.411 -4.446 10.333 1.00 0.42 H new ATOM 869 N TRP A 83 3.559 -0.505 6.943 1.00 0.09 N ATOM 870 CA TRP A 83 2.616 0.488 7.453 1.00 0.09 C ATOM 871 C TRP A 83 1.185 0.174 7.019 1.00 0.09 C ATOM 872 O TRP A 83 0.324 -0.043 7.862 1.00 0.11 O ATOM 873 CB TRP A 83 2.994 1.912 7.028 1.00 0.09 C ATOM 874 CG TRP A 83 1.974 2.929 7.437 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.869 3.547 8.646 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.909 3.435 6.632 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.802 4.412 8.641 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.196 4.359 7.413 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.493 3.195 5.322 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.911 5.044 6.923 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.603 3.874 4.837 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.292 4.787 5.635 1.00 0.15 C ATOM 0 H TRP A 83 4.200 -0.173 6.222 1.00 0.09 H new ATOM 0 HA TRP A 83 2.669 0.436 8.540 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.957 2.174 7.466 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.117 1.943 5.945 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.528 3.381 9.485 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.509 4.998 9.423 1.00 0.14 H new ATOM 0 HE3 TRP A 83 1.021 2.489 4.699 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.449 5.752 7.536 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -0.934 3.697 3.824 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.147 5.304 5.226 1.00 0.15 H new ATOM 893 N ALA A 84 0.915 0.126 5.718 1.00 0.09 N ATOM 894 CA ALA A 84 -0.448 -0.168 5.269 1.00 0.10 C ATOM 895 C ALA A 84 -0.864 -1.514 5.832 1.00 0.10 C ATOM 896 O ALA A 84 -2.010 -1.727 6.237 1.00 0.12 O ATOM 897 CB ALA A 84 -0.555 -0.152 3.752 1.00 0.12 C ATOM 0 H ALA A 84 1.595 0.281 4.974 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.120 0.608 5.636 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.581 -0.374 3.457 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.275 0.833 3.378 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.114 -0.903 3.332 1.00 0.12 H new ATOM 903 N VAL A 85 0.113 -2.397 5.892 1.00 0.10 N ATOM 904 CA VAL A 85 -0.029 -3.688 6.523 1.00 0.11 C ATOM 905 C VAL A 85 -0.424 -3.572 8.000 1.00 0.13 C ATOM 906 O VAL A 85 -1.466 -4.078 8.396 1.00 0.14 O ATOM 907 CB VAL A 85 1.289 -4.487 6.361 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.478 -5.523 7.458 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.336 -5.152 4.999 1.00 0.14 C ATOM 0 H VAL A 85 1.039 -2.233 5.498 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.841 -4.221 6.028 1.00 0.11 H new ATOM 0 HB VAL A 85 2.109 -3.774 6.446 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.416 -6.055 7.298 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.503 -5.026 8.428 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.650 -6.232 7.435 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.267 -5.710 4.898 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.492 -5.834 4.898 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.283 -4.391 4.220 1.00 0.14 H new ATOM 919 N ASN A 86 0.381 -2.896 8.810 1.00 0.15 N ATOM 920 CA ASN A 86 0.173 -2.911 10.255 1.00 0.19 C ATOM 921 C ASN A 86 -1.091 -2.159 10.673 1.00 0.23 C ATOM 922 O ASN A 86 -1.644 -2.418 11.741 1.00 0.27 O ATOM 923 CB ASN A 86 1.408 -2.409 11.016 1.00 0.23 C ATOM 924 CG ASN A 86 1.450 -0.910 11.269 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.955 -0.130 10.337 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 1.953 -0.460 12.299 1.00 0.32 N flip ATOM 0 H ASN A 86 1.175 -2.337 8.498 1.00 0.15 H new ATOM 0 HA ASN A 86 0.022 -3.954 10.533 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.458 -2.924 11.975 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.299 -2.691 10.456 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.328 -1.095 13.003 1.00 0.32 H new ATOM 0 HD22 ASN A 86 1.994 0.548 12.448 1.00 0.32 H new ATOM 933 N GLU A 87 -1.556 -1.250 9.827 1.00 0.24 N ATOM 934 CA GLU A 87 -2.766 -0.492 10.123 1.00 0.31 C ATOM 935 C GLU A 87 -3.962 -1.384 9.866 1.00 0.28 C ATOM 936 O GLU A 87 -4.952 -1.381 10.597 1.00 0.35 O ATOM 937 CB GLU A 87 -2.859 0.758 9.250 1.00 0.38 C ATOM 938 CG GLU A 87 -1.663 1.681 9.373 1.00 1.23 C ATOM 939 CD GLU A 87 -1.478 2.230 10.772 1.00 1.35 C ATOM 940 OE1 GLU A 87 -2.393 2.914 11.273 1.00 1.08 O ATOM 941 OE2 GLU A 87 -0.428 1.961 11.387 1.00 2.15 O ATOM 0 H GLU A 87 -1.118 -1.020 8.935 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.743 -0.171 11.165 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.967 0.455 8.208 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -3.761 1.310 9.516 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -0.763 1.141 9.079 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -1.779 2.511 8.676 1.00 1.23 H new ATOM 948 N PHE A 88 -3.830 -2.160 8.803 1.00 0.23 N ATOM 949 CA PHE A 88 -4.835 -3.123 8.398 1.00 0.23 C ATOM 950 C PHE A 88 -4.737 -4.409 9.201 1.00 0.25 C ATOM 951 O PHE A 88 -5.535 -5.328 9.018 1.00 0.30 O ATOM 952 CB PHE A 88 -4.658 -3.434 6.924 1.00 0.24 C ATOM 953 CG PHE A 88 -5.562 -2.625 6.051 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.888 -2.994 5.887 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.100 -1.494 5.410 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.735 -2.244 5.098 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.941 -0.744 4.620 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.259 -1.118 4.463 1.00 0.45 C ATOM 0 H PHE A 88 -3.013 -2.137 8.192 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.817 -2.688 8.582 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.622 -3.248 6.639 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -4.849 -4.494 6.755 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.262 -3.878 6.382 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.069 -1.195 5.529 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.767 -2.538 4.979 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.568 0.139 4.122 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.918 -0.528 3.843 1.00 0.45 H new ATOM 