USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 752 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 74 GLN : amide:sc= -0.617 K(o=-1.8,f=-7.7!) USER MOD Set 1.2: A 77 MET CE :methyl -171:sc= -1.2 (180deg=-1.57) USER MOD Set 2.1: A 40 SER OG : rot -73:sc= 0.861 USER MOD Set 2.2: A 42 SER OG : rot 151:sc= 0.118 USER MOD Set 2.3: A 44 ASN : amide:sc= 0.57 K(o=2.7,f=-1.3!) USER MOD Set 2.4: A 45 SER OG : rot -68:sc= 0.397 USER MOD Set 2.5: A 47 HIS : no HE2:sc= 0.757 K(o=2.7,f=-1.6) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= -0.023 (180deg=-0.247) USER MOD Single : A 26 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 29 SER OG : rot -33:sc= 0.665 USER MOD Single : A 33 THR OG1 : rot -72:sc= 0.17 USER MOD Single : A 38 CYS SG : rot -66:sc= -0.406 USER MOD Single : A 51 GLN : amide:sc= 0.144 X(o=0.14,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.6) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc=-0.00362 (180deg=-0.107) USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= -0.0076 (180deg=-0.119) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.7) USER MOD Single : A 66 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.6!) USER MOD Single : A 67 ASN : amide:sc=-0.00377 K(o=-0.0038,f=-1.4) USER MOD Single : A 68 MET CE :methyl -129:sc= -1.15 (180deg=-5.26!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= -0.0149 (180deg=-0.202) USER MOD Single : A 85 HIS : no HD1:sc= 0.361 K(o=0.36,f=-1.6!) USER MOD Single : A 99 THR OG1 : rot -26:sc= 0.379 USER MOD Single : A 102 GLN : amide:sc= -0.484 K(o=-0.48,f=-2.5!) USER MOD Single : A 103 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-0.77) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 112 GLN : amide:sc= 0.173 K(o=0.17,f=-7.2!) USER MOD Single : A 116 ASN : amide:sc= -1.72 K(o=-1.7,f=-0.28) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 237 N VAL A 17 6.751 -14.734 0.277 1.00 15.25 N ATOM 238 CA VAL A 17 6.040 -13.445 0.308 1.00 4.44 C ATOM 239 C VAL A 17 4.953 -13.438 1.418 1.00 61.24 C ATOM 240 O VAL A 17 4.071 -14.306 1.409 1.00 4.33 O ATOM 241 CB VAL A 17 5.379 -13.138 -1.095 1.00 21.32 C ATOM 242 CG1 VAL A 17 4.460 -11.890 -1.044 1.00 65.42 C ATOM 243 CG2 VAL A 17 6.464 -12.963 -2.185 1.00 42.23 C ATOM 0 HA VAL A 17 6.770 -12.667 0.531 1.00 4.44 H new ATOM 0 HB VAL A 17 4.756 -13.995 -1.351 1.00 21.32 H new ATOM 0 HG11 VAL A 17 4.027 -11.716 -2.029 1.00 65.42 H new ATOM 0 HG12 VAL A 17 3.661 -12.056 -0.321 1.00 65.42 H new ATOM 0 HG13 VAL A 17 5.045 -11.020 -0.746 1.00 65.42 H new ATOM 0 HG21 VAL A 17 5.987 -12.753 -3.142 1.00 42.23 H new ATOM 0 HG22 VAL A 17 7.120 -12.135 -1.916 1.00 42.23 H new ATOM 0 HG23 VAL A 17 7.050 -13.878 -2.265 1.00 42.23 H new ATOM 253 N PRO A 18 5.046 -12.496 2.419 1.00 42.24 N ATOM 254 CA PRO A 18 3.985 -12.274 3.442 1.00 71.05 C ATOM 255 C PRO A 18 2.588 -12.039 2.832 1.00 22.53 C ATOM 256 O PRO A 18 2.467 -11.405 1.773 1.00 11.23 O ATOM 257 CB PRO A 18 4.485 -11.010 4.190 1.00 71.54 C ATOM 258 CG PRO A 18 5.976 -11.072 4.059 1.00 12.44 C ATOM 259 CD PRO A 18 6.220 -11.607 2.664 1.00 61.53 C ATOM 0 HA PRO A 18 3.848 -13.146 4.081 1.00 71.05 H new ATOM 0 HB2 PRO A 18 4.084 -10.099 3.746 1.00 71.54 H new ATOM 0 HB3 PRO A 18 4.176 -11.017 5.235 1.00 71.54 H new ATOM 0 HG2 PRO A 18 6.426 -10.088 4.189 1.00 12.44 H new ATOM 0 HG3 PRO A 18 6.413 -11.725 4.815 1.00 12.44 H new ATOM 0 HD2 PRO A 18 6.274 -10.803 1.930 1.00 61.53 H new ATOM 0 HD3 PRO A 18 7.159 -12.157 2.604 1.00 61.53 H new ATOM 267 N ALA A 19 1.552 -12.567 3.517 1.00 35.42 N ATOM 268 CA ALA A 19 0.136 -12.408 3.138 1.00 12.53 C ATOM 269 C ALA A 19 -0.247 -10.930 2.953 1.00 1.12 C ATOM 270 O ALA A 19 -0.987 -10.589 2.024 1.00 73.44 O ATOM 271 CB ALA A 19 -0.761 -13.069 4.192 1.00 5.21 C ATOM 0 H ALA A 19 1.680 -13.124 4.362 1.00 35.42 H new ATOM 0 HA ALA A 19 -0.012 -12.900 2.177 1.00 12.53 H new ATOM 0 HB1 ALA A 19 -1.806 -12.949 3.907 1.00 5.21 H new ATOM 0 HB2 ALA A 19 -0.523 -14.131 4.258 1.00 5.21 H new ATOM 0 HB3 ALA A 19 -0.592 -12.598 5.160 1.00 5.21 H new ATOM 277 N PHE A 20 0.272 -10.067 3.850 1.00 24.31 N ATOM 278 CA PHE A 20 0.125 -8.607 3.741 1.00 72.31 C ATOM 279 C PHE A 20 0.623 -8.090 2.372 1.00 12.21 C ATOM 280 O PHE A 20 -0.088 -7.350 1.699 1.00 71.04 O ATOM 281 CB PHE A 20 0.882 -7.884 4.897 1.00 73.21 C ATOM 282 CG PHE A 20 0.771 -6.357 4.839 1.00 5.12 C ATOM 283 CD1 PHE A 20 -0.332 -5.697 5.383 1.00 33.43 C ATOM 284 CD2 PHE A 20 1.743 -5.585 4.199 1.00 65.51 C ATOM 285 CE1 PHE A 20 -0.451 -4.322 5.292 1.00 4.31 C ATOM 286 CE2 PHE A 20 1.618 -4.220 4.103 1.00 71.54 C ATOM 287 CZ PHE A 20 0.524 -3.587 4.647 1.00 40.34 C ATOM 0 H PHE A 20 0.803 -10.365 4.668 1.00 24.31 H new ATOM 0 HA PHE A 20 -0.938 -8.380 3.823 1.00 72.31 H new ATOM 0 HB2 PHE A 20 0.489 -8.233 5.852 1.00 73.21 H new ATOM 0 HB3 PHE A 20 1.935 -8.165 4.863 1.00 73.21 H new ATOM 0 HD1 PHE A 20 -1.102 -6.267 5.881 1.00 33.43 H new ATOM 0 HD2 PHE A 20 2.609 -6.070 3.772 1.00 65.51 H new ATOM 0 HE1 PHE A 20 -1.306 -3.824 5.725 1.00 4.31 H new ATOM 0 HE2 PHE A 20 2.380 -3.643 3.600 1.00 71.54 H new ATOM 0 HZ PHE A 20 0.428 -2.514 4.569 1.00 40.34 H new ATOM 297 N LEU A 21 1.834 -8.512 1.961 1.00 62.10 N ATOM 298 CA LEU A 21 2.515 -7.939 0.783 1.00 55.20 C ATOM 299 C LEU A 21 1.897 -8.438 -0.536 1.00 1.51 C ATOM 300 O LEU A 21 1.858 -7.689 -1.513 1.00 12.55 O ATOM 301 CB LEU A 21 4.042 -8.227 0.824 1.00 4.30 C ATOM 302 CG LEU A 21 4.843 -7.501 1.955 1.00 52.21 C ATOM 303 CD1 LEU A 21 6.329 -7.898 1.917 1.00 30.53 C ATOM 304 CD2 LEU A 21 4.682 -5.963 1.866 1.00 70.34 C ATOM 0 H LEU A 21 2.362 -9.249 2.428 1.00 62.10 H new ATOM 0 HA LEU A 21 2.371 -6.859 0.822 1.00 55.20 H new ATOM 0 HB2 LEU A 21 4.187 -9.302 0.935 1.00 4.30 H new ATOM 0 HB3 LEU A 21 4.471 -7.945 -0.137 1.00 4.30 H new ATOM 0 HG LEU A 21 4.428 -7.822 2.910 1.00 52.21 H new ATOM 0 HD11 LEU A 21 6.864 -7.380 2.713 1.00 30.53 H new ATOM 0 HD12 LEU A 21 6.422 -8.975 2.058 1.00 30.53 H new ATOM 0 HD13 LEU A 21 6.755 -7.621 0.953 1.00 30.53 H new ATOM 0 HD21 LEU A 21 5.251 -5.491 2.666 1.00 70.34 H new ATOM 0 HD22 LEU A 21 5.052 -5.614 0.902 1.00 70.34 H new ATOM 0 HD23 LEU A 21 3.629 -5.701 1.967 1.00 70.34 H new ATOM 316 N THR A 22 1.424 -9.704 -0.566 1.00 64.02 N ATOM 317 CA THR A 22 0.735 -10.249 -1.752 1.00 3.54 C ATOM 318 C THR A 22 -0.639 -9.563 -1.958 1.00 65.32 C ATOM 319 O THR A 22 -1.021 -9.269 -3.096 1.00 13.23 O ATOM 320 CB THR A 22 0.586 -11.814 -1.700 1.00 14.33 C ATOM 321 OG1 THR A 22 0.088 -12.309 -2.954 1.00 61.32 O ATOM 322 CG2 THR A 22 -0.341 -12.303 -0.581 1.00 5.33 C ATOM 0 H THR A 22 1.507 -10.360 0.211 1.00 64.02 H new ATOM 0 HA THR A 22 1.365 -10.025 -2.613 1.00 3.54 H new ATOM 0 HB THR A 22 1.584 -12.201 -1.495 1.00 14.33 H new ATOM 0 HG1 THR A 22 0.001 -13.284 -2.909 1.00 61.32 H new ATOM 0 HG21 THR A 22 -0.397 -13.391 -0.604 1.00 5.33 H new ATOM 0 HG22 THR A 22 0.051 -11.981 0.383 1.00 5.33 H new ATOM 0 HG23 THR A 22 -1.337 -11.885 -0.725 1.00 5.33 H new ATOM 330 N LYS A 23 -1.365 -9.285 -0.845 1.00 14.31 N ATOM 331 CA LYS A 23 -2.640 -8.544 -0.897 1.00 63.04 C ATOM 332 C LYS A 23 -2.403 -7.085 -1.326 1.00 43.23 C ATOM 333 O LYS A 23 -3.168 -6.540 -2.126 1.00 43.10 O ATOM 334 CB LYS A 23 -3.362 -8.593 0.477 1.00 24.30 C ATOM 335 CG LYS A 23 -3.890 -9.989 0.920 1.00 3.55 C ATOM 336 CD LYS A 23 -5.269 -10.387 0.313 1.00 70.02 C ATOM 337 CE LYS A 23 -5.228 -10.795 -1.167 1.00 15.41 C ATOM 338 NZ LYS A 23 -4.356 -11.976 -1.389 1.00 63.24 N ATOM 0 H LYS A 23 -1.085 -9.565 0.095 1.00 14.31 H new ATOM 0 HA LYS A 23 -3.280 -9.023 -1.638 1.00 63.04 H new ATOM 0 HB2 LYS A 23 -2.674 -8.228 1.240 1.00 24.30 H new ATOM 0 HB3 LYS A 23 -4.203 -7.901 0.448 1.00 24.30 H new ATOM 0 HG2 LYS A 23 -3.155 -10.745 0.643 1.00 3.55 H new ATOM 0 HG3 LYS A 23 -3.969 -10.004 2.007 1.00 3.55 H new ATOM 0 HD2 LYS A 23 -5.680 -11.214 0.892 1.00 70.02 H new ATOM 0 HD3 LYS A 23 -5.955 -9.548 0.425 1.00 70.02 H new ATOM 0 HE2 LYS A 23 -6.238 -11.019 -1.510 1.00 15.41 H new ATOM 0 HE3 LYS A 23 -4.866 -9.958 -1.765 1.00 15.41 H new ATOM 0 HZ1 LYS A 23 -4.627 -12.446 -2.277 1.00 63.24 H new ATOM 0 HZ2 LYS A 23 -3.364 -11.669 -1.448 1.00 63.24 H new ATOM 0 HZ3 LYS A 23 -4.465 -12.642 -0.598 1.00 63.24 H new ATOM 352 N LEU A 24 -1.334 -6.477 -0.769 1.00 34.15 N ATOM 353 CA LEU A 24 -0.920 -5.096 -1.073 1.00 23.50 C ATOM 354 C LEU A 24 -0.631 -4.903 -2.568 1.00 60.40 C ATOM 355 O LEU A 24 -1.174 -3.992 -3.180 1.00 60.04 O ATOM 356 CB LEU A 24 0.334 -4.710 -0.243 1.00 75.31 C ATOM 357 CG LEU A 24 0.882 -3.266 -0.474 1.00 51.24 C ATOM 358 CD1 LEU A 24 -0.154 -2.195 -0.060 1.00 42.41 C ATOM 359 CD2 LEU A 24 2.228 -3.064 0.245 1.00 23.23 C ATOM 0 H LEU A 24 -0.730 -6.938 -0.089 1.00 34.15 H new ATOM 0 HA LEU A 24 -1.750 -4.443 -0.803 1.00 23.50 H new ATOM 0 HB2 LEU A 24 0.096 -4.823 0.815 1.00 75.31 H new ATOM 0 HB3 LEU A 24 1.129 -5.421 -0.469 1.00 75.31 H new ATOM 0 HG LEU A 24 1.059 -3.144 -1.543 1.00 51.24 H new ATOM 0 HD11 LEU A 24 0.260 -1.202 -0.234 1.00 42.41 H new ATOM 0 HD12 LEU A 24 -1.061 -2.319 -0.651 1.00 42.41 H new ATOM 0 HD13 LEU A 24 -0.392 -2.309 0.998 1.00 42.41 H new ATOM 0 HD21 LEU A 24 2.587 -2.050 0.067 1.00 23.23 H new ATOM 0 HD22 LEU A 24 2.096 -3.220 1.316 1.00 23.23 H new ATOM 0 HD23 LEU A 24 2.956 -3.779 -0.138 1.00 23.23 H new ATOM 371 N TRP A 25 0.227 -5.774 -3.130 1.00 21.32 N ATOM 372 CA TRP A 25 0.638 -5.723 -4.548 1.00 50.12 C ATOM 373 C TRP A 25 -0.588 -5.786 -5.485 1.00 64.05 C ATOM 374 O TRP A 25 -0.707 -4.992 -6.423 1.00 0.14 O ATOM 375 CB TRP A 25 1.614 -6.891 -4.840 1.00 11.12 C ATOM 376 CG TRP A 25 2.238 -6.868 -6.220 1.00 70.03 C ATOM 377 CD1 TRP A 25 3.407 -6.253 -6.584 1.00 63.20 C ATOM 378 CD2 TRP A 25 1.721 -7.477 -7.420 1.00 22.45 C ATOM 379 NE1 TRP A 25 3.644 -6.452 -7.920 1.00 22.14 N ATOM 380 CE2 TRP A 25 2.629 -7.198 -8.452 1.00 1.52 C ATOM 381 CE3 TRP A 25 0.582 -8.238 -7.714 1.00 61.42 C ATOM 382 CZ2 TRP A 25 2.435 -7.649 -9.753 1.00 43.00 C ATOM 383 CZ3 TRP A 25 0.390 -8.684 -9.006 1.00 3.33 C ATOM 384 CH2 TRP A 25 1.315 -8.391 -10.010 1.00 71.53 C ATOM 0 H TRP A 25 0.658 -6.539 -2.611 1.00 21.32 H new ATOM 0 HA TRP A 25 1.143 -4.776 -4.736 1.00 50.12 H new ATOM 0 HB2 TRP A 25 2.411 -6.875 -4.096 1.00 11.12 H new ATOM 0 HB3 TRP A 25 1.080 -7.833 -4.714 1.00 11.12 H new ATOM 0 HD1 TRP A 25 4.047 -5.694 -5.917 1.00 63.20 H new ATOM 0 HE1 TRP A 25 4.450 -6.099 -8.436 1.00 22.14 H new ATOM 0 HE3 TRP A 25 -0.135 -8.472 -6.941 1.00 61.42 H new ATOM 0 HZ2 TRP A 25 3.145 -7.421 -10.534 1.00 43.00 H new ATOM 0 HZ3 TRP A 25 -0.487 -9.267 -9.244 1.00 3.33 H new ATOM 0 HH2 TRP A 25 1.142 -8.758 -11.011 1.00 71.53 H new ATOM 395 N THR A 26 -1.477 -6.756 -5.195 1.00 3.25 N ATOM 396 CA THR A 26 -2.733 -6.973 -5.931 1.00 42.01 C ATOM 397 C THR A 26 -3.658 -5.734 -5.836 1.00 61.04 C ATOM 398 O THR A 26 -4.324 -5.377 -6.810 1.00 34.13 O ATOM 399 CB THR A 26 -3.458 -8.244 -5.374 1.00 23.32 C ATOM 400 OG1 THR A 26 -2.554 -9.363 -5.402 1.00 73.11 O ATOM 401 CG2 THR A 26 -4.719 -8.617 -6.170 1.00 0.24 C ATOM 0 H THR A 26 -1.339 -7.419 -4.432 1.00 3.25 H new ATOM 0 HA THR A 26 -2.496 -7.128 -6.983 1.00 42.01 H new ATOM 0 HB THR A 26 -3.767 -8.006 -4.356 1.00 23.32 H new ATOM 0 HG1 THR A 26 -1.997 -9.353 -4.596 1.00 73.11 H new ATOM 0 HG21 THR A 26 -5.175 -9.506 -5.734 1.00 0.24 H new ATOM 0 HG22 THR A 26 -5.429 -7.791 -6.135 1.00 0.24 H new ATOM 0 HG23 THR A 26 -4.448 -8.819 -7.206 1.00 0.24 H new ATOM 409 N LEU A 27 -3.656 -5.083 -4.656 1.00 13.31 N ATOM 410 CA LEU A 27 -4.460 -3.872 -4.366 1.00 43.12 C ATOM 411 C LEU A 27 -3.963 -2.650 -5.167 1.00 70.13 C ATOM 412 O LEU A 27 -4.760 -1.892 -5.729 1.00 51.33 O ATOM 413 CB LEU A 27 -4.406 -3.594 -2.833 1.00 0.34 C ATOM 414 CG LEU A 27 -5.079 -2.285 -2.321 1.00 42.43 C ATOM 415 CD1 LEU A 27 -6.555 -2.209 -2.744 1.00 62.54 C ATOM 416 CD2 LEU A 27 -4.922 -2.149 -0.789 1.00 11.22 C ATOM 0 H LEU A 27 -3.089 -5.385 -3.864 1.00 13.31 H new ATOM 0 HA LEU A 27 -5.491 -4.048 -4.674 1.00 43.12 H new ATOM 0 HB2 LEU A 27 -4.872 -4.436 -2.321 1.00 0.34 H new ATOM 0 HB3 LEU A 27 -3.359 -3.576 -2.530 1.00 0.34 H new ATOM 0 HG LEU A 27 -4.567 -1.442 -2.786 1.00 42.43 H new ATOM 0 HD11 LEU A 27 -6.993 -1.284 -2.370 1.00 62.54 H new ATOM 0 HD12 LEU A 27 -6.623 -2.230 -3.832 1.00 62.54 H new ATOM 0 HD13 LEU A 27 -7.096 -3.060 -2.330 1.00 62.54 H new ATOM 0 HD21 LEU A 27 -5.399 -1.228 -0.455 1.00 11.22 H new ATOM 0 HD22 LEU A 27 -5.393 -3.001 -0.298 1.00 11.22 H new ATOM 0 HD23 LEU A 27 -3.863 -2.122 -0.533 1.00 11.22 H new ATOM 428 N VAL A 28 -2.640 -2.475 -5.192 1.00 35.42 N ATOM 429 CA VAL A 28 -1.962 -1.409 -5.950 1.00 35.13 C ATOM 430 C VAL A 28 -2.197 -1.584 -7.465 1.00 24.15 C ATOM 431 O VAL A 28 -2.498 -0.620 -8.178 1.00 21.14 O ATOM 432 CB VAL A 28 -0.428 -1.432 -5.601 1.00 31.23 C ATOM 433 CG1 VAL A 28 0.394 -0.473 -6.483 1.00 33.01 C ATOM 434 CG2 VAL A 28 -0.217 -1.114 -4.100 1.00 50.33 C ATOM 0 H VAL A 28 -1.995 -3.077 -4.680 1.00 35.42 H new ATOM 0 HA VAL A 28 -2.375 -0.440 -5.671 1.00 35.13 H new ATOM 0 HB VAL A 28 -0.064 -2.438 -5.810 1.00 31.23 H new ATOM 0 HG11 VAL A 28 1.445 -0.529 -6.200 1.00 33.01 H new ATOM 0 HG12 VAL A 28 0.285 -0.757 -7.530 1.00 33.01 H new ATOM 0 HG13 VAL A 28 0.035 0.547 -6.345 1.00 33.01 H new ATOM 0 HG21 VAL A 28 0.848 -1.133 -3.870 1.00 50.33 H new ATOM 0 HG22 VAL A 28 -0.619 -0.125 -3.878 1.00 50.33 H new ATOM 0 HG23 VAL A 28 -0.732 -1.860 -3.494 1.00 50.33 H new ATOM 444 N SER A 29 -2.107 -2.846 -7.917 1.00 51.21 N ATOM 445 CA SER A 29 -2.303 -3.228 -9.326 1.00 22.12 C ATOM 446 C SER A 29 -3.812 -3.341 -9.685 1.00 2.14 C ATOM 447 O SER A 29 -4.157 -3.658 -10.832 1.00 54.44 O ATOM 448 CB SER A 29 -1.569 -4.568 -9.599 1.00 22.35 C ATOM 449 OG SER A 29 -1.649 -4.946 -10.962 1.00 1.44 O ATOM 0 H SER A 29 -1.894 -3.637 -7.309 1.00 51.21 H new ATOM 0 HA SER A 29 -1.883 -2.447 -9.960 1.00 22.12 H new ATOM 0 HB2 SER A 29 -0.522 -4.474 -9.309 1.00 22.35 H new ATOM 0 HB3 SER A 29 -2.003 -5.352 -8.979 1.00 22.35 H new ATOM 0 HG SER A 29 -2.507 -4.653 -11.333 1.00 1.44 H new ATOM 455 N ASP A 30 -4.701 -3.084 -8.706 1.00 42.32 N ATOM 456 CA ASP A 30 -6.163 -3.157 -8.888 1.00 63.13 C ATOM 457 C ASP A 30 -6.714 -1.813 -9.428 1.00 62.43 C ATOM 458 O ASP A 30 -6.464 -0.764 -8.827 1.00 21.35 O ATOM 459 CB ASP A 30 -6.856 -3.517 -7.545 1.00 22.52 C ATOM 460 CG ASP A 30 -8.382 -3.645 -7.670 1.00 35.51 C ATOM 461 OD1 ASP A 30 -8.873 -4.714 -8.103 1.00 14.41 O ATOM 462 OD2 ASP A 30 -9.092 -2.688 -7.338 1.00 62.33 O ATOM 0 H ASP A 30 -4.423 -2.818 -7.761 1.00 42.32 H new ATOM 0 HA ASP A 30 -6.379 -3.938 -9.617 1.00 63.13 H new ATOM 0 HB2 ASP A 30 -6.448 -4.457 -7.173 1.00 22.52 H new ATOM 0 HB3 ASP A 30 -6.621 -2.752 -6.805 1.00 22.52 H new ATOM 467 N PRO A 31 -7.468 -1.833 -10.579 1.00 45.01 N ATOM 468 CA PRO A 31 -8.030 -0.604 -11.198 1.00 44.25 C ATOM 469 C PRO A 31 -9.364 -0.129 -10.568 1.00 34.14 C ATOM 470 O PRO A 31 -9.833 0.957 -10.896 1.00 14.13 O ATOM 471 CB PRO A 31 -8.234 -1.048 -12.667 1.00 10.02 C ATOM 472 CG PRO A 31 -8.614 -2.497 -12.558 1.00 60.31 C ATOM 473 CD PRO A 31 -7.810 -3.046 -11.388 1.00 12.20 C ATOM 0 HA PRO A 31 -7.375 0.257 -11.064 1.00 44.25 H new ATOM 0 HB2 PRO A 31 -9.016 -0.466 -13.155 1.00 10.02 H new ATOM 0 HB3 PRO A 31 -7.325 -0.917 -13.254 1.00 10.02 H new ATOM 0 HG2 PRO A 31 -9.684 -2.609 -12.385 1.00 60.31 H new ATOM 0 HG3 PRO A 31 -8.382 -3.033 -13.478 1.00 60.31 H new ATOM 0 HD2 PRO A 31 -8.390 -3.762 -10.807 1.00 12.20 H new ATOM 0 HD3 PRO A 31 -6.913 -3.564 -11.728 1.00 12.20 H new ATOM 481 N ASP A 32 -9.986 -0.951 -9.702 1.00 32.13 N ATOM 482 CA ASP A 32 -11.285 -0.617 -9.051 1.00 3.32 C ATOM 483 C ASP A 32 -11.082 0.282 -7.817 1.00 33.20 C ATOM 484 O ASP A 32 -11.938 1.114 -7.498 1.00 4.31 O ATOM 485 CB ASP A 32 -12.021 -1.928 -8.658 1.00 63.22 C ATOM 486 CG ASP A 32 -13.337 -1.723 -7.873 1.00 21.51 C ATOM 487 OD1 ASP A 32 -14.403 -1.571 -8.508 1.00 51.32 O ATOM 488 OD2 ASP A 32 -13.317 -1.736 -6.621 1.00 64.10 O ATOM 0 H ASP A 32 -9.613 -1.860 -9.430 1.00 32.13 H new ATOM 0 HA ASP A 32 -11.895 -0.060 -9.762 1.00 3.32 H new ATOM 0 HB2 ASP A 32 -12.240 -2.491 -9.565 1.00 63.22 H new ATOM 0 HB3 ASP A 32 -11.348 -2.540 -8.058 1.00 63.22 H new ATOM 493 N THR A 33 -9.932 0.128 -7.144 1.00 25.31 N ATOM 494 CA THR A 33 -9.621 0.875 -5.907 1.00 42.51 C ATOM 495 C THR A 33 -8.684 2.065 -6.210 1.00 45.44 C ATOM 496 O THR A 33 -8.243 2.760 -5.286 1.00 42.45 O ATOM 497 CB THR A 33 -8.973 -0.055 -4.825 1.00 31.50 C ATOM 498 OG1 THR A 33 -7.807 -0.692 -5.367 1.00 61.23 O ATOM 499 CG2 THR A 33 -9.954 -1.129 -4.310 1.00 55.34 C ATOM 0 H THR A 33 -9.193 -0.512 -7.436 1.00 25.31 H new ATOM 0 HA THR A 33 -10.561 1.256 -5.509 1.00 42.51 H new ATOM 0 HB THR A 33 -8.700 0.575 -3.978 1.00 31.50 H new ATOM 0 HG1 THR A 33 -8.079 -1.379 -6.011 1.00 61.23 H new ATOM 0 HG21 THR A 33 -9.457 -1.747 -3.563 1.00 55.34 H new ATOM 0 HG22 THR A 33 -10.821 -0.644 -3.862 1.00 55.34 H new ATOM 0 HG23 THR A 33 -10.278 -1.755 -5.142 1.00 55.34 H new ATOM 507 N ASP A 34 -8.449 2.320 -7.523 1.00 2.25 N ATOM 508 CA ASP A 34 -7.503 3.343 -8.034 1.00 5.34 C ATOM 509 C ASP A 34 -7.833 4.766 -7.539 1.00 12.00 C ATOM 510 O ASP A 34 -6.958 5.646 -7.527 1.00 64.11 O ATOM 511 CB ASP A 34 -7.480 3.310 -9.592 1.00 71.10 C ATOM 512 CG ASP A 34 -8.723 3.937 -10.259 1.00 74.22 C ATOM 513 OD1 ASP A 34 -9.856 3.648 -9.827 1.00 31.21 O ATOM 514 OD2 ASP A 34 -8.575 4.718 -11.224 1.00 25.43 O ATOM 0 H ASP A 34 -8.921 1.810 -8.269 1.00 2.25 H new ATOM 0 HA ASP A 34 -6.518 3.093 -7.640 1.00 5.34 H new ATOM 0 HB2 ASP A 34 -6.591 3.835 -9.942 1.00 71.10 H new ATOM 0 HB3 ASP A 34 -7.389 2.275 -9.921 1.00 71.10 H new ATOM 519 N ALA A 35 -9.106 4.974 -7.160 1.00 4.35 N ATOM 520 CA ALA A 35 -9.600 6.248 -6.616 1.00 51.12 C ATOM 521 C ALA A 35 -8.868 6.653 -5.318 1.00 72.21 C ATOM 522 O ALA A 35 -8.575 7.838 -5.114 1.00 1.13 O ATOM 523 CB ALA A 35 -11.118 6.162 -6.388 1.00 13.01 C ATOM 0 H ALA A 35 -9.826 4.255 -7.224 1.00 4.35 H new ATOM 0 HA ALA A 35 -9.390 7.028 -7.348 1.00 51.12 H new ATOM 0 HB1 ALA A 35 -11.480 7.108 -5.985 1.00 13.01 H new ATOM 0 HB2 ALA A 35 -11.617 5.957 -7.335 1.00 13.01 H new ATOM 0 HB3 ALA A 35 -11.335 5.360 -5.682 1.00 13.01 H new ATOM 529 N LEU A 36 -8.559 5.658 -4.454 1.00 74.55 N ATOM 530 CA LEU A 36 -7.890 5.899 -3.152 1.00 0.44 C ATOM 531 C LEU A 36 -6.515 5.210 -3.075 1.00 74.21 C ATOM 532 O LEU A 36 -5.778 5.451 -2.122 1.00 10.25 O ATOM 533 CB LEU A 36 -8.786 5.435 -1.958 1.00 42.22 C ATOM 534 CG LEU A 36 -10.182 6.132 -1.810 1.00 3.31 C ATOM 535 CD1 LEU A 36 -10.891 5.685 -0.512 1.00 42.44 C ATOM 536 CD2 LEU A 36 -10.062 7.674 -1.866 1.00 23.33 C ATOM 0 H LEU A 36 -8.763 4.675 -4.636 1.00 74.55 H new ATOM 0 HA LEU A 36 -7.734 6.975 -3.076 1.00 0.44 H new ATOM 0 HB2 LEU A 36 -8.951 4.362 -2.054 1.00 42.22 H new ATOM 0 HB3 LEU A 36 -8.229 5.591 -1.034 1.00 42.22 H new ATOM 0 HG LEU A 36 -10.791 5.818 -2.658 1.00 3.31 H new ATOM 0 HD11 LEU A 36 -11.857 6.184 -0.435 1.00 42.44 H new ATOM 0 HD12 LEU A 36 -11.041 4.606 -0.532 1.00 42.44 H new ATOM 0 HD13 LEU A 36 -10.276 5.950 0.348 1.00 42.44 H new ATOM 0 HD21 LEU A 36 -11.051 8.120 -1.760 1.00 23.33 H new ATOM 0 HD22 LEU A 36 -9.420 8.019 -1.056 1.00 23.33 H new ATOM 0 HD23 LEU A 36 -9.631 7.971 -2.822 1.00 23.33 H new ATOM 548 N ILE A 37 -6.180 4.330 -4.046 1.00 70.33 N ATOM 549 CA ILE A 37 -4.847 3.693 -4.098 1.00 65.52 C ATOM 550 C ILE A 37 -4.513 3.175 -5.507 1.00 35.23 C ATOM 551 O ILE A 37 -5.242 2.367 -6.082 1.00 43.51 O ATOM 552 CB ILE A 37 -4.693 2.534 -3.031 1.00 74.22 C ATOM 553 CG1 ILE A 37 -3.245 1.922 -3.054 1.00 12.12 C ATOM 554 CG2 ILE A 37 -5.785 1.445 -3.201 1.00 65.44 C ATOM 555 CD1 ILE A 37 -2.949 0.912 -1.952 1.00 2.25 C ATOM 0 H ILE A 37 -6.809 4.048 -4.797 1.00 70.33 H new ATOM 0 HA ILE A 37 -4.129 4.473 -3.845 1.00 65.52 H new ATOM 0 HB ILE A 37 -4.841 2.977 -2.046 1.00 74.22 H new ATOM 0 HG12 ILE A 37 -3.087 1.440 -4.019 1.00 12.12 H new ATOM 0 HG13 ILE A 37 -2.523 2.735 -2.983 1.00 12.12 H new ATOM 0 HG21 ILE A 37 -5.644 0.668 -2.450 1.00 65.44 H new ATOM 0 HG22 ILE A 37 -6.770 1.895 -3.077 1.00 65.44 H new ATOM 0 HG23 ILE A 37 -5.709 1.006 -4.196 1.00 65.44 H new ATOM 0 HD11 ILE A 37 -1.926 0.550 -2.056 1.00 2.25 H new ATOM 0 HD12 ILE A 37 -3.068 1.389 -0.979 1.00 2.25 H new ATOM 0 HD13 ILE A 37 -3.641 0.073 -2.032 1.00 2.25 H new ATOM 567 N CYS A 38 -3.396 3.665 -6.054 1.00 22.30 N ATOM 568 CA CYS A 38 -2.871 3.235 -7.355 1.00 32.24 C ATOM 569 C CYS A 38 -1.350 3.418 -7.386 1.00 15.22 C ATOM 570 O CYS A 38 -0.794 4.212 -6.608 1.00 11.43 O ATOM 571 CB CYS A 38 -3.534 4.041 -8.497 1.00 43.22 C ATOM 572 SG CYS A 38 -2.972 3.589 -10.156 1.00 42.24 S ATOM 0 H CYS A 38 -2.825 4.379 -5.602 1.00 22.30 H new ATOM 0 HA CYS A 38 -3.104 2.180 -7.500 1.00 32.24 H new ATOM 0 HB2 CYS A 38 -4.614 3.904 -8.443 1.00 43.22 H new ATOM 0 HB3 CYS A 38 -3.339 5.101 -8.337 1.00 43.22 H new ATOM 0 HG CYS A 38 -1.719 3.909 -10.292 1.00 42.24 H new ATOM 578 N TRP A 39 -0.692 2.686 -8.298 1.00 13.53 N ATOM 579 CA TRP A 39 0.766 2.777 -8.525 1.00 4.43 C ATOM 580 C TRP A 39 1.134 4.111 -9.199 1.00 50.20 C ATOM 581 O TRP A 39 0.314 4.719 -9.898 1.00 65.35 O ATOM 582 CB TRP A 39 1.288 1.562 -9.377 1.00 54.11 C ATOM 583 CG TRP A 39 0.361 1.114 -10.503 1.00 62.52 C ATOM 584 CD1 TRP A 39 -0.567 0.111 -10.445 1.00 3.02 C ATOM 585 CD2 TRP A 39 0.278 1.636 -11.843 1.00 31.44 C ATOM 586 NE1 TRP A 39 -1.222 -0.010 -11.644 1.00 64.11 N ATOM 587 CE2 TRP A 39 -0.724 0.910 -12.517 1.00 54.11 C ATOM 588 CE3 TRP A 39 0.947 2.644 -12.529 1.00 74.42 C ATOM 589 CZ2 TRP A 39 -1.070 1.164 -13.838 1.00 53.45 C ATOM 590 CZ3 TRP A 39 0.607 2.898 -13.841 1.00 64.14 C ATOM 591 CH2 TRP A 39 -0.393 2.161 -14.486 1.00 1.25 C ATOM 0 H TRP A 39 -1.156 2.009 -8.904 1.00 13.53 H new ATOM 0 HA TRP A 39 1.255 2.738 -7.552 1.00 4.43 H new ATOM 0 HB2 TRP A 39 2.254 1.828 -9.807 1.00 54.11 H new ATOM 0 HB3 TRP A 39 1.458 0.717 -8.710 1.00 54.11 H new ATOM 0 HD1 TRP A 39 -0.758 -0.501 -9.576 1.00 3.02 H new ATOM 0 HE1 TRP A 39 -1.963 -0.681 -11.849 1.00 64.11 H new ATOM 0 HE3 TRP A 39 1.721 3.219 -12.042 1.00 74.42 H new ATOM 0 HZ2 TRP A 39 -1.843 0.597 -14.334 1.00 53.45 H new ATOM 0 HZ3 TRP A 39 1.121 3.679 -14.380 1.00 64.14 H new ATOM 0 HH2 TRP A 39 -0.635 2.384 -15.515 1.00 1.25 H new ATOM 602 N SER A 40 2.371 4.553 -8.959 1.00 14.12 N ATOM 603 CA SER A 40 2.986 5.688 -9.659 1.00 54.44 C ATOM 604 C SER A 40 3.348 5.259 -11.107 1.00 21.43 C ATOM 605 O SER A 40 3.541 4.065 -11.325 1.00 52.32 O ATOM 606 CB SER A 40 4.240 6.122 -8.859 1.00 21.34 C ATOM 607 OG SER A 40 3.901 6.464 -7.519 1.00 54.22 O ATOM 0 H SER A 40 2.984 4.128 -8.263 1.00 14.12 H new ATOM 0 HA SER A 40 2.301 6.533 -9.726 1.00 54.44 H new ATOM 0 HB2 SER A 40 4.972 5.314 -8.857 1.00 21.34 H new ATOM 0 HB3 SER A 40 4.709 6.976 -9.348 1.00 21.34 H new ATOM 0 HG SER A 40 3.435 7.326 -7.509 1.00 54.22 H new ATOM 613 N PRO A 41 3.437 6.216 -12.108 1.00 62.03 N ATOM 614 CA PRO A 41 3.692 5.900 -13.556 1.00 1.03 C ATOM 615 C PRO A 41 4.783 4.829 -13.833 1.00 21.34 C ATOM 616 O PRO A 41 4.705 4.109 -14.837 1.00 42.03 O ATOM 617 CB PRO A 41 4.111 7.269 -14.137 1.00 64.21 C ATOM 618 CG PRO A 41 3.319 8.261 -13.336 1.00 52.43 C ATOM 619 CD PRO A 41 3.258 7.691 -11.924 1.00 40.40 C ATOM 0 HA PRO A 41 2.806 5.452 -14.006 1.00 1.03 H new ATOM 0 HB2 PRO A 41 5.183 7.436 -14.032 1.00 64.21 H new ATOM 0 HB3 PRO A 41 3.880 7.339 -15.200 1.00 64.21 H new ATOM 0 HG2 PRO A 41 3.796 9.241 -13.343 1.00 52.43 H new ATOM 0 HG3 PRO A 41 2.319 8.390 -13.750 1.00 52.43 H new ATOM 0 HD2 PRO A 41 4.041 8.110 -11.292 1.00 40.40 H new ATOM 0 HD3 PRO A 41 2.306 7.919 -11.445 1.00 40.40 H new ATOM 627 N SER A 42 5.802 4.753 -12.955 1.00 33.42 N ATOM 628 CA SER A 42 6.857 3.722 -13.035 1.00 42.44 C ATOM 629 C SER A 42 6.335 2.357 -12.528 1.00 54.32 C ATOM 630 O SER A 42 6.493 1.326 -13.196 1.00 12.54 O ATOM 631 CB SER A 42 8.077 4.160 -12.202 1.00 2.12 C ATOM 632 OG SER A 42 7.717 4.344 -10.841 1.00 50.43 O ATOM 0 H SER A 42 5.918 5.400 -12.175 1.00 33.42 H new ATOM 0 HA SER A 42 7.151 3.609 -14.079 1.00 42.44 H new ATOM 0 HB2 SER A 42 8.863 3.409 -12.277 1.00 2.12 H new ATOM 0 HB3 SER A 42 8.484 5.088 -12.604 1.00 2.12 H new ATOM 0 HG SER A 42 8.494 4.168 -10.270 1.00 50.43 H new ATOM 638 N GLY A 43 5.705 2.380 -11.332 1.00 31.21 N ATOM 639 CA GLY A 43 5.166 1.180 -10.672 1.00 3.44 C ATOM 640 C GLY A 43 6.002 0.710 -9.481 1.00 52.34 C ATOM 641 O GLY A 43 5.790 -0.393 -8.976 1.00 51.24 O ATOM 0 H GLY A 43 5.558 3.237 -10.799 1.00 31.21 H new ATOM 0 HA2 GLY A 43 4.151 1.386 -10.334 1.00 3.44 H new ATOM 0 HA3 GLY A 43 5.101 0.372 -11.401 1.00 3.44 H new ATOM 645 N ASN A 44 6.932 1.565 -9.005 1.00 23.24 N ATOM 646 CA ASN A 44 7.881 1.208 -7.911 1.00 53.31 C ATOM 647 C ASN A 44 7.341 1.659 -6.536 1.00 3.54 C ATOM 648 O ASN A 44 7.875 1.281 -5.485 1.00 22.11 O ATOM 649 CB ASN A 44 9.278 1.842 -8.178 1.00 21.11 C ATOM 650 CG ASN A 44 9.332 3.372 -8.009 1.00 53.33 C ATOM 651 OD1 ASN A 44 8.347 4.089 -8.211 1.00 61.55 O ATOM 652 ND2 ASN A 44 10.492 3.889 -7.644 1.00 64.02 N ATOM 0 H ASN A 44 7.052 2.514 -9.359 1.00 23.24 H new ATOM 0 HA ASN A 44 7.984 0.123 -7.894 1.00 53.31 H new ATOM 0 HB2 ASN A 44 10.003 1.389 -7.501 1.00 21.11 H new ATOM 0 HB3 ASN A 44 9.588 1.591 -9.192 1.00 21.11 H new ATOM 0 HD21 ASN A 44 10.586 4.898 -7.524 1.00 64.02 H new ATOM 0 HD22 ASN A 44 11.294 3.279 -7.482 1.00 64.02 H new ATOM 659 N SER A 45 6.276 2.471 -6.570 1.00 13.51 N ATOM 660 CA SER A 45 5.657 3.073 -5.381 1.00 33.45 C ATOM 661 C SER A 45 4.143 3.212 -5.616 1.00 24.20 C ATOM 662 O SER A 45 3.669 3.011 -6.744 1.00 43.22 O ATOM 663 CB SER A 45 6.311 4.451 -5.088 1.00 71.24 C ATOM 664 OG SER A 45 6.362 5.270 -6.249 1.00 63.14 O ATOM 0 H SER A 45 5.812 2.733 -7.440 1.00 13.51 H new ATOM 0 HA SER A 45 5.816 2.435 -4.512 1.00 33.45 H new ATOM 0 HB2 SER A 45 5.747 4.962 -4.307 1.00 71.24 H new ATOM 0 HB3 SER A 45 7.320 4.300 -4.705 1.00 71.24 H new ATOM 0 HG SER A 45 6.992 4.885 -6.894 1.00 63.14 H new ATOM 670 N PHE A 46 3.387 3.555 -4.559 1.00 3.32 N ATOM 671 CA PHE A 46 1.919 3.717 -4.641 1.00 70.43 C ATOM 672 C PHE A 46 1.446 4.858 -3.734 1.00 31.54 C ATOM 673 O PHE A 46 2.098 5.182 -2.747 1.00 11.13 O ATOM 674 CB PHE A 46 1.197 2.393 -4.279 1.00 2.32 C ATOM 675 CG PHE A 46 1.462 1.858 -2.867 1.00 32.33 C ATOM 676 CD1 PHE A 46 2.610 1.113 -2.589 1.00 22.32 C ATOM 677 CD2 PHE A 46 0.558 2.082 -1.824 1.00 34.44 C ATOM 678 CE1 PHE A 46 2.845 0.614 -1.324 1.00 5.45 C ATOM 679 CE2 PHE A 46 0.796 1.579 -0.560 1.00 1.15 C ATOM 680 CZ PHE A 46 1.938 0.845 -0.310 1.00 64.33 C ATOM 0 H PHE A 46 3.769 3.727 -3.629 1.00 3.32 H new ATOM 0 HA PHE A 46 1.664 3.972 -5.670 1.00 70.43 H new ATOM 0 HB2 PHE A 46 0.124 2.542 -4.396 1.00 2.32 H new ATOM 0 HB3 PHE A 46 1.493 1.630 -4.999 1.00 2.32 H new ATOM 0 HD1 PHE A 46 3.325 0.924 -3.376 1.00 22.32 H new ATOM 0 HD2 PHE A 46 -0.338 2.656 -2.009 1.00 34.44 H new ATOM 0 HE1 PHE A 46 3.740 0.042 -1.127 1.00 5.45 H new ATOM 0 HE2 PHE A 46 0.087 1.760 0.234 1.00 1.15 H new ATOM 0 HZ PHE A 46 2.122 0.452 0.679 1.00 64.33 H new ATOM 690 N HIS A 47 0.290 5.435 -4.076 1.00 31.22 N ATOM 691 CA HIS A 47 -0.297 6.589 -3.377 1.00 4.43 C ATOM 692 C HIS A 47 -1.577 6.150 -2.661 1.00 52.20 C ATOM 693 O HIS A 47 -2.250 5.234 -3.124 1.00 34.10 O ATOM 694 CB HIS A 47 -0.624 7.703 -4.403 1.00 45.14 C ATOM 695 CG HIS A 47 0.581 8.239 -5.128 1.00 1.22 C ATOM 696 ND1 HIS A 47 1.126 9.469 -4.863 1.00 5.14 N ATOM 697 CD2 HIS A 47 1.328 7.715 -6.131 1.00 12.31 C ATOM 698 CE1 HIS A 47 2.149 9.677 -5.650 1.00 33.05 C ATOM 699 NE2 HIS A 47 2.300 8.631 -6.435 1.00 62.44 N ATOM 0 H HIS A 47 -0.276 5.110 -4.860 1.00 31.22 H new ATOM 0 HA HIS A 47 0.412 6.974 -2.644 1.00 4.43 H new ATOM 0 HB2 HIS A 47 -1.332 7.313 -5.134 1.00 45.14 H new ATOM 0 HB3 HIS A 47 -1.120 8.525 -3.886 1.00 45.14 H new ATOM 0 HD1 HIS A 47 0.785 10.123 -4.158 1.00 5.14 H new ATOM 0 HD2 HIS A 47 1.183 6.754 -6.602 1.00 12.31 H new ATOM 0 HE1 HIS A 47 2.768 10.562 -5.655 1.00 33.05 H new ATOM 708 N VAL A 48 -1.898 6.810 -1.538 1.00 52.52 N ATOM 709 CA VAL A 48 -3.133 6.568 -0.766 1.00 1.45 C ATOM 710 C VAL A 48 -3.863 7.913 -0.579 1.00 20.51 C ATOM 711 O VAL A 48 -3.225 8.937 -0.345 1.00 62.45 O ATOM 712 CB VAL A 48 -2.823 5.901 0.637 1.00 64.11 C ATOM 713 CG1 VAL A 48 -4.095 5.758 1.509 1.00 13.21 C ATOM 714 CG2 VAL A 48 -2.125 4.526 0.458 1.00 40.33 C ATOM 0 H VAL A 48 -1.304 7.534 -1.134 1.00 52.52 H new ATOM 0 HA VAL A 48 -3.766 5.871 -1.315 1.00 1.45 H new ATOM 0 HB VAL A 48 -2.142 6.570 1.163 1.00 64.11 H new ATOM 0 HG11 VAL A 48 -3.833 5.296 2.461 1.00 13.21 H new ATOM 0 HG12 VAL A 48 -4.525 6.743 1.690 1.00 13.21 H new ATOM 0 HG13 VAL A 48 -4.823 5.134 0.991 1.00 13.21 H new ATOM 0 HG21 VAL A 48 -1.924 4.090 1.437 1.00 40.33 H new ATOM 0 HG22 VAL A 48 -2.774 3.859 -0.109 1.00 40.33 H new ATOM 0 HG23 VAL A 48 -1.186 4.662 -0.079 1.00 40.33 H new ATOM 724 N PHE A 49 -5.198 7.898 -0.713 1.00 31.24 N ATOM 725 CA PHE A 49 -6.053 9.079 -0.490 1.00 43.21 C ATOM 726 C PHE A 49 -7.135 8.727 0.538 1.00 73.02 C ATOM 727 O PHE A 49 -7.632 7.594 0.548 1.00 71.14 O ATOM 728 CB PHE A 49 -6.718 9.549 -1.811 1.00 60.13 C ATOM 729 CG PHE A 49 -5.748 10.111 -2.850 1.00 51.04 C ATOM 730 CD1 PHE A 49 -5.349 11.449 -2.803 1.00 22.41 C ATOM 731 CD2 PHE A 49 -5.241 9.306 -3.877 1.00 50.52 C ATOM 732 CE1 PHE A 49 -4.479 11.964 -3.746 1.00 31.11 C ATOM 733 CE2 PHE A 49 -4.372 9.826 -4.820 1.00 20.34 C ATOM 734 CZ PHE A 49 -3.996 11.153 -4.755 1.00 32.01 C ATOM 0 H PHE A 49 -5.719 7.063 -0.980 1.00 31.24 H new ATOM 0 HA PHE A 49 -5.432 9.894 -0.118 1.00 43.21 H new ATOM 0 HB2 PHE A 49 -7.254 8.708 -2.251 1.00 60.13 H new ATOM 0 HB3 PHE A 49 -7.460 10.312 -1.577 1.00 60.13 H new ATOM 0 HD1 PHE A 49 -5.725 12.090 -2.019 1.00 22.41 H new ATOM 0 HD2 PHE A 49 -5.531 8.267 -3.934 1.00 50.52 H new ATOM 0 HE1 PHE A 49 -4.177 13.000 -3.694 1.00 31.11 H new ATOM 0 HE2 PHE A 49 -3.988 9.194 -5.607 1.00 20.34 H new ATOM 0 HZ PHE A 49 -3.322 11.558 -5.495 1.00 32.01 H new ATOM 744 N ASP A 50 -7.500 9.741 1.345 1.00 70.22 N ATOM 745 CA ASP A 50 -8.488 9.658 2.443 1.00 41.00 C ATOM 746 C ASP A 50 -8.279 8.404 3.315 1.00 32.01 C ATOM 747 O ASP A 50 -9.001 7.423 3.158 1.00 43.02 O ATOM 748 CB ASP A 50 -9.957 9.735 1.922 1.00 61.24 C ATOM 749 CG ASP A 50 -10.936 10.299 2.979 1.00 64.21 C ATOM 750 OD1 ASP A 50 -11.162 9.648 4.021 1.00 41.54 O ATOM 751 OD2 ASP A 50 -11.449 11.425 2.790 1.00 51.03 O ATOM 0 H ASP A 50 -7.102 10.675 1.249 1.00 70.22 H new ATOM 0 HA ASP A 50 -8.318 10.531 3.073 1.00 41.00 H new ATOM 0 HB2 ASP A 50 -9.990 10.362 1.031 1.00 61.24 H new ATOM 0 HB3 ASP A 50 -10.285 8.739 1.623 1.00 61.24 H new ATOM 756 N GLN A 51 -7.261 8.448 4.190 1.00 62.54 N ATOM 757 CA GLN A 51 -6.902 7.347 5.104 1.00 63.14 C ATOM 758 C GLN A 51 -8.109 6.820 5.922 1.00 25.31 C ATOM 759 O GLN A 51 -8.142 5.642 6.270 1.00 43.41 O ATOM 760 CB GLN A 51 -5.748 7.790 6.051 1.00 21.21 C ATOM 761 CG GLN A 51 -4.384 7.998 5.347 1.00 54.34 C ATOM 762 CD GLN A 51 -3.226 8.244 6.323 1.00 62.41 C ATOM 763 OE1 GLN A 51 -2.950 9.382 6.714 1.00 64.31 O ATOM 764 NE2 GLN A 51 -2.538 7.183 6.723 1.00 53.05 N ATOM 0 H GLN A 51 -6.654 9.262 4.285 1.00 62.54 H new ATOM 0 HA GLN A 51 -6.565 6.517 4.484 1.00 63.14 H new ATOM 0 HB2 GLN A 51 -6.035 8.720 6.542 1.00 21.21 H new ATOM 0 HB3 GLN A 51 -5.628 7.040 6.833 1.00 21.21 H new ATOM 0 HG2 GLN A 51 -4.159 7.120 4.741 1.00 54.34 H new ATOM 0 HG3 GLN A 51 -4.461 8.845 4.665 1.00 54.34 H new ATOM 0 HE21 GLN A 51 -2.789 6.255 6.383 1.00 53.05 H new ATOM 0 HE22 GLN A 51 -1.758 7.295 7.370 1.00 53.05 H new ATOM 773 N GLY A 52 -9.088 7.703 6.204 1.00 32.24 N ATOM 774 CA GLY A 52 -10.305 7.327 6.928 1.00 64.51 C ATOM 775 C GLY A 52 -11.221 6.409 6.114 1.00 4.32 C ATOM 776 O GLY A 52 -11.645 5.354 6.604 1.00 10.05 O ATOM 0 H GLY A 52 -9.052 8.687 5.936 1.00 32.24 H new ATOM 0 HA2 GLY A 52 -10.030 6.827 7.857 1.00 64.51 H new ATOM 0 HA3 GLY A 52 -10.853 8.229 7.202 1.00 64.51 H new ATOM 780 N GLN A 53 -11.506 6.797 4.858 1.00 23.12 N ATOM 781 CA GLN A 53 -12.437 6.063 3.969 1.00 11.54 C ATOM 782 C GLN A 53 -11.767 4.781 3.438 1.00 61.02 C ATOM 783 O GLN A 53 -12.396 3.720 3.359 1.00 35.41 O ATOM 784 CB GLN A 53 -12.881 6.975 2.790 1.00 14.23 C ATOM 785 CG GLN A 53 -13.986 6.379 1.884 1.00 44.20 C ATOM 786 CD GLN A 53 -15.300 6.088 2.628 1.00 53.10 C ATOM 787 OE1 GLN A 53 -15.678 6.787 3.568 1.00 12.21 O ATOM 788 NE2 GLN A 53 -15.992 5.044 2.230 1.00 11.31 N ATOM 0 H GLN A 53 -11.100 7.627 4.427 1.00 23.12 H new ATOM 0 HA GLN A 53 -13.321 5.779 4.540 1.00 11.54 H new ATOM 0 HB2 GLN A 53 -13.236 7.922 3.196 1.00 14.23 H new ATOM 0 HB3 GLN A 53 -12.009 7.199 2.175 1.00 14.23 H new ATOM 0 HG2 GLN A 53 -14.187 7.071 1.066 1.00 44.20 H new ATOM 0 HG3 GLN A 53 -13.619 5.455 1.437 1.00 44.20 H new ATOM 0 HE21 GLN A 53 -15.659 4.479 1.449 1.00 11.31 H new ATOM 0 HE22 GLN A 53 -16.862 4.798 2.703 1.00 11.31 H new ATOM 797 N PHE A 54 -10.479 4.923 3.087 1.00 60.11 N ATOM 798 CA PHE A 54 -9.593 3.833 2.642 1.00 44.32 C ATOM 799 C PHE A 54 -9.523 2.720 3.701 1.00 20.01 C ATOM 800 O PHE A 54 -9.685 1.540 3.386 1.00 71.03 O ATOM 801 CB PHE A 54 -8.184 4.440 2.346 1.00 25.44 C ATOM 802 CG PHE A 54 -7.073 3.446 1.999 1.00 61.04 C ATOM 803 CD1 PHE A 54 -6.862 3.024 0.689 1.00 2.32 C ATOM 804 CD2 PHE A 54 -6.226 2.945 2.988 1.00 22.11 C ATOM 805 CE1 PHE A 54 -5.846 2.135 0.390 1.00 73.32 C ATOM 806 CE2 PHE A 54 -5.214 2.060 2.680 1.00 74.12 C ATOM 807 CZ PHE A 54 -5.024 1.653 1.384 1.00 52.34 C ATOM 0 H PHE A 54 -10.010 5.828 3.105 1.00 60.11 H new ATOM 0 HA PHE A 54 -9.985 3.375 1.734 1.00 44.32 H new ATOM 0 HB2 PHE A 54 -8.282 5.144 1.520 1.00 25.44 H new ATOM 0 HB3 PHE A 54 -7.869 5.013 3.218 1.00 25.44 H new ATOM 0 HD1 PHE A 54 -7.498 3.395 -0.101 1.00 2.32 H new ATOM 0 HD2 PHE A 54 -6.365 3.256 4.013 1.00 22.11 H new ATOM 0 HE1 PHE A 54 -5.696 1.816 -0.631 1.00 73.32 H new ATOM 0 HE2 PHE A 54 -4.569 1.686 3.462 1.00 74.12 H new ATOM 0 HZ PHE A 54 -4.233 0.958 1.144 1.00 52.34 H new ATOM 817 N ALA A 55 -9.287 3.109 4.960 1.00 4.42 N ATOM 818 CA ALA A 55 -9.224 2.151 6.072 1.00 53.11 C ATOM 819 C ALA A 55 -10.586 1.478 6.339 1.00 4.42 C ATOM 820 O ALA A 55 -10.640 0.331 6.789 1.00 62.34 O ATOM 821 CB ALA A 55 -8.695 2.833 7.336 1.00 20.15 C ATOM 0 H ALA A 55 -9.137 4.080 5.235 1.00 4.42 H new ATOM 0 HA ALA A 55 -8.531 1.361 5.783 1.00 53.11 H new ATOM 0 HB1 ALA A 55 -8.655 2.109 8.150 1.00 20.15 H new ATOM 0 HB2 ALA A 55 -7.695 3.223 7.147 1.00 20.15 H new ATOM 0 HB3 ALA A 55 -9.358 3.653 7.612 1.00 20.15 H new ATOM 827 N LYS A 56 -11.674 2.198 6.027 1.00 60.12 N ATOM 828 CA LYS A 56 -13.054 1.743 6.267 1.00 72.21 C ATOM 829 C LYS A 56 -13.473 0.620 5.294 1.00 32.35 C ATOM 830 O LYS A 56 -14.056 -0.380 5.731 1.00 11.41 O ATOM 831 CB LYS A 56 -14.017 2.979 6.216 1.00 5.31 C ATOM 832 CG LYS A 56 -15.546 2.687 6.064 1.00 2.12 C ATOM 833 CD LYS A 56 -16.035 2.725 4.587 1.00 30.42 C ATOM 834 CE LYS A 56 -17.480 2.220 4.407 1.00 14.12 C ATOM 835 NZ LYS A 56 -17.633 0.782 4.774 1.00 1.03 N ATOM 0 H LYS A 56 -11.621 3.121 5.597 1.00 60.12 H new ATOM 0 HA LYS A 56 -13.116 1.298 7.260 1.00 72.21 H new ATOM 0 HB2 LYS A 56 -13.873 3.558 7.128 1.00 5.31 H new ATOM 0 HB3 LYS A 56 -13.710 3.613 5.384 1.00 5.31 H new ATOM 0 HG2 LYS A 56 -15.766 1.707 6.487 1.00 2.12 H new ATOM 0 HG3 LYS A 56 -16.108 3.418 6.645 1.00 2.12 H new ATOM 0 HD2 LYS A 56 -15.967 3.748 4.216 1.00 30.42 H new ATOM 0 HD3 LYS A 56 -15.367 2.118 3.975 1.00 30.42 H new ATOM 0 HE2 LYS A 56 -18.151 2.821 5.021 1.00 14.12 H new ATOM 0 HE3 LYS A 56 -17.784 2.361 3.370 1.00 14.12 H new ATOM 0 HZ1 LYS A 56 -18.565 0.442 4.463 1.00 1.03 H new ATOM 0 HZ2 LYS A 56 -16.888 0.224 4.310 1.00 1.03 H new ATOM 0 HZ3 LYS A 56 -17.552 0.676 5.805 1.00 1.03 H new ATOM 849 N GLU A 57 -13.195 0.781 3.981 1.00 11.35 N ATOM 850 CA GLU A 57 -13.681 -0.172 2.935 1.00 43.55 C ATOM 851 C GLU A 57 -12.556 -1.023 2.305 1.00 33.32 C ATOM 852 O GLU A 57 -12.741 -2.222 2.085 1.00 13.25 O ATOM 853 CB GLU A 57 -14.470 0.588 1.821 1.00 43.43 C ATOM 854 CG GLU A 57 -13.719 1.769 1.172 1.00 15.14 C ATOM 855 CD GLU A 57 -14.403 2.311 -0.093 1.00 61.52 C ATOM 856 OE1 GLU A 57 -15.332 3.127 0.027 1.00 41.44 O ATOM 857 OE2 GLU A 57 -14.016 1.926 -1.212 1.00 75.10 O ATOM 0 H GLU A 57 -12.641 1.554 3.613 1.00 11.35 H new ATOM 0 HA GLU A 57 -14.346 -0.867 3.447 1.00 43.55 H new ATOM 0 HB2 GLU A 57 -14.740 -0.123 1.040 1.00 43.43 H new ATOM 0 HB3 GLU A 57 -15.401 0.961 2.248 1.00 43.43 H new ATOM 0 HG2 GLU A 57 -13.628 2.575 1.900 1.00 15.14 H new ATOM 0 HG3 GLU A 57 -12.707 1.451 0.920 1.00 15.14 H new ATOM 864 N VAL A 58 -11.398 -0.410 2.045 1.00 32.53 N ATOM 865 CA VAL A 58 -10.324 -1.024 1.233 1.00 71.45 C ATOM 866 C VAL A 58 -9.489 -2.029 2.063 1.00 40.55 C ATOM 867 O VAL A 58 -9.157 -3.134 1.578 1.00 43.31 O ATOM 868 CB VAL A 58 -9.398 0.097 0.639 1.00 35.55 C ATOM 869 CG1 VAL A 58 -8.252 -0.489 -0.202 1.00 0.52 C ATOM 870 CG2 VAL A 58 -10.218 1.118 -0.189 1.00 62.31 C ATOM 0 H VAL A 58 -11.171 0.524 2.387 1.00 32.53 H new ATOM 0 HA VAL A 58 -10.789 -1.577 0.417 1.00 71.45 H new ATOM 0 HB VAL A 58 -8.950 0.620 1.483 1.00 35.55 H new ATOM 0 HG11 VAL A 58 -7.637 0.321 -0.593 1.00 0.52 H new ATOM 0 HG12 VAL A 58 -7.640 -1.141 0.421 1.00 0.52 H new ATOM 0 HG13 VAL A 58 -8.666 -1.063 -1.031 1.00 0.52 H new ATOM 0 HG21 VAL A 58 -9.551 1.882 -0.588 1.00 62.31 H new ATOM 0 HG22 VAL A 58 -10.714 0.604 -1.012 1.00 62.31 H new ATOM 0 HG23 VAL A 58 -10.966 1.587 0.450 1.00 62.31 H new ATOM 880 N LEU A 59 -9.150 -1.639 3.313 1.00 43.24 N ATOM 881 CA LEU A 59 -8.361 -2.497 4.222 1.00 5.51 C ATOM 882 C LEU A 59 -9.101 -3.820 4.583 1.00 22.24 C ATOM 883 O LEU A 59 -8.500 -4.872 4.433 1.00 31.43 O ATOM 884 CB LEU A 59 -7.887 -1.744 5.504 1.00 54.43 C ATOM 885 CG LEU A 59 -6.839 -0.603 5.299 1.00 60.24 C ATOM 886 CD1 LEU A 59 -6.319 -0.090 6.654 1.00 51.41 C ATOM 887 CD2 LEU A 59 -5.674 -1.048 4.395 1.00 51.10 C ATOM 0 H LEU A 59 -9.410 -0.738 3.713 1.00 43.24 H new ATOM 0 HA LEU A 59 -7.465 -2.769 3.665 1.00 5.51 H new ATOM 0 HB2 LEU A 59 -8.763 -1.318 5.992 1.00 54.43 H new ATOM 0 HB3 LEU A 59 -7.463 -2.476 6.192 1.00 54.43 H new ATOM 0 HG LEU A 59 -7.346 0.218 4.791 1.00 60.24 H new ATOM 0 HD11 LEU A 59 -5.591 0.704 6.487 1.00 51.41 H new ATOM 0 HD12 LEU A 59 -7.152 0.299 7.240 1.00 51.41 H new ATOM 0 HD13 LEU A 59 -5.846 -0.909 7.196 1.00 51.41 H new ATOM 0 HD21 LEU A 59 -4.969 -0.225 4.279 1.00 51.10 H new ATOM 0 HD22 LEU A 59 -5.166 -1.900 4.848 1.00 51.10 H new ATOM 0 HD23 LEU A 59 -6.061 -1.335 3.417 1.00 51.10 H new ATOM 899 N PRO A 60 -10.409 -3.824 5.051 1.00 22.32 N ATOM 900 CA PRO A 60 -11.143 -5.101 5.343 1.00 42.24 C ATOM 901 C PRO A 60 -11.452 -5.927 4.075 1.00 75.14 C ATOM 902 O PRO A 60 -11.865 -7.087 4.176 1.00 31.03 O ATOM 903 CB PRO A 60 -12.455 -4.622 6.017 1.00 2.51 C ATOM 904 CG PRO A 60 -12.661 -3.242 5.477 1.00 62.33 C ATOM 905 CD PRO A 60 -11.273 -2.643 5.358 1.00 63.24 C ATOM 0 HA PRO A 60 -10.547 -5.769 5.964 1.00 42.24 H new ATOM 0 HB2 PRO A 60 -13.292 -5.276 5.770 1.00 2.51 H new ATOM 0 HB3 PRO A 60 -12.366 -4.616 7.103 1.00 2.51 H new ATOM 0 HG2 PRO A 60 -13.161 -3.270 4.509 1.00 62.33 H new ATOM 0 HG3 PRO A 60 -13.289 -2.650 6.143 1.00 62.33 H new ATOM 0 HD2 PRO A 60 -11.225 -1.894 4.567 1.00 63.24 H new ATOM 0 HD3 PRO A 60 -10.967 -2.151 6.282 1.00 63.24 H new ATOM 913 N LYS A 61 -11.285 -5.307 2.892 1.00 10.22 N ATOM 914 CA LYS A 61 -11.483 -5.981 1.602 1.00 24.11 C ATOM 915 C LYS A 61 -10.305 -6.933 1.309 1.00 71.35 C ATOM 916 O LYS A 61 -10.497 -8.150 1.178 1.00 24.34 O ATOM 917 CB LYS A 61 -11.640 -4.933 0.474 1.00 52.21 C ATOM 918 CG LYS A 61 -11.979 -5.529 -0.905 1.00 15.42 C ATOM 919 CD LYS A 61 -12.120 -4.448 -1.996 1.00 44.42 C ATOM 920 CE LYS A 61 -12.540 -5.036 -3.348 1.00 14.30 C ATOM 921 NZ LYS A 61 -13.874 -5.685 -3.302 1.00 54.04 N ATOM 0 H LYS A 61 -11.010 -4.328 2.807 1.00 10.22 H new ATOM 0 HA LYS A 61 -12.396 -6.575 1.648 1.00 24.11 H new ATOM 0 HB2 LYS A 61 -12.424 -4.229 0.755 1.00 52.21 H new ATOM 0 HB3 LYS A 61 -10.714 -4.363 0.393 1.00 52.21 H new ATOM 0 HG2 LYS A 61 -11.199 -6.234 -1.195 1.00 15.42 H new ATOM 0 HG3 LYS A 61 -12.909 -6.094 -0.835 1.00 15.42 H new ATOM 0 HD2 LYS A 61 -12.856 -3.709 -1.679 1.00 44.42 H new ATOM 0 HD3 LYS A 61 -11.171 -3.924 -2.109 1.00 44.42 H new ATOM 0 HE2 LYS A 61 -12.552 -4.243 -4.096 1.00 14.30 H new ATOM 0 HE3 LYS A 61 -11.797 -5.766 -3.669 1.00 14.30 H new ATOM 0 HZ1 LYS A 61 -14.190 -5.898 -4.270 1.00 54.04 H new ATOM 0 HZ2 LYS A 61 -13.812 -6.568 -2.756 1.00 54.04 H new ATOM 0 HZ3 LYS A 61 -14.556 -5.044 -2.848 1.00 54.04 H new ATOM 935 N TYR A 62 -9.089 -6.367 1.222 1.00 74.21 N ATOM 936 CA TYR A 62 -7.868 -7.153 0.938 1.00 54.14 C ATOM 937 C TYR A 62 -7.288 -7.742 2.225 1.00 62.04 C ATOM 938 O TYR A 62 -7.132 -8.957 2.348 1.00 12.23 O ATOM 939 CB TYR A 62 -6.817 -6.291 0.184 1.00 44.25 C ATOM 940 CG TYR A 62 -7.155 -6.119 -1.304 1.00 33.33 C ATOM 941 CD1 TYR A 62 -8.211 -5.300 -1.712 1.00 42.52 C ATOM 942 CD2 TYR A 62 -6.450 -6.814 -2.294 1.00 33.33 C ATOM 943 CE1 TYR A 62 -8.543 -5.170 -3.044 1.00 72.51 C ATOM 944 CE2 TYR A 62 -6.787 -6.690 -3.626 1.00 11.01 C ATOM 945 CZ TYR A 62 -7.828 -5.868 -3.996 1.00 73.32 C ATOM 946 OH TYR A 62 -8.162 -5.757 -5.322 1.00 12.13 O ATOM 0 H TYR A 62 -8.922 -5.368 1.344 1.00 74.21 H new ATOM 0 HA TYR A 62 -8.141 -7.984 0.288 1.00 54.14 H new ATOM 0 HB2 TYR A 62 -6.752 -5.310 0.654 1.00 44.25 H new ATOM 0 HB3 TYR A 62 -5.836 -6.756 0.279 1.00 44.25 H new ATOM 0 HD1 TYR A 62 -8.778 -4.758 -0.970 1.00 42.52 H new ATOM 0 HD2 TYR A 62 -5.630 -7.457 -2.011 1.00 33.33 H new ATOM 0 HE1 TYR A 62 -9.358 -4.526 -3.340 1.00 72.51 H new ATOM 0 HE2 TYR A 62 -6.236 -7.236 -4.377 1.00 11.01 H new ATOM 0 HH TYR A 62 -7.559 -6.312 -5.859 1.00 12.13 H new ATOM 956 N PHE A 63 -7.009 -6.876 3.193 1.00 12.22 N ATOM 957 CA PHE A 63 -6.381 -7.277 4.467 1.00 42.42 C ATOM 958 C PHE A 63 -7.474 -7.725 5.455 1.00 3.20 C ATOM 959 O PHE A 63 -8.667 -7.697 5.126 1.00 35.34 O ATOM 960 CB PHE A 63 -5.538 -6.097 5.016 1.00 42.23 C ATOM 961 CG PHE A 63 -4.603 -5.506 3.963 1.00 1.23 C ATOM 962 CD1 PHE A 63 -3.423 -6.152 3.607 1.00 64.35 C ATOM 963 CD2 PHE A 63 -4.930 -4.327 3.296 1.00 15.34 C ATOM 964 CE1 PHE A 63 -2.602 -5.629 2.625 1.00 1.53 C ATOM 965 CE2 PHE A 63 -4.111 -3.813 2.315 1.00 74.42 C ATOM 966 CZ PHE A 63 -2.945 -4.462 1.982 1.00 44.30 C ATOM 0 H PHE A 63 -7.207 -5.878 3.127 1.00 12.22 H new ATOM 0 HA PHE A 63 -5.708 -8.121 4.316 1.00 42.42 H new ATOM 0 HB2 PHE A 63 -6.206 -5.317 5.383 1.00 42.23 H new ATOM 0 HB3 PHE A 63 -4.950 -6.440 5.868 1.00 42.23 H new ATOM 0 HD1 PHE A 63 -3.146 -7.071 4.102 1.00 64.35 H new ATOM 0 HD2 PHE A 63 -5.841 -3.807 3.553 1.00 15.34 H new ATOM 0 HE1 PHE A 63 -1.687 -6.139 2.361 1.00 1.53 H new ATOM 0 HE2 PHE A 63 -4.385 -2.900 1.807 1.00 74.42 H new ATOM 0 HZ PHE A 63 -2.300 -4.056 1.217 1.00 44.30 H new ATOM 976 N LYS A 64 -7.083 -8.131 6.670 1.00 2.50 N ATOM 977 CA LYS A 64 -8.008 -8.757 7.641 1.00 21.24 C ATOM 978 C LYS A 64 -8.206 -7.829 8.856 1.00 65.43 C ATOM 979 O LYS A 64 -8.339 -8.281 10.001 1.00 22.54 O ATOM 980 CB LYS A 64 -7.434 -10.145 8.040 1.00 53.34 C ATOM 981 CG LYS A 64 -7.211 -11.094 6.840 1.00 22.34 C ATOM 982 CD LYS A 64 -6.572 -12.444 7.231 1.00 41.44 C ATOM 983 CE LYS A 64 -6.335 -13.346 6.008 1.00 52.24 C ATOM 984 NZ LYS A 64 -5.726 -14.647 6.382 1.00 4.21 N ATOM 0 H LYS A 64 -6.126 -8.039 7.011 1.00 2.50 H new ATOM 0 HA LYS A 64 -8.993 -8.907 7.199 1.00 21.24 H new ATOM 0 HB2 LYS A 64 -6.486 -10.001 8.559 1.00 53.34 H new ATOM 0 HB3 LYS A 64 -8.115 -10.620 8.746 1.00 53.34 H new ATOM 0 HG2 LYS A 64 -8.168 -11.282 6.353 1.00 22.34 H new ATOM 0 HG3 LYS A 64 -6.573 -10.598 6.109 1.00 22.34 H new ATOM 0 HD2 LYS A 64 -5.624 -12.263 7.737 1.00 41.44 H new ATOM 0 HD3 LYS A 64 -7.219 -12.959 7.941 1.00 41.44 H new ATOM 0 HE2 LYS A 64 -7.283 -13.523 5.500 1.00 52.24 H new ATOM 0 HE3 LYS A 64 -5.685 -12.832 5.300 1.00 52.24 H new ATOM 0 HZ1 LYS A 64 -5.584 -15.222 5.527 1.00 4.21 H new ATOM 0 HZ2 LYS A 64 -4.809 -14.481 6.844 1.00 4.21 H new ATOM 0 HZ3 LYS A 64 -6.358 -15.150 7.037 1.00 4.21 H new ATOM 998 N HIS A 65 -8.287 -6.520 8.562 1.00 12.14 N ATOM 999 CA HIS A 65 -8.410 -5.453 9.568 1.00 31.21 C ATOM 1000 C HIS A 65 -8.905 -4.173 8.890 1.00 22.30 C ATOM 1001 O HIS A 65 -8.813 -4.045 7.672 1.00 14.50 O ATOM 1002 CB HIS A 65 -7.047 -5.184 10.269 1.00 74.42 C ATOM 1003 CG HIS A 65 -5.949 -4.668 9.358 1.00 24.51 C ATOM 1004 ND1 HIS A 65 -5.684 -3.325 9.174 1.00 63.14 N ATOM 1005 CD2 HIS A 65 -5.042 -5.326 8.593 1.00 42.22 C ATOM 1006 CE1 HIS A 65 -4.669 -3.186 8.348 1.00 25.02 C ATOM 1007 NE2 HIS A 65 -4.256 -4.381 7.978 1.00 21.52 N ATOM 0 H HIS A 65 -8.269 -6.169 7.604 1.00 12.14 H new ATOM 0 HA HIS A 65 -9.124 -5.772 10.327 1.00 31.21 H new ATOM 0 HB2 HIS A 65 -7.204 -4.461 11.070 1.00 74.42 H new ATOM 0 HB3 HIS A 65 -6.707 -6.108 10.736 1.00 74.42 H new ATOM 0 HD2 HIS A 65 -4.954 -6.397 8.487 1.00 42.22 H new ATOM 0 HE1 HIS A 65 -4.244 -2.247 8.026 1.00 25.02 H new ATOM 0 HE2 HIS A 65 -3.482 -4.573 7.342 1.00 21.52 H new ATOM 1016 N ASN A 66 -9.385 -3.212 9.694 1.00 70.11 N ATOM 1017 CA ASN A 66 -9.815 -1.875 9.199 1.00 12.22 C ATOM 1018 C ASN A 66 -8.886 -0.786 9.753 1.00 70.20 C ATOM 1019 O ASN A 66 -8.988 0.377 9.369 1.00 42.02 O ATOM 1020 CB ASN A 66 -11.285 -1.527 9.580 1.00 65.34 C ATOM 1021 CG ASN A 66 -12.324 -2.544 9.116 1.00 73.31 C ATOM 1022 OD1 ASN A 66 -12.107 -3.753 9.176 1.00 43.23 O ATOM 1023 ND2 ASN A 66 -13.461 -2.069 8.624 1.00 5.02 N ATOM 0 H ASN A 66 -9.490 -3.329 10.702 1.00 70.11 H new ATOM 0 HA ASN A 66 -9.758 -1.916 8.111 1.00 12.22 H new ATOM 0 HB2 ASN A 66 -11.351 -1.429 10.664 1.00 65.34 H new ATOM 0 HB3 ASN A 66 -11.535 -0.554 9.156 1.00 65.34 H new ATOM 0 HD21 ASN A 66 -14.178 -2.711 8.285 1.00 5.02 H new ATOM 0 HD22 ASN A 66 -13.618 -1.062 8.584 1.00 5.02 H new ATOM 1030 N ASN A 67 -7.996 -1.185 10.679 1.00 72.20 N ATOM 1031 CA ASN A 67 -7.068 -0.272 11.362 1.00 24.11 C ATOM 1032 C ASN A 67 -6.009 0.264 10.390 1.00 34.01 C ATOM 1033 O ASN A 67 -5.140 -0.490 9.933 1.00 71.24 O ATOM 1034 CB ASN A 67 -6.392 -0.989 12.563 1.00 54.03 C ATOM 1035 CG ASN A 67 -7.343 -1.266 13.736 1.00 52.51 C ATOM 1036 OD1 ASN A 67 -8.534 -1.508 13.544 1.00 63.35 O ATOM 1037 ND2 ASN A 67 -6.827 -1.248 14.957 1.00 62.14 N ATOM 0 H ASN A 67 -7.901 -2.157 10.975 1.00 72.20 H new ATOM 0 HA ASN A 67 -7.640 0.576 11.738 1.00 24.11 H new ATOM 0 HB2 ASN A 67 -5.970 -1.933 12.219 1.00 54.03 H new