968 N SER A 89 -3.748 -4.457 10.092 1.00 0.27 N ATOM 969 CA SER A 89 -3.460 -5.652 10.875 1.00 0.34 C ATOM 970 C SER A 89 -3.087 -6.823 9.961 1.00 0.36 C ATOM 971 O SER A 89 -3.463 -7.971 10.203 1.00 0.48 O ATOM 972 CB SER A 89 -4.654 -6.009 11.764 1.00 0.45 C ATOM 973 OG SER A 89 -4.992 -4.922 12.615 1.00 1.07 O ATOM 0 H SER A 89 -3.128 -3.671 10.289 1.00 0.27 H new ATOM 0 HA SER A 89 -2.605 -5.445 11.519 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.511 -6.270 11.143 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.416 -6.887 12.365 1.00 0.45 H new ATOM 0 HG SER A 89 -5.758 -5.170 13.174 1.00 1.07 H new ATOM 979 N LEU A 90 -2.321 -6.521 8.915 1.00 0.31 N ATOM 980 CA LEU A 90 -1.846 -7.534 7.978 1.00 0.40 C ATOM 981 C LEU A 90 -0.477 -7.986 8.405 1.00 0.59 C ATOM 982 O LEU A 90 0.239 -8.600 7.619 1.00 1.23 O ATOM 983 CB LEU A 90 -1.705 -6.954 6.566 1.00 0.33 C ATOM 984 CG LEU A 90 -2.761 -5.935 6.175 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.384 -5.303 4.854 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.136 -6.589 6.096 1.00 0.27 C ATOM 0 H LEU A 90 -2.014 -5.573 8.695 1.00 0.31 H new ATOM 0 HA LEU A 90 -2.565 -8.353 7.973 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.724 -6.488 6.479 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.733 -7.775 5.849 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.810 -5.157 6.937 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.141 -4.571 4.572 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.418 -4.807 4.950 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.321 -6.074 4.086 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.878 -5.842 5.815 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.119 -7.383 5.349 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.395 -7.010 7.067 1.00 0.27 H new ATOM 998 N LYS A 91 -0.092 -7.599 9.624 1.00 0.24 N ATOM 999 CA LYS A 91 1.252 -7.825 10.136 1.00 0.39 C ATOM 1000 C LYS A 91 1.564 -9.313 10.309 1.00 0.26 C ATOM 1001 O LYS A 91 1.765 -9.810 11.416 1.00 0.39 O ATOM 1002 CB LYS A 91 1.419 -7.059 11.452 1.00 0.78 C ATOM 1003 CG LYS A 91 2.860 -6.704 11.784 1.00 1.31 C ATOM 1004 CD LYS A 91 2.938 -5.538 12.765 1.00 1.49 C ATOM 1005 CE LYS A 91 2.272 -5.866 14.091 1.00 1.91 C ATOM 1006 NZ LYS A 91 2.367 -4.734 15.048 1.00 2.48 N ATOM 0 H LYS A 91 -0.708 -7.120 10.281 1.00 0.24 H new ATOM 0 HA LYS A 91 1.970 -7.452 9.406 1.00 0.39 H new ATOM 0 HB2 LYS A 91 0.832 -6.142 11.403 1.00 0.78 H new ATOM 0 HB3 LYS A 91 1.007 -7.658 12.264 1.00 0.78 H new ATOM 0 HG2 LYS A 91 3.361 -7.573 12.210 1.00 1.31 H new ATOM 0 HG3 LYS A 91 3.392 -6.446 10.868 1.00 1.31 H new ATOM 0 HD2 LYS A 91 3.982 -5.279 12.938 1.00 1.49 H new ATOM 0 HD3 LYS A 91 2.461 -4.662 12.326 1.00 1.49 H new ATOM 0 HE2 LYS A 91 1.224 -6.112 13.921 1.00 1.91 H new ATOM 0 HE3 LYS A 91 2.740 -6.750 14.525 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 1.902 -4.994 15.941 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 3.368 -4.516 15.230 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 1.898 -3.898 14.644 1.00 2.48 H new ATOM 1020 N GLY A 92 1.556 -10.007 9.188 1.00 0.26 N ATOM 1021 CA GLY A 92 2.080 -11.336 9.071 1.00 0.31 C ATOM 1022 C GLY A 92 2.822 -11.409 7.759 1.00 0.31 C ATOM 1023 O GLY A 92 3.065 -12.481 7.210 1.00 0.47 O ATOM 0 H GLY A 92 1.173 -9.644 8.315 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.747 -11.561 9.903 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.275 -12.071 9.099 1.00 0.31 H new ATOM 1027 N VAL A 93 3.201 -10.221 7.287 1.00 0.21 N ATOM 1028 CA VAL A 93 3.825 -10.042 5.995 1.00 0.21 C ATOM 1029 C VAL A 93 5.247 -10.572 6.031 1.00 0.20 C ATOM 1030 O VAL A 93 5.948 -10.408 7.032 1.00 0.22 O ATOM 1031 CB VAL A 93 3.797 -8.537 5.602 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.188 -7.966 5.348 1.00 0.21 C ATOM 1033 CG2 VAL A 93 2.924 -8.335 4.385 1.00 0.23 C ATOM 0 H VAL A 93 3.078 -9.351 7.805 1.00 0.21 H new ATOM 0 HA VAL A 93 3.272 -10.603 5.241 1.00 0.21 H new ATOM 0 HB VAL A 93 3.381 -7.995 6.451 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.105 -6.913 5.078 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.791 -8.063 6.251 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.663 -8.513 4.534 1.00 0.21 H new ATOM 0 HG21 VAL A 93 2.911 -7.278 4.118 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.321 -8.915 3.552 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.909 -8.666 4.606 1.00 0.23 H new ATOM 1043 N ASP A 94 5.666 -11.235 4.964 1.00 0.21 N ATOM 1044 CA ASP A 94 7.040 -11.678 4.871 1.00 0.24 C ATOM 1045 C ASP A 94 7.885 -10.491 4.474 1.00 0.21 C ATOM 1046 O ASP A 94 7.991 -10.164 3.295 1.00 0.20 O ATOM 1047 CB ASP A 94 7.204 -12.816 3.854 1.00 0.32 C ATOM 1048 CG ASP A 94 6.691 -14.149 4.366 1.00 1.02 C ATOM 1049 OD1 ASP A 94 5.463 -14.387 4.296 1.00 1.10 O ATOM 1050 OD2 ASP A 94 7.506 -14.959 4.858 1.00 1.94 O ATOM 0 H ASP A 94 5.081 -11.473 4.163 1.00 0.21 H new ATOM 0 HA ASP A 94 7.358 -12.071 5.837 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.673 -12.556 2.938 1.00 0.32 H new ATOM 0 HB3 ASP A 94 8.258 -12.914 3.594 1.00 0.32 H new ATOM 1055 N PHE A 95 8.465 -9.828 5.463 1.00 0.23 N ATOM 1056 CA PHE A 95 9.195 -8.594 5.227 1.00 0.24 C ATOM 1057 C PHE A 95 10.366 -8.833 4.282 1.00 0.23 C ATOM 1058 O PHE A 95 10.824 -7.919 3.597 1.00 0.28 O ATOM 1059 CB PHE A 95 9.702 -8.012 6.547 1.00 0.29 C ATOM 1060 CG PHE A 95 8.615 -7.790 7.565 1.00 0.37 C ATOM 1061 CD1 PHE A 95 7.793 -6.675 7.486 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.420 -8.689 8.600 1.00 0.41 C ATOM 1063 CE1 PHE A 95 6.799 -6.462 8.422 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.427 -8.480 9.539 1.00 0.52 C ATOM 1065 CZ PHE A 95 6.600 -7.393 9.440 1.00 0.61 C ATOM 0 H PHE A 95 8.444 -10.126 6.438 1.00 0.23 H new ATOM 0 HA PHE A 95 8.513 -7.880 4.764 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.450 -8.684 6.967 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.201 -7.064 6.348 1.00 0.29 H new ATOM 0 HD1 PHE A 95 7.932 -5.965 6.684 1.00 0.55 H new ATOM 0 HD2 PHE A 95 9.050 -9.563 8.675 1.00 0.41 H new ATOM 0 HE1 PHE A 95 6.180 -5.579 8.365 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.303 -9.177 10.354 1.00 0.52 H new ATOM 0 HZ PHE A 95 5.796 -7.258 10.148 1.00 0.61 H new ATOM 1075 N GLN A 96 10.830 -10.072 4.240 1.00 0.21 N ATOM 1076 CA GLN A 96 11.936 -10.445 3.366 1.00 0.24 C ATOM 1077 C GLN A 96 11.449 -10.647 1.937 1.00 0.21 C ATOM 1078 O GLN A 96 12.188 -10.405 0.983 1.00 0.25 O ATOM 1079 CB GLN A 96 12.638 -11.704 3.874 1.00 0.33 C ATOM 1080 CG GLN A 96 13.317 -11.517 5.227 1.00 1.06 C ATOM 1081 CD GLN A 96 14.308 -10.363 5.247 1.00 1.50 C ATOM 1082 OE1 GLN A 96 14.979 -10.125 4.128 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 14.488 -9.705 6.272 1.00 1.93 N flip ATOM 0 H GLN A 96 10.459 -10.839 4.801 1.00 0.21 H new ATOM 0 HA GLN A 96 12.658 -9.628 3.373 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.909 -12.511 3.950 1.00 0.33 H new ATOM 0 HB3 GLN A 96 13.383 -12.015 3.142 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.555 -11.346 5.988 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.836 -12.437 5.496 1.00 1.06 H new ATOM 0 HE21 GLN A 96 13.953 -9.917 7.114 1.00 1.93 H new ATOM 0 HE22 GLN A 96 15.172 -8.948 6.279 1.00 1.93 H new ATOM 1092 N LYS A 97 10.200 -11.075 1.790 1.00 0.18 N ATOM 1093 CA LYS A 97 9.577 -11.153 0.475 1.00 0.19 C ATOM 1094 C LYS A 97 9.355 -9.736 -0.012 1.00 0.17 C ATOM 1095 O LYS A 97 9.398 -9.442 -1.204 1.00 0.20 O ATOM 1096 CB LYS A 97 8.227 -11.884 0.558 1.00 0.23 C ATOM 1097 CG LYS A 97 7.943 -12.844 -0.592 1.00 0.26 C ATOM 1098 CD LYS A 97 7.902 -12.153 -1.950 1.00 0.25 C ATOM 1099 CE LYS A 97 7.657 -13.156 -3.068 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.654 -14.263 -3.053 1.00 1.43 N ATOM 0 H LYS A 97 9.602 -11.372 2.561 1.00 0.18 H new ATOM 0 HA LYS A 97 10.220 -11.706 -0.209 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.189 -12.441 1.494 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.430 -11.141 0.597 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.709 -13.619 -0.608 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.990 -13.342 -0.415 1.00 0.26 H new ATOM 0 HD2 LYS A 97 7.115 -11.399 -1.954 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.843 -11.632 -2.125 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.654 -13.570 -2.970 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.698 -12.644 -4.030 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.617 -14.776 -3.957 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.607 -13.870 -2.916 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.435 -14.917 -2.275 1.00 1.43 H new ATOM 1114 N PHE A 98 9.171 -8.856 0.959 1.00 0.16 N ATOM 1115 CA PHE A 98 8.854 -7.465 0.715 1.00 0.16 C ATOM 1116 C PHE A 98 10.102 -6.612 0.594 1.00 0.20 C ATOM 1117 O PHE A 98 10.053 -5.391 0.746 1.00 0.22 O ATOM 1118 CB PHE A 98 7.977 -6.941 1.837 1.00 0.15 C ATOM 1119 CG PHE A 98 6.528 -7.107 1.546 1.00 0.11 C ATOM 1120 CD1 PHE A 98 5.820 -6.152 0.841 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.868 -8.227 2.002 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.477 -6.322 0.598 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.533 -8.403 1.755 1.00 0.13 C ATOM 1124 CZ PHE A 98 3.846 -7.379 0.957 1.00 0.12 C ATOM 0 H PHE A 98 9.239 -9.094 1.949 1.00 0.16 H new ATOM 0 HA PHE A 98 8.322 -7.404 -0.234 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.222 -7.465 2.761 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.194 -5.885 2.002 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.324 -5.268 0.479 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.410 -8.975 2.561 1.00 0.13 H new ATOM 0 HE1 PHE A 98 3.936 -5.539 0.088 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.003 -9.265 2.134 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.813 -7.516 0.674 1.00 0.12 H new ATOM 1134 N CYS A 99 11.212 -7.252 0.314 1.00 0.26 N ATOM 1135 CA CYS A 99 12.454 -6.543 0.161 1.00 0.31 C ATOM 1136 C CYS A 99 12.718 -6.190 -1.289 1.00 0.23 C ATOM 1137 O CYS A 99 13.321 -6.961 -2.036 1.00 0.27 O ATOM 1138 CB CYS A 99 13.600 -7.367 0.696 1.00 0.45 C ATOM 1139 SG CYS A 99 13.578 -7.595 2.488 1.00 1.20 S ATOM 0 H CYS A 99 11.278 -8.262 0.188 1.00 0.26 H new ATOM 0 HA CYS A 99 12.374 -5.617 0.731 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.583 -8.346 0.217 1.00 0.45 H new ATOM 0 HB3 CYS A 99 14.538 -6.890 0.414 1.00 0.45 H new ATOM 0 HG CYS A 99 12.349 -7.705 2.896 1.00 1.20 H new ATOM 1145 N MET A 100 12.263 -5.024 -1.679 1.00 0.19 N ATOM 1146 CA MET A 100 12.645 -4.459 -2.951 1.00 0.16 C ATOM 1147 C MET A 100 13.267 -3.114 -2.696 1.00 0.17 C ATOM 1148 O MET A 100 12.859 -2.404 -1.778 1.00 0.20 O ATOM 1149 CB MET A 100 11.472 -4.278 -3.927 1.00 0.22 C ATOM 1150 CG MET A 100 10.110 -4.429 -3.316 1.00 0.22 C ATOM 1151 SD MET A 100 9.619 -6.136 -3.080 1.00 0.13 S ATOM 1152 CE MET A 100 8.179 -5.843 -2.078 1.00 0.18 C ATOM 0 H MET A 100 11.625 -4.446 -1.132 1.00 0.19 H new ATOM 0 HA MET A 100 13.337 -5.159 -3.419 1.00 0.16 H new ATOM 0 HB2 MET A 100 11.544 -3.288 -4.378 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.575 -5.004 -4.733 1.00 0.22 H new ATOM 0 HG2 MET A 100 10.093 -3.918 -2.353 1.00 0.22 H new ATOM 0 HG3 MET A 100 9.378 -3.933 -3.953 1.00 0.22 H new ATOM 0 HE1 MET A 100 7.748 -6.796 -1.773 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.461 -5.273 -1.193 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.444 -5.280 -2.653 1.00 0.18 H new ATOM 1162 N SER A 101 14.263 -2.772 -3.472 1.00 0.16 N ATOM 1163 CA SER A 101 14.699 -1.402 -3.510 1.00 0.18 C ATOM 1164 C SER A 101 13.569 -0.649 -4.180 1.00 0.14 C ATOM 1165 O SER A 101 12.870 -1.235 -4.979 1.00 0.15 O ATOM 1166 CB SER A 101 16.009 -1.262 -4.289 1.00 0.24 C ATOM 1167 OG SER A 101 16.598 0.011 -4.079 1.00 1.26 O ATOM 0 H SER A 101 14.779 -3.411 -4.076 1.00 0.16 H new ATOM 0 HA SER A 101 14.907 -1.010 -2.514 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.704 -2.043 -3.980 1.00 0.24 H new ATOM 0 HB3 SER A 101 15.820 -1.407 -5.353 1.00 0.24 H new ATOM 0 HG SER A 101 15.939 0.614 -3.675 1.00 1.26 H new ATOM 1173 N GLY A 102 13.337 0.592 -3.835 1.00 0.13 N ATOM 1174 CA GLY A 102 12.159 1.277 -4.323 1.00 0.14 C ATOM 1175 C GLY A 102 11.972 1.219 -5.835 1.00 0.14 C ATOM 1176 O GLY A 102 10.847 