ATOM 0 HB3 ASN A 67 -5.561 -0.379 12.917 1.00 54.03 H new ATOM 0 HD21 ASN A 67 -7.421 -1.438 15.764 1.00 62.14 H new ATOM 0 HD22 ASN A 67 -5.836 -1.045 15.089 1.00 62.14 H new ATOM 1044 N MET A 68 -6.127 1.566 10.058 1.00 43.52 N ATOM 1045 CA MET A 68 -5.113 2.333 9.303 1.00 44.52 C ATOM 1046 C MET A 68 -3.756 2.270 10.016 1.00 34.25 C ATOM 1047 O MET A 68 -2.713 2.138 9.373 1.00 52.25 O ATOM 1048 CB MET A 68 -5.573 3.815 9.170 1.00 43.23 C ATOM 1049 CG MET A 68 -4.635 4.769 8.383 1.00 54.41 C ATOM 1050 SD MET A 68 -4.939 4.796 6.600 1.00 73.23 S ATOM 1051 CE MET A 68 -4.330 3.229 6.021 1.00 63.24 C ATOM 0 H MET A 68 -6.943 2.124 10.311 1.00 43.52 H new ATOM 0 HA MET A 68 -5.005 1.896 8.310 1.00 44.52 H new ATOM 0 HB2 MET A 68 -6.551 3.826 8.688 1.00 43.23 H new ATOM 0 HB3 MET A 68 -5.707 4.221 10.173 1.00 43.23 H new ATOM 0 HG2 MET A 68 -4.749 5.779 8.776 1.00 54.41 H new ATOM 0 HG3 MET A 68 -3.601 4.473 8.560 1.00 54.41 H new ATOM 0 HE1 MET A 68 -3.654 3.389 5.181 1.00 63.24 H new ATOM 0 HE2 MET A 68 -3.795 2.727 6.827 1.00 63.24 H new ATOM 0 HE3 MET A 68 -5.167 2.609 5.700 1.00 63.24 H new ATOM 1061 N ALA A 69 -3.820 2.355 11.359 1.00 22.23 N ATOM 1062 CA ALA A 69 -2.662 2.242 12.247 1.00 21.22 C ATOM 1063 C ALA A 69 -1.859 0.953 11.990 1.00 2.10 C ATOM 1064 O ALA A 69 -0.631 0.989 11.976 1.00 52.24 O ATOM 1065 CB ALA A 69 -3.125 2.311 13.706 1.00 74.13 C ATOM 0 H ALA A 69 -4.696 2.507 11.859 1.00 22.23 H new ATOM 0 HA ALA A 69 -1.993 3.077 12.038 1.00 21.22 H new ATOM 0 HB1 ALA A 69 -2.262 2.227 14.366 1.00 74.13 H new ATOM 0 HB2 ALA A 69 -3.626 3.262 13.884 1.00 74.13 H new ATOM 0 HB3 ALA A 69 -3.817 1.493 13.907 1.00 74.13 H new ATOM 1071 N SER A 70 -2.578 -0.170 11.774 1.00 62.25 N ATOM 1072 CA SER A 70 -1.973 -1.483 11.469 1.00 75.02 C ATOM 1073 C SER A 70 -1.291 -1.488 10.086 1.00 13.03 C ATOM 1074 O SER A 70 -0.193 -2.020 9.947 1.00 23.35 O ATOM 1075 CB SER A 70 -3.053 -2.590 11.539 1.00 72.42 C ATOM 1076 OG SER A 70 -2.534 -3.867 11.194 1.00 74.33 O ATOM 0 H SER A 70 -3.597 -0.190 11.807 1.00 62.25 H new ATOM 0 HA SER A 70 -1.204 -1.680 12.216 1.00 75.02 H new ATOM 0 HB2 SER A 70 -3.468 -2.628 12.546 1.00 72.42 H new ATOM 0 HB3 SER A 70 -3.873 -2.339 10.866 1.00 72.42 H new ATOM 0 HG SER A 70 -3.247 -4.537 11.252 1.00 74.33 H new ATOM 1082 N PHE A 71 -1.943 -0.863 9.080 1.00 71.13 N ATOM 1083 CA PHE A 71 -1.458 -0.845 7.676 1.00 74.34 C ATOM 1084 C PHE A 71 -0.137 -0.059 7.567 1.00 33.12 C ATOM 1085 O PHE A 71 0.854 -0.558 7.021 1.00 11.05 O ATOM 1086 CB PHE A 71 -2.544 -0.226 6.755 1.00 61.35 C ATOM 1087 CG PHE A 71 -2.161 -0.094 5.272 1.00 31.10 C ATOM 1088 CD1 PHE A 71 -2.074 -1.218 4.458 1.00 1.24 C ATOM 1089 CD2 PHE A 71 -1.911 1.155 4.689 1.00 73.12 C ATOM 1090 CE1 PHE A 71 -1.748 -1.104 3.116 1.00 0.01 C ATOM 1091 CE2 PHE A 71 -1.587 1.266 3.348 1.00 4.04 C ATOM 1092 CZ PHE A 71 -1.506 0.136 2.562 1.00 74.12 C ATOM 0 H PHE A 71 -2.818 -0.357 9.215 1.00 71.13 H new ATOM 0 HA PHE A 71 -1.265 -1.869 7.355 1.00 74.34 H new ATOM 0 HB2 PHE A 71 -3.445 -0.835 6.826 1.00 61.35 H new ATOM 0 HB3 PHE A 71 -2.797 0.763 7.136 1.00 61.35 H new ATOM 0 HD1 PHE A 71 -2.263 -2.195 4.878 1.00 1.24 H new ATOM 0 HD2 PHE A 71 -1.972 2.046 5.296 1.00 73.12 H new ATOM 0 HE1 PHE A 71 -1.683 -1.990 2.501 1.00 0.01 H new ATOM 0 HE2 PHE A 71 -1.398 2.238 2.917 1.00 4.04 H new ATOM 0 HZ PHE A 71 -1.254 0.221 1.515 1.00 74.12 H new ATOM 1102 N VAL A 72 -0.161 1.176 8.096 1.00 1.33 N ATOM 1103 CA VAL A 72 1.010 2.063 8.156 1.00 72.55 C ATOM 1104 C VAL A 72 2.145 1.426 9.000 1.00 1.24 C ATOM 1105 O VAL A 72 3.303 1.454 8.581 1.00 23.02 O ATOM 1106 CB VAL A 72 0.598 3.473 8.726 1.00 72.43 C ATOM 1107 CG1 VAL A 72 1.805 4.430 8.839 1.00 2.12 C ATOM 1108 CG2 VAL A 72 -0.525 4.113 7.864 1.00 2.21 C ATOM 0 H VAL A 72 -1.003 1.589 8.497 1.00 1.33 H new ATOM 0 HA VAL A 72 1.392 2.202 7.144 1.00 72.55 H new ATOM 0 HB VAL A 72 0.216 3.310 9.734 1.00 72.43 H new ATOM 0 HG11 VAL A 72 1.473 5.389 9.236 1.00 2.12 H new ATOM 0 HG12 VAL A 72 2.550 3.999 9.508 1.00 2.12 H new ATOM 0 HG13 VAL A 72 2.245 4.579 7.853 1.00 2.12 H new ATOM 0 HG21 VAL A 72 -0.792 5.085 8.278 1.00 2.21 H new ATOM 0 HG22 VAL A 72 -0.171 4.239 6.841 1.00 2.21 H new ATOM 0 HG23 VAL A 72 -1.401 3.464 7.868 1.00 2.21 H new ATOM 1118 N ARG A 73 1.781 0.803 10.150 1.00 74.21 N ATOM 1119 CA ARG A 73 2.741 0.085 11.039 1.00 21.22 C ATOM 1120 C ARG A 73 3.511 -0.999 10.265 1.00 41.04 C ATOM 1121 O ARG A 73 4.741 -1.082 10.370 1.00 71.51 O ATOM 1122 CB ARG A 73 1.996 -0.551 12.254 1.00 25.50 C ATOM 1123 CG ARG A 73 2.796 -1.609 13.059 1.00 74.11 C ATOM 1124 CD ARG A 73 1.994 -2.229 14.220 1.00 61.41 C ATOM 1125 NE ARG A 73 2.688 -3.409 14.772 1.00 23.25 N ATOM 1126 CZ ARG A 73 2.780 -3.738 16.076 1.00 33.15 C ATOM 1127 NH1 ARG A 73 2.239 -2.980 17.022 1.00 34.25 N ATOM 1128 NH2 ARG A 73 3.438 -4.840 16.414 1.00 51.33 N ATOM 0 H ARG A 73 0.819 0.782 10.489 1.00 74.21 H new ATOM 0 HA ARG A 73 3.459 0.816 11.410 1.00 21.22 H new ATOM 0 HB2 ARG A 73 1.701 0.248 12.934 1.00 25.50 H new ATOM 0 HB3 ARG A 73 1.079 -1.015 11.891 1.00 25.50 H new ATOM 0 HG2 ARG A 73 3.116 -2.403 12.384 1.00 74.11 H new ATOM 0 HG3 ARG A 73 3.699 -1.146 13.457 1.00 74.11 H new ATOM 0 HD2 ARG A 73 1.851 -1.487 15.005 1.00 61.41 H new ATOM 0 HD3 ARG A 73 1.003 -2.517 13.869 1.00 61.41 H new ATOM 0 HE ARG A 73 3.140 -4.034 14.104 1.00 23.25 H new ATOM 0 HH11 ARG A 73 1.740 -2.127 16.769 1.00 34.25 H new ATOM 0 HH12 ARG A 73 2.322 -3.250 18.002 1.00 34.25 H new ATOM 0 HH21 ARG A 73 3.863 -5.422 15.692 1.00 51.33 H new ATOM 0 HH22 ARG A 73 3.518 -5.105 17.396 1.00 51.33 H new ATOM 1142 N GLN A 74 2.760 -1.800 9.481 1.00 2.14 N ATOM 1143 CA GLN A 74 3.319 -2.874 8.647 1.00 35.53 C ATOM 1144 C GLN A 74 4.387 -2.314 7.698 1.00 13.33 C ATOM 1145 O GLN A 74 5.529 -2.756 7.734 1.00 34.45 O ATOM 1146 CB GLN A 74 2.199 -3.569 7.826 1.00 20.24 C ATOM 1147 CG GLN A 74 1.257 -4.493 8.620 1.00 65.44 C ATOM 1148 CD GLN A 74 1.945 -5.757 9.128 1.00 63.33 C ATOM 1149 OE1 GLN A 74 2.474 -5.799 10.240 1.00 72.44 O ATOM 1150 NE2 GLN A 74 1.961 -6.798 8.302 1.00 52.34 N ATOM 0 H GLN A 74 1.746 -1.716 9.411 1.00 2.14 H new ATOM 0 HA GLN A 74 3.780 -3.610 9.306 1.00 35.53 H new ATOM 0 HB2 GLN A 74 1.598 -2.798 7.343 1.00 20.24 H new ATOM 0 HB3 GLN A 74 2.666 -4.153 7.033 1.00 20.24 H new ATOM 0 HG2 GLN A 74 0.849 -3.943 9.468 1.00 65.44 H new ATOM 0 HG3 GLN A 74 0.415 -4.774 7.987 1.00 65.44 H new ATOM 0 HE21 GLN A 74 1.514 -6.731 7.388 1.00 52.34 H new ATOM 0 HE22 GLN A 74 2.421 -7.664 8.582 1.00 52.34 H new ATOM 1159 N LEU A 75 3.993 -1.303 6.902 1.00 63.12 N ATOM 1160 CA LEU A 75 4.844 -0.699 5.855 1.00 20.32 C ATOM 1161 C LEU A 75 6.122 -0.071 6.441 1.00 61.41 C ATOM 1162 O LEU A 75 7.206 -0.257 5.891 1.00 4.52 O ATOM 1163 CB LEU A 75 4.012 0.342 5.064 1.00 63.33 C ATOM 1164 CG LEU A 75 2.811 -0.258 4.266 1.00 3.22 C ATOM 1165 CD1 LEU A 75 1.913 0.834 3.696 1.00 21.24 C ATOM 1166 CD2 LEU A 75 3.300 -1.199 3.147 1.00 42.45 C ATOM 0 H LEU A 75 3.068 -0.878 6.966 1.00 63.12 H new ATOM 0 HA LEU A 75 5.175 -1.486 5.177 1.00 20.32 H new ATOM 0 HB2 LEU A 75 3.632 1.089 5.761 1.00 63.33 H new ATOM 0 HB3 LEU A 75 4.671 0.861 4.368 1.00 63.33 H new ATOM 0 HG LEU A 75 2.218 -0.843 4.969 1.00 3.22 H new ATOM 0 HD11 LEU A 75 1.089 0.378 3.148 1.00 21.24 H new ATOM 0 HD12 LEU A 75 1.516 1.440 4.510 1.00 21.24 H new ATOM 0 HD13 LEU A 75 2.492 1.466 3.022 1.00 21.24 H new ATOM 0 HD21 LEU A 75 2.442 -1.601 2.609 1.00 42.45 H new ATOM 0 HD22 LEU A 75 3.934 -0.644 2.456 1.00 42.45 H new ATOM 0 HD23 LEU A 75 3.871 -2.018 3.584 1.00 42.45 H new ATOM 1178 N ASN A 76 5.982 0.637 7.578 1.00 0.11 N ATOM 1179 CA ASN A 76 7.126 1.214 8.324 1.00 12.01 C ATOM 1180 C ASN A 76 8.118 0.120 8.765 1.00 22.54 