1.057 -6.317 1.00 0.16 O ATOM 0 H GLY A 102 13.938 1.147 -3.225 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.280 0.846 -3.845 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.209 2.322 -4.016 1.00 0.14 H new ATOM 1180 N ALA A 103 13.057 1.366 -6.586 1.00 0.17 N ATOM 1181 CA ALA A 103 12.999 1.235 -8.039 1.00 0.21 C ATOM 1182 C ALA A 103 12.504 -0.156 -8.412 1.00 0.21 C ATOM 1183 O ALA A 103 11.796 -0.341 -9.402 1.00 0.25 O ATOM 1184 CB ALA A 103 14.366 1.502 -8.649 1.00 0.26 C ATOM 0 H ALA A 103 13.984 1.575 -6.216 1.00 0.17 H new ATOM 0 HA ALA A 103 12.301 1.972 -8.436 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.307 1.401 -9.733 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.686 2.513 -8.396 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.086 0.784 -8.256 1.00 0.26 H new ATOM 1190 N ALA A 104 12.880 -1.122 -7.589 1.00 0.19 N ATOM 1191 CA ALA A 104 12.412 -2.488 -7.721 1.00 0.20 C ATOM 1192 C ALA A 104 10.978 -2.607 -7.232 1.00 0.16 C ATOM 1193 O ALA A 104 10.184 -3.333 -7.823 1.00 0.17 O ATOM 1194 CB ALA A 104 13.304 -3.430 -6.934 1.00 0.22 C ATOM 0 H ALA A 104 13.521 -0.978 -6.809 1.00 0.19 H new ATOM 0 HA ALA A 104 12.449 -2.763 -8.775 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.940 -4.452 -7.043 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.324 -3.366 -7.312 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.289 -3.150 -5.881 1.00 0.22 H new ATOM 1200 N LEU A 105 10.653 -1.919 -6.129 1.00 0.12 N ATOM 1201 CA LEU A 105 9.302 -1.887 -5.588 1.00 0.09 C ATOM 1202 C LEU A 105 8.271 -1.588 -6.646 1.00 0.12 C ATOM 1203 O LEU A 105 7.301 -2.299 -6.811 1.00 0.13 O ATOM 1204 CB LEU A 105 9.211 -0.821 -4.494 1.00 0.09 C ATOM 1205 CG LEU A 105 7.821 -0.666 -3.904 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.384 -1.937 -3.207 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.787 0.489 -2.945 1.00 0.14 C ATOM 0 H LEU A 105 11.325 -1.371 -5.592 1.00 0.12 H new ATOM 0 HA LEU A 105 9.093 -2.876 -5.181 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.909 -1.073 -3.695 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.530 0.137 -4.905 1.00 0.09 H new ATOM 0 HG LEU A 105 7.126 -0.468 -4.720 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.385 -1.800 -2.793 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.370 -2.758 -3.923 1.00 0.11 H new ATOM 0 HD13 LEU A 105 8.082 -2.169 -2.402 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.784 0.588 -2.530 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.498 0.313 -2.138 1.00 0.14 H new ATOM 0 HD23 LEU A 105 8.054 1.406 -3.470 1.00 0.14 H new ATOM 1219 N CYS A 106 8.466 -0.494 -7.306 1.00 0.21 N ATOM 1220 CA CYS A 106 7.647 -0.123 -8.427 1.00 0.31 C ATOM 1221 C CYS A 106 7.690 -1.197 -9.515 1.00 0.34 C ATOM 1222 O CYS A 106 6.653 -1.623 -10.027 1.00 0.40 O ATOM 1223 CB CYS A 106 8.164 1.201 -8.956 1.00 0.39 C ATOM 1224 SG CYS A 106 7.201 1.903 -10.314 1.00 0.74 S ATOM 0 H CYS A 106 9.202 0.177 -7.086 1.00 0.21 H new ATOM 0 HA CYS A 106 6.607 -0.026 -8.117 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.187 1.919 -8.137 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.193 1.066 -9.291 1.00 0.39 H new ATOM 0 HG CYS A 106 6.517 0.961 -10.893 1.00 0.74 H new ATOM 1230 N ALA A 107 8.896 -1.649 -9.843 1.00 0.33 N ATOM 1231 CA ALA A 107 9.107 -2.559 -10.960 1.00 0.41 C ATOM 1232 C ALA A 107 8.562 -3.973 -10.734 1.00 0.38 C ATOM 1233 O ALA A 107 8.553 -4.767 -11.675 1.00 0.46 O ATOM 1234 CB ALA A 107 10.586 -2.626 -11.301 1.00 0.47 C ATOM 0 H ALA A 107 9.749 -1.396 -9.345 1.00 0.33 H new ATOM 0 HA ALA A 107 8.537 -2.147 -11.792 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.736 -3.309 -12.137 1.00 0.47 H new ATOM 0 HB2 ALA A 107 10.942 -1.633 -11.575 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.143 -2.985 -10.436 1.00 0.47 H new ATOM 1240 N LEU A 108 8.136 -4.330 -9.517 1.00 0.29 N ATOM 1241 CA LEU A 108 7.550 -5.656 -9.325 1.00 0.26 C ATOM 1242 C LEU A 108 6.240 -5.791 -10.105 1.00 0.26 C ATOM 1243 O LEU A 108 5.954 -6.843 -10.672 1.00 0.28 O ATOM 1244 CB LEU A 108 7.378 -6.057 -7.833 1.00 0.21 C ATOM 1245 CG LEU A 108 6.871 -4.998 -6.852 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.456 -4.532 -7.179 1.00 0.21 C ATOM 1247 CD2 LEU A 108 6.934 -5.551 -5.442 1.00 0.19 C ATOM 0 H LEU A 108 8.183 -3.745 -8.683 1.00 0.29 H new ATOM 0 HA LEU A 108 8.269 -6.368 -9.730 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.692 -6.903 -7.793 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.343 -6.411 -7.470 1.00 0.21 H new ATOM 0 HG LEU A 108 7.516 -4.124 -6.939 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.143 -3.781 -6.453 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.437 -4.100 -8.179 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.775 -5.382 -7.138 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.574 -4.799 -4.740 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.310 -6.442 -5.372 1.00 0.19 H new ATOM 0 HD23 LEU A 108 7.964 -5.810 -5.199 1.00 0.19 H new ATOM 1259 N GLY A 109 5.482 -4.705 -10.198 1.00 0.27 N ATOM 1260 CA GLY A 109 4.202 -4.747 -10.880 1.00 0.32 C ATOM 1261 C GLY A 109 3.105 -5.301 -9.990 1.00 0.27 C ATOM 1262 O GLY A 109 3.383 -6.082 -9.076 1.00 0.23 O ATOM 0 H GLY A 109 5.731 -3.794 -9.812 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.932 -3.743 -11.207 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.288 -5.362 -11.776 1.00 0.32 H new ATOM 1266 N LYS A 110 1.866 -4.890 -10.249 1.00 0.33 N ATOM 1267 CA LYS A 110 0.718 -5.345 -9.464 1.00 0.36 C ATOM 1268 C LYS A 110 0.734 -6.868 -9.299 1.00 0.26 C ATOM 1269 O LYS A 110 0.684 -7.374 -8.180 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.605 -4.851 -10.107 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.576 -5.945 -10.557 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.329 -6.565 -9.397 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.594 -8.052 -9.627 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.530 -8.298 -10.754 1.00 0.67 N ATOM 0 H LYS A 110 1.629 -4.240 -10.999 1.00 0.33 H new ATOM 0 HA LYS A 110 0.786 -4.913 -8.466 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.117 -4.209 -9.391 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.359 -4.233 -10.970 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.289 -5.524 -11.266 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.023 -6.722 -11.084 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.755 -6.435 -8.479 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.276 -6.044 -9.257 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.650 -8.559 -9.826 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -3.004 -8.489 -8.717 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.676 -9.322 -10.867 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.442 -7.839 -10.555 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.129 -7.906 -11.630 1.00 0.67 H new ATOM 1288 N GLU A 111 0.819 -7.591 -10.412 1.00 0.25 N ATOM 1289 CA GLU A 111 0.707 -9.044 -10.394 1.00 0.31 C ATOM 1290 C GLU A 111 1.760 -9.693 -9.509 1.00 0.27 C ATOM 1291 O GLU A 111 1.482 -10.681 -8.841 1.00 0.39 O ATOM 1292 CB GLU A 111 0.781 -9.584 -11.819 1.00 0.48 C ATOM 1293 CG GLU A 111 -0.320 -9.028 -12.707 1.00 1.39 C ATOM 1294 CD GLU A 111 -0.278 -9.573 -14.117 1.00 1.95 C ATOM 1295 OE1 GLU A 111 -0.840 -10.663 -14.348 1.00 2.46 O ATOM 1296 OE2 GLU A 111 0.287 -8.901 -15.002 1.00 2.54 O ATOM 0 H GLU A 111 0.965 -7.192 -11.339 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.261 -9.300 -9.963 1.00 0.31 H new ATOM 0 HB2 GLU A 111 1.751 -9.335 -12.249 1.00 0.48 H new ATOM 0 HB3 GLU A 111 0.712 -10.672 -11.797 1.00 0.48 H new ATOM 0 HG2 GLU A 111 -1.288 -9.260 -12.263 1.00 1.39 H new ATOM 0 HG3 GLU A 111 -0.237 -7.942 -12.741 1.00 1.39 H new ATOM 1303 N CYS A 112 2.949 -9.127 -9.480 1.00 0.21 N ATOM 1304 CA CYS A 112 3.996 -9.667 -8.638 1.00 0.18 C ATOM 1305 C CYS A 112 3.734 -9.301 -7.186 1.00 0.15 C ATOM 1306 O CYS A 112 3.763 -10.163 -6.316 1.00 0.17 O ATOM 1307 CB CYS A 112 5.373 -9.172 -9.069 1.00 0.21 C ATOM 1308 SG CYS A 112 6.743 -9.858 -8.107 1.00 1.36 S ATOM 0 H CYS A 112 3.212 -8.304 -10.022 1.00 0.21 H new ATOM 0 HA CYS A 112 3.988 -10.752 -8.743 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.523 -9.419 -10.120 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.397 -8.085 -8.990 1.00 0.21 H new ATOM 0 HG CYS A 112 7.867 -9.379 -8.550 1.00 1.36 H new ATOM 1314 N PHE A 113 3.462 -8.019 -6.936 1.00 0.13 N ATOM 1315 CA PHE A 113 3.227 -7.527 -5.583 1.00 0.12 C ATOM 1316 C PHE A 113 2.115 -8.311 -4.875 1.00 0.13 C ATOM 1317 O PHE A 113 2.236 -8.667 -3.701 1.00 0.14 O ATOM 1318 CB PHE A 113 2.876 -6.028 -5.603 1.00 0.12 C ATOM 1319 CG PHE A 113 3.165 -5.343 -4.299 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.422 -5.615 -3.151 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.162 -4.394 -4.230 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.682 -4.946 -1.978 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.416 -3.722 -3.063 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.719 -4.167 -1.856 1.00 0.10 C ATOM 0 H PHE A 113 3.399 -7.302 -7.659 1.00 0.13 H new ATOM 0 HA PHE A 113 4.151 -7.673 -5.024 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.440 -5.539 -6.397 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.819 -5.911 -5.843 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.637 -6.356 -3.183 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.752 -4.177 -5.108 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.012 -5.069 -1.140 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.107 -2.892 -3.035 1.00 0.13 H new ATOM 0 HZ PHE A 113 4.059 -3.855 -0.880 1.00 0.10 H new ATOM 1334 N LEU A 114 1.029 -8.587 -5.570 1.00 0.14 N ATOM 1335 CA LEU A 114 -0.104 -9.227 -4.915 1.00 0.17 C ATOM 1336 C LEU A 114 0.165 -10.702 -4.720 1.00 0.22 C ATOM 1337 O LEU A 114 -0.398 -11.329 -3.836 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.410 -9.038 -5.672 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.624 -7.676 -6.326 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.105 -7.398 -6.444 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.950 -6.546 -5.574 1.00 0.50 C ATOM 0 H LEU A 114 0.903 -8.386 -6.562 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.219 -8.740 -3.947 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.469 -9.802 -6.447 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.234 -9.219 -4.982 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.164 -7.719 -7.313 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.256 -6.425 -6.911 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.573 -8.170 -7.055 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.555 -7.398 -5.451 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.139 -5.604 -6.088 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.350 -6.493 -4.561 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.124 -6.727 -5.531 1.00 0.50 H new ATOM 1353 N GLU A 115 1.011 -11.256 -5.571 1.00 0.22 N ATOM 1354 CA GLU A 115 1.494 -12.611 -5.383 1.00 0.28 C ATOM 1355 C GLU A 115 2.562 -12.623 -4.293 1.00 0.27 C ATOM 1356 O GLU A 115 2.937 -13.667 -3.761 1.00 0.37 O ATOM 1357 CB GLU A 115 2.090 -13.139 -6.683 1.00 0.37 C ATOM 1358 CG GLU A 115 1.056 -13.427 -7.759 1.00 0.48 C ATOM 1359 CD GLU A 115 0.278 -14.695 -7.494 1.00 1.33 C ATOM 1360 OE1 GLU A 115 -0.776 -14.629 -6.828 1.00 1.81 O ATOM 1361 OE2 GLU A 115 0.718 -15.769 -7.959 1.00 2.21 O ATOM 0 H GLU A 115 1.377 -10.787 -6.399 1.00 0.22 H new ATOM 0 HA GLU A 115 0.661 -13.249 -5.088 1.00 0.28 H new ATOM 0 HB2 GLU A 115 2.806 -12.411 -7.066 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.646 -14.053 -6.472 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.364 -12.588 -7.826 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.555 -13.507 -8.725 1.00 0.48 H new ATOM 1368 N LEU A 116 3.035 -11.429 -3.981 1.00 0.20 N ATOM 1369 CA LEU A 116 4.129 -11.216 -3.050 1.00 0.19 C ATOM 1370 C LEU A 116 3.617 -11.071 -1.606 1.00 0.22 C ATOM 1371 O LEU A 116 4.356 -11.291 -0.646 1.00 0.26 O ATOM 1372 CB LEU A 116 4.910 -9.993 -3.556 1.00 0.15 C ATOM 1373 CG LEU A 116 5.627 -9.128 -2.536 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.017 -8.792 -3.039 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.845 -7.856 -2.290 1.00 0.16 C ATOM 0 H LEU A 116 2.663 -10.565 -4.375 1.00 0.20 H new ATOM 0 HA LEU A 116 4.798 -12.076 -3.013 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.651 -10.345 -4.274 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.214 -9.356 -4.102 1.00 0.15 H new ATOM 0 HG LEU A 116 5.708 -9.677 -1.598 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.529 -8.171 -2.304 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.581 -9.712 -3.192 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.942 -8.251 -3.982 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.369 -7.243 -1.556 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.749 -7.302 -3.224 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.853 -8.106 -1.912 1.00 0.16 H new ATOM 1387 N ALA A 117 2.341 -10.730 -1.470 1.00 0.21 N ATOM 1388 CA ALA A 117 1.652 -10.759 -0.171 1.00 0.22 C ATOM 1389 C ALA A 117 0.327 -11.496 -0.318 1.00 0.23 C ATOM 1390 O ALA A 117 0.049 -12.039 -1.382 1.00 0.26 O ATOM 1391 CB ALA A 117 1.410 -9.345 0.354 1.00 0.22 C ATOM 0 H ALA A 117 1.753 -10.427 -2.246 1.00 0.21 H new ATOM 0 HA ALA A 117 2.284 -11.280 0.548 1.00 0.22 H new ATOM 0 HB1 ALA A 117 0.899 -9.396 1.316 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.365 -8.834 0.477 1.00 0.22 H new ATOM 0 HB3 ALA A 117 0.793 -8.794 -0.356 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.494 -11.587 0.742 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.901 -11.944 0.578 1.00 0.25 C ATOM 1399 C PRO A 118 -2.544 -11.039 -0.472 1.00 0.22 C ATOM 1400 O PRO A 118 -2.273 -9.841 -0.508 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.493 -11.681 1.960 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.352 -11.846 2.910 1.00 0.32 C ATOM 1403 CD PRO A 118 -0.119 -11.420 2.161 1.00 0.29 C ATOM 0 HA PRO A 118 -2.058 -12.969 0.242 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.917 -10.679 2.023 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -3.297 -12.382 2.184 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.496 -11.236 3.802 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -1.268 -12.881 3.242 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.149 -10.387 2.385 1.00 0.29 H new ATOM 0 HD3 PRO A 118 0.741 -12.036 2.423 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.361 -11.625 -1.341 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.906 -10.926 -2.516 1.00 0.32 C ATOM 1413 C ASP A 119 -4.613 -9.609 -2.184 1.00 0.31 C ATOM 1414 O ASP A 119 -4.728 -8.743 -3.050 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.860 -11.833 -3.301 1.00 0.41 C ATOM 1416 CG ASP A 119 -6.183 -12.055 -2.600 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.274 -12.981 -1.767 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -7.146 -11.318 -2.892 1.00 1.26 O ATOM 0 H ASP A 119 -3.668 -12.594 -1.258 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.039 -10.675 -3.127 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.045 -11.394 -4.281 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.379 -12.797 -3.469 1.00 0.41 H new ATOM 1423 N PHE A 120 -5.063 -9.437 -0.946 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.729 -8.203 -0.554 1.00 0.32 C ATOM 1425 C PHE A 120 -4.683 -7.227 -0.067 1.00 0.22 C ATOM 1426 O PHE A 120 -4.744 -6.035 -0.328 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.780 -8.475 0.532 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.472 -7.258 1.074 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.912 -6.249 0.235 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.693 -7.135 2.437 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.554 -5.141 0.748 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.334 -6.029 2.954 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.764 -5.030 2.108 1.00 1.86 C ATOM 0 H PHE A 120 -4.979 -10.131 -0.203 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.253 -7.777 -1.410 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.533 -9.150 0.125 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.298 -8.997 1.359 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.751 -6.330 -0.830 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.358 -7.916 3.103 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.893 -4.359 0.085 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.498 -5.946 4.018 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.265 -4.161 2.508 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.695 -7.780 0.604 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.624 -7.027 1.208 1.00 0.17 C ATOM 1445 C VAL A 121 -1.667 -6.505 0.165 1.00 0.15 C ATOM 1446 O VAL A 121 -1.210 -5.365 0.248 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.885 -7.926 2.193 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.697 -7.210 2.813 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.879 -8.394 3.230 1.00 0.22 C ATOM 0 H VAL A 121 -3.615 -8.787 0.746 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.046 -6.168 1.729 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.469 -8.791 1.676 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.192 -7.879 3.510 1.00 0.19 H new ATOM 0 HG12 VAL A 121 -0.002 -6.912 2.028 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.043 -6.325 3.346 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.377 -9.041 3.950 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.298 -7.531 3.748 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.680 -8.948 2.742 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.356 -7.347 -0.808 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.567 -6.912 -1.925 1.00 0.19 C ATOM 1461 C GLY A 122 -1.199 -5.722 -2.602 1.00 0.16 C ATOM 1462 O GLY A 122 -0.519 -4.757 -2.883 1.00 0.14 O ATOM 0 H GLY A 122 -1.640 -8.326 -0.838 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.436 -6.652 -1.587 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.461 -7.728 -2.640 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.510 -5.787 -2.840 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.226 -4.714 -3.526 1.00 0.19 C ATOM 1468 C ASP A 123 -3.430 -3.532 -2.588 1.00 0.13 C ATOM 1469 O ASP A 123 -3.424 -2.387 -3.017 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.566 -5.217 -4.078 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.282 -4.180 -4.925 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -4.716 -3.756 -5.954 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.424 -3.802 -4.584 1.00 1.07 O ATOM 0 H ASP A 123 -3.098 -6.575 -2.566 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.623 -4.381 -4.371 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.394 -6.112 -4.676 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.209 -5.508 -3.248 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.639 -3.821 -1.308 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.610 -2.797 -0.268 1.00 0.10 C ATOM 1480 C ILE A 124 -2.333 -1.978 -0.370 1.00 0.09 C ATOM 1481 O ILE A 124 -2.362 -0.765 -0.605 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.733 -3.428 1.144 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.203 -3.661 1.486 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.080 -2.554 2.212 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.406 -4.412 2.783 1.00 0.22 C ATOM 0 H ILE A 124 -3.831 -4.762 -0.964 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.466 -2.139 -0.419 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.207 -4.383 1.129 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.711 -2.699 1.549 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.673 -4.217 0.675 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.187 -3.030 3.187 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.022 -2.430 1.983 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.565 -1.578 2.229 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.473 -4.543 2.965 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.927 -5.389 2.717 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -4.965 -3.846 3.604 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.215 -2.648 -0.213 1.00 0.08 N ATOM 1498 CA LEU A 125 0.064 -2.015 -0.360 1.00 0.08 C ATOM 1499 C LEU A 125 0.243 -1.468 -1.762 1.00 0.09 C ATOM 1500 O LEU A 125 0.729 -0.363 -1.930 1.00 0.10 O ATOM 1501 CB LEU A 125 1.156 -3.004 -0.003 1.00 0.08 C ATOM 1502 CG LEU A 125 1.553 -2.969 1.459 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.477 -4.122 1.784 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.217 -1.641 1.770 1.00 0.09 C ATOM 0 H LEU A 125 -1.172 -3.640 0.019 1.00 0.08 H new ATOM 0 HA LEU A 125 0.126 -1.166 0.321 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.820 -4.010 -0.256 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.035 -2.798 -0.614 1.00 0.08 H new ATOM 0 HG LEU A 125 0.661 -3.071 2.077 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.752 -4.082 2.838 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.970 -5.064 1.577 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.376 -4.052 1.171 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.503 -1.615 2.821 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.105 -1.524 1.149 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.520 -0.829 1.563 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.198 -2.218 -2.757 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.075 -1.793 -4.139 1.00 0.10 C ATOM 1518 C TRP A 126 -0.845 -0.500 -4.377 1.00 0.11 C ATOM 1519 O TRP A 126 -0.400 0.356 -5.140 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.552 -2.884 -5.101 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.551 -2.414 -6.512 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.639 -2.150 -7.276 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.596 -2.107 -7.307 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.242 -1.676 -8.506 1.00 0.25 N ATOM 1525 CE2 TRP A 126 0.131 -1.647 -8.547 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.971 -2.179 -7.085 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 1.000 -1.250 -9.561 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.831 -1.788 -8.093 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.343 -1.326 -9.317 1.00 0.25 C ATOM 0 H TRP A 126 -0.645 -3.126 -2.632 1.00 0.09 H new ATOM 0 HA TRP A 126 0.981 -1.609 -4.335 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.093 -3.758 -5.008 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.558 -3.199 -4.823 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.664 -2.290 -6.966 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -1.865 -1.393 -9.263 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.357 -2.534 -6.141 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.625 -0.894 -10.509 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.898 -1.840 -7.932 1.00 0.22 H new ATOM 0 HH2 TRP A 126 3.039 -1.023 -10.085 1.00 0.25 H new ATOM 1540 N GLU A 127 -1.994 -0.348 -3.725 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.717 0.908 -3.783 1.00 0.12 C ATOM 1542 C GLU A 127 -1.838 2.017 -3.287 1.00 0.12 C ATOM 1543 O GLU A 127 -1.530 2.925 -4.031 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.002 0.896 -2.967 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.223 0.539 -3.785 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.509 1.518 -4.903 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -6.033 2.611 -4.613 1.00 1.43 O ATOM 1548 OE2 GLU A 127 -5.183 1.207 -6.065 1.00 0.84 O ATOM 0 H GLU A 127 -2.436 -1.072 -3.158 1.00 0.11 H new ATOM 0 HA GLU A 127 -2.994 1.062 -4.826 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -3.899 0.183 -2.149 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.148 1.878 -2.517 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.088 -0.456 -4.210 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.090 0.489 -3.126 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.398 1.941 -2.038 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.569 3.008 -1.512 1.00 0.11 C ATOM 1557 C HIS A 128 0.697 3.133 -2.331 1.00 0.10 C ATOM 1558 O HIS A 128 1.210 4.230 -2.477 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.226 2.839 -0.030 1.00 0.11 C ATOM 1560 CG HIS A 128 0.261 4.121 0.593 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.709 4.215 1.893 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.339 5.377 0.082 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.037 5.471 2.154 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.823 6.193 1.070 1.00 0.15 N ATOM 0 H HIS A 128 -1.594 1.177 -1.391 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.155 3.924 -1.589 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.107 2.488 0.507 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.540 2.071 0.078 1.00 0.11 H new ATOM 0 HD1 HIS A 128 0.777 3.439 2.551 1.00 0.14 H new ATOM 0 HD2 HIS A 128 0.069 5.677 -0.920 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.416 5.842 3.095 1.00 0.15 H new ATOM 1573 N LEU A 129 1.190 2.027 -2.871 1.00 0.10 N ATOM 1574 CA LEU A 129 2.294 2.071 -3.802 1.00 0.12 C ATOM 1575 C LEU A 129 1.930 3.017 -4.916 1.00 0.15 C ATOM 1576 O LEU A 129 2.627 3.996 -5.180 1.00 0.18 O ATOM 1577 CB LEU A 129 2.581 0.664 -4.353 1.00 0.11 C ATOM 1578 CG LEU A 129 3.833 0.537 -5.214 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.864 1.539 -4.762 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.409 -0.860 -5.099 1.00 0.13 C ATOM 0 H LEU A 129 0.838 1.090 -2.676 1.00 0.10 H new ATOM 0 HA LEU A 129 3.197 2.421 -3.302 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.668 -0.025 -3.513 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.722 0.342 -4.942 1.00 0.11 H new ATOM 0 HG LEU A 129 3.564 0.729 -6.253 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.757 1.445 -5.379 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.459 2.546 -4.859 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.122 1.351 -3.720 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.302 -0.937 -5.719 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.669 -1.062 -4.060 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.670 -1.587 -5.436 1.00 0.13 H new ATOM 1592 N GLU A 130 0.792 2.743 -5.513 1.00 0.17 N ATOM 1593 CA GLU A 130 0.286 3.532 -6.602 1.00 0.23 C ATOM 1594 C GLU A 130 0.027 4.967 -6.150 1.00 0.25 C ATOM 1595 O GLU A 130 0.298 5.922 -6.871 1.00 0.37 O ATOM 1596 CB GLU A 130 -0.996 2.879 -7.154 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.596 3.577 -8.363 1.00 0.69 C ATOM 1598 CD GLU A 130 -0.718 3.484 -9.593 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -0.676 2.401 -10.217 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -0.081 4.495 -9.950 1.00 1.73 O ATOM 0 H GLU A 130 0.192 1.961 -5.252 1.00 0.17 H new ATOM 0 HA GLU A 130 1.029 3.570 -7.398 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.775 1.846 -7.421 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.743 2.850 -6.361 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -2.569 3.138 -8.584 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -1.766 4.626 -8.123 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.480 5.101 -4.941 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.761 6.399 -4.355 1.00 0.21 C ATOM 1609 C ILE A 131 0.530 7.224 -4.132 1.00 0.22 C ATOM 1610 O ILE A 131 0.577 8.401 -4.454 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.542 6.250 -3.026 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.058 6.062 -3.245 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.336 7.474 -2.153 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.464 4.973 -4.217 1.00 0.23 C ATOM 0 H ILE A 131 -0.710 4.313 -4.335 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.383 6.943 -5.066 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.150 5.356 -2.540 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.520 5.850 -2.281 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.473 7.007 -3.596 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.891 7.355 -1.222 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.275 7.588 -1.931 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.694 8.360 -2.678 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.551 4.936 -4.288 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.043 5.187 -5.199 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.090 4.012 -3.863 1.00 0.23 H new ATOM 1626 N LEU A 132 1.578 6.613 -3.590 1.00 0.18 N ATOM 1627 CA LEU A 132 2.828 7.344 -3.303 1.00 0.20 C ATOM 1628 C LEU A 132 3.318 8.091 -4.525 1.00 0.25 C ATOM 1629 O LEU A 132 3.855 9.193 -4.437 1.00 0.29 O ATOM 1630 CB LEU A 132 3.938 6.407 -2.863 1.00 0.21 C ATOM 1631 CG LEU A 132 3.607 5.505 -1.697 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.282 4.175 -1.927 1.00 0.23 C ATOM 1633 CD2 LEU A 132 4.058 6.113 -0.373 1.00 0.25 C ATOM 0 H LEU A 132 1.598 5.624 -3.339 1.00 0.18 H new ATOM 0 HA LEU A 132 2.593 8.042 -2.500 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.221 5.785 -3.712 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.811 7.005 -2.601 1.00 0.21 H new ATOM 0 HG LEU A 132 2.526 5.377 -1.634 1.00 0.21 H new ATOM 0 HD11 LEU A 132 4.058 3.505 -1.097 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.916 3.737 -2.856 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.360 4.321 -1.994 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.804 5.437 0.443 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.137 6.268 -0.393 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.556 7.069 -0.222 1.00 0.25 H new ATOM 1645 N GLN A 133 3.110 7.469 -5.661 1.00 0.28 N ATOM 1646 CA GLN A 133 3.560 8.020 -6.918 1.00 0.38 C ATOM 1647 C GLN A 133 2.446 8.811 -7.578 1.00 0.37 C ATOM 1648 O GLN A 133 2.716 9.678 -8.390 1.00 0.47 O ATOM 1649 CB GLN A 133 4.087 6.917 -7.846 1.00 0.58 C ATOM 1650 CG GLN A 133 3.155 5.729 -7.966 1.00 0.79 C ATOM 1651 CD GLN A 133 3.876 4.446 -8.294 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.521 3.410 -7.564 1.00 1.22 O flip ATOM 1653 NE2 GLN A 133 4.798 4.412 -9.108 1.00 0.31 N flip ATOM 0 H GLN A 133 2.628 6.574 -5.741 1.00 0.28 H new ATOM 0 HA GLN A 133 4.387 8.702 -6.719 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.255 7.338 -8.837 1.00 0.58 H new ATOM 0 HB3 GLN A 133 5.054 6.574 -7.477 1.00 0.58 H new ATOM 0 HG2 GLN A 133 2.611 5.605 -7.030 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.415 5.932 -8.740 1.00 0.79 H new ATOM 0 HE21 GLN A 133 5.032 5.245 -9.649 1.00 0.31 H new ATOM 0 HE22 GLN A 133 5.328 3.551 -9.242 1.00 0.31 H new