C ATOM 1181 O ASN A 76 9.335 0.315 8.691 1.00 51.41 O ATOM 1182 CB ASN A 76 6.632 2.040 9.554 1.00 25.54 C ATOM 1183 CG ASN A 76 6.288 3.491 9.204 1.00 4.11 C ATOM 1184 OD1 ASN A 76 7.100 4.397 9.391 1.00 44.22 O ATOM 1185 ND2 ASN A 76 5.116 3.720 8.650 1.00 71.24 N ATOM 0 H ASN A 76 5.077 0.827 8.008 1.00 0.11 H new ATOM 0 HA ASN A 76 7.652 1.889 7.649 1.00 12.01 H new ATOM 0 HB2 ASN A 76 5.752 1.557 9.979 1.00 25.54 H new ATOM 0 HB3 ASN A 76 7.404 2.031 10.324 1.00 25.54 H new ATOM 0 HD21 ASN A 76 4.863 4.666 8.365 1.00 71.24 H new ATOM 0 HD22 ASN A 76 4.461 2.951 8.506 1.00 71.24 H new ATOM 1192 N MET A 77 7.590 -1.037 9.206 1.00 5.35 N ATOM 1193 CA MET A 77 8.427 -2.192 9.595 1.00 64.11 C ATOM 1194 C MET A 77 9.020 -2.886 8.346 1.00 30.41 C ATOM 1195 O MET A 77 10.133 -3.409 8.401 1.00 4.45 O ATOM 1196 CB MET A 77 7.617 -3.204 10.450 1.00 63.01 C ATOM 1197 CG MET A 77 7.154 -2.692 11.823 1.00 72.41 C ATOM 1198 SD MET A 77 6.342 -3.982 12.795 1.00 30.45 S ATOM 1199 CE MET A 77 5.057 -4.525 11.664 1.00 65.22 C ATOM 0 H MET A 77 6.588 -1.199 9.303 1.00 5.35 H new ATOM 0 HA MET A 77 9.251 -1.819 10.203 1.00 64.11 H new ATOM 0 HB2 MET A 77 6.739 -3.511 9.882 1.00 63.01 H new ATOM 0 HB3 MET A 77 8.227 -4.095 10.601 1.00 63.01 H new ATOM 0 HG2 MET A 77 8.013 -2.310 12.375 1.00 72.41 H new ATOM 0 HG3 MET A 77 6.467 -1.857 11.685 1.00 72.41 H new ATOM 0 HE1 MET A 77 4.378 -5.202 12.183 1.00 65.22 H new ATOM 0 HE2 MET A 77 4.501 -3.660 11.303 1.00 65.22 H new ATOM 0 HE3 MET A 77 5.511 -5.043 10.819 1.00 65.22 H new ATOM 1209 N TYR A 78 8.280 -2.848 7.214 1.00 12.33 N ATOM 1210 CA TYR A 78 8.719 -3.435 5.922 1.00 44.32 C ATOM 1211 C TYR A 78 9.720 -2.509 5.183 1.00 31.13 C ATOM 1212 O TYR A 78 10.129 -2.807 4.053 1.00 64.12 O ATOM 1213 CB TYR A 78 7.491 -3.750 5.006 1.00 51.21 C ATOM 1214 CG TYR A 78 6.709 -5.033 5.351 1.00 74.43 C ATOM 1215 CD1 TYR A 78 7.323 -6.288 5.289 1.00 4.34 C ATOM 1216 CD2 TYR A 78 5.359 -4.999 5.708 1.00 1.24 C ATOM 1217 CE1 TYR A 78 6.621 -7.446 5.576 1.00 34.41 C ATOM 1218 CE2 TYR A 78 4.658 -6.152 5.998 1.00 34.11 C ATOM 1219 CZ TYR A 78 5.288 -7.369 5.932 1.00 64.23 C ATOM 1220 OH TYR A 78 4.587 -8.518 6.234 1.00 14.23 O ATOM 0 H TYR A 78 7.360 -2.409 7.168 1.00 12.33 H new ATOM 0 HA TYR A 78 9.233 -4.369 6.149 1.00 44.32 H new ATOM 0 HB2 TYR A 78 6.803 -2.905 5.049 1.00 51.21 H new ATOM 0 HB3 TYR A 78 7.840 -3.825 3.976 1.00 51.21 H new ATOM 0 HD1 TYR A 78 8.365 -6.355 5.012 1.00 4.34 H new ATOM 0 HD2 TYR A 78 4.851 -4.047 5.758 1.00 1.24 H new ATOM 0 HE1 TYR A 78 7.113 -8.406 5.522 1.00 34.41 H new ATOM 0 HE2 TYR A 78 3.616 -6.096 6.276 1.00 34.11 H new ATOM 0 HH TYR A 78 3.663 -8.286 6.465 1.00 14.23 H new ATOM 1230 N GLY A 79 10.097 -1.385 5.818 1.00 73.32 N ATOM 1231 CA GLY A 79 11.134 -0.492 5.292 1.00 10.52 C ATOM 1232 C GLY A 79 10.637 0.465 4.212 1.00 35.12 C ATOM 1233 O GLY A 79 11.456 1.071 3.515 1.00 12.44 O ATOM 0 H GLY A 79 9.693 -1.076 6.702 1.00 73.32 H new ATOM 0 HA2 GLY A 79 11.551 0.089 6.115 1.00 10.52 H new ATOM 0 HA3 GLY A 79 11.946 -1.094 4.884 1.00 10.52 H new ATOM 1237 N PHE A 80 9.302 0.600 4.068 1.00 43.20 N ATOM 1238 CA PHE A 80 8.686 1.568 3.133 1.00 34.31 C ATOM 1239 C PHE A 80 8.822 2.989 3.710 1.00 63.42 C ATOM 1240 O PHE A 80 8.622 3.190 4.915 1.00 74.13 O ATOM 1241 CB PHE A 80 7.173 1.255 2.887 1.00 41.41 C ATOM 1242 CG PHE A 80 6.871 0.042 1.995 1.00 1.43 C ATOM 1243 CD1 PHE A 80 7.219 -1.252 2.388 1.00 61.41 C ATOM 1244 CD2 PHE A 80 6.211 0.196 0.770 1.00 52.44 C ATOM 1245 CE1 PHE A 80 6.921 -2.347 1.588 1.00 60.14 C ATOM 1246 CE2 PHE A 80 5.920 -0.898 -0.026 1.00 71.21 C ATOM 1247 CZ PHE A 80 6.273 -2.168 0.383 1.00 24.31 C ATOM 0 H PHE A 80 8.624 0.046 4.592 1.00 43.20 H new ATOM 0 HA PHE A 80 9.206 1.491 2.178 1.00 34.31 H new ATOM 0 HB2 PHE A 80 6.693 1.098 3.853 1.00 41.41 H new ATOM 0 HB3 PHE A 80 6.709 2.134 2.440 1.00 41.41 H new ATOM 0 HD1 PHE A 80 7.728 -1.403 3.329 1.00 61.41 H new ATOM 0 HD2 PHE A 80 5.924 1.184 0.441 1.00 52.44 H new ATOM 0 HE1 PHE A 80 7.197 -3.340 1.909 1.00 60.14 H new ATOM 0 HE2 PHE A 80 5.415 -0.758 -0.970 1.00 71.21 H new ATOM 0 HZ PHE A 80 6.042 -3.020 -0.239 1.00 24.31 H new ATOM 1257 N ARG A 81 9.142 3.967 2.845 1.00 52.14 N ATOM 1258 CA ARG A 81 9.267 5.381 3.243 1.00 31.33 C ATOM 1259 C ARG A 81 7.990 6.138 2.841 1.00 22.11 C ATOM 1260 O ARG A 81 7.586 6.115 1.671 1.00 34.11 O ATOM 1261 CB ARG A 81 10.525 6.040 2.600 1.00 41.25 C ATOM 1262 CG ARG A 81 10.652 7.565 2.846 1.00 74.23 C ATOM 1263 CD ARG A 81 12.030 8.138 2.462 1.00 34.31 C ATOM 1264 NE ARG A 81 12.420 7.840 1.068 1.00 64.12 N ATOM 1265 CZ ARG A 81 13.190 8.630 0.294 1.00 64.20 C ATOM 1266 NH1 ARG A 81 13.661 9.797 0.738 1.00 4.31 N ATOM 1267 NH2 ARG A 81 13.499 8.231 -0.931 1.00 53.24 N ATOM 0 H ARG A 81 9.321 3.801 1.855 1.00 52.14 H new ATOM 0 HA ARG A 81 9.391 5.432 4.325 1.00 31.33 H new ATOM 0 HB2 ARG A 81 11.416 5.547 2.989 1.00 41.25 H new ATOM 0 HB3 ARG A 81 10.504 5.859 1.525 1.00 41.25 H new ATOM 0 HG2 ARG A 81 9.881 8.082 2.275 1.00 74.23 H new ATOM 0 HG3 ARG A 81 10.462 7.772 3.899 1.00 74.23 H new ATOM 0 HD2 ARG A 81 12.019 9.218 2.606 1.00 34.31 H new ATOM 0 HD3 ARG A 81 12.784 7.734 3.137 1.00 34.31 H new ATOM 0 HE ARG A 81 12.080 6.969 0.660 1.00 64.12 H new ATOM 0 HH11 ARG A 81 13.440 10.110 1.683 1.00 4.31 H new ATOM 0 HH12 ARG A 81 14.242 10.376 0.132 1.00 4.31 H new ATOM 0 HH21 ARG A 81 13.155 7.336 -1.278 1.00 53.24 H new ATOM 0 HH22 ARG A 81 14.081 8.819 -1.527 1.00 53.24 H new ATOM 1281 N LYS A 82 7.360 6.782 3.835 1.00 72.20 N ATOM 1282 CA LYS A 82 6.162 7.607 3.655 1.00 73.42 C ATOM 1283 C LYS A 82 6.581 8.983 3.089 1.00 11.21 C ATOM 1284 O LYS A 82 7.503 9.626 3.610 1.00 55.13 O ATOM 1285 CB LYS A 82 5.433 7.726 5.037 1.00 43.31 C ATOM 1286 CG LYS A 82 4.034 8.407 5.040 1.00 74.53 C ATOM 1287 CD LYS A 82 4.086 9.951 4.929 1.00 33.11 C ATOM 1288 CE LYS A 82 2.709 10.597 5.067 1.00 44.03 C ATOM 1289 NZ LYS A 82 2.126 10.370 6.411 1.00 22.53 N ATOM 0 H LYS A 82 7.677 6.741 4.804 1.00 72.20 H new ATOM 0 HA LYS A 82 5.468 7.158 2.944 1.00 73.42 H new ATOM 0 HB2 LYS A 82 5.323 6.723 5.450 1.00 43.31 H new ATOM 0 HB3 LYS A 82 6.081 8.280 5.716 1.00 43.31 H new ATOM 0 HG2 LYS A 82 3.447 8.013 4.210 1.00 74.53 H new ATOM 0 HG3 LYS A 82 3.511 8.136 5.957 1.00 74.53 H new ATOM 0 HD2 LYS A 82 4.747 10.345 5.701 1.00 33.11 H new ATOM 0 HD3 LYS A 82 4.518 10.228 3.968 1.00 33.11 H new ATOM 0 HE2 LYS A 82 2.790 11.668 4.882 1.00 44.03 H new ATOM 0 HE3 LYS A 82 2.040 10.192 4.308 1.00 44.03 H new ATOM 0 HZ1 LYS A 82 1.307 10.996 6.544 1.00 22.53 H new ATOM 0 HZ2 LYS A 82 1.822 9.379 6.494 1.00 22.53 H new ATOM 0 HZ3 LYS A 82 2.840 10.575 7.138 1.00 22.53 H new ATOM 1303 N VAL A 83 5.891 9.421 2.022 1.00 74.43 N ATOM 1304 CA VAL A 83 6.073 10.733 1.392 1.00 31.11 C ATOM 1305 C VAL A 83 4.683 11.372 1.247 1.00 3.12 C ATOM 1306 O VAL A 83 3.797 10.778 0.631 1.00 11.15 O ATOM 1307 CB VAL A 83 6.755 10.611 -0.025 1.00 35.11 C ATOM 1308 CG1 VAL A 83 6.964 11.998 -0.673 1.00 14.45 C ATOM 1309 CG2 VAL A 83 8.088 9.837 0.057 1.00 14.22 C ATOM 0 H VAL A 83 5.175 8.856 1.565 1.00 74.43 H new ATOM 0 HA VAL A 83 6.729 11.345 2.012 1.00 31.11 H new ATOM 0 HB VAL A 83 6.077 10.044 -0.662 1.00 35.11 H new ATOM 0 HG11 VAL A 83 7.436 11.877 -1.648 1.00 14.45 H new ATOM 0 HG12 VAL A 83 6.000 12.491 -0.795 1.00 14.45 H new ATOM 0 HG13 VAL A 83 7.604 12.606 -0.033 1.00 14.45 H new ATOM 0 HG21 VAL A 83 8.532 9.771 -0.936 1.00 14.22 H new ATOM 0 HG22 VAL A 83 8.772 10.360 0.726 1.00 14.22 H new ATOM 0 HG23 VAL A 83 7.903 8.833 0.439 1.00 14.22 H new ATOM 1319 N VAL A 84 4.484 12.570 1.822 1.00 43.11 N ATOM 1320 CA VAL A 84 3.191 13.276 1.747 1.00 63.30 C ATOM 1321 C VAL A 84 3.259 14.340 0.641 1.00 10.43 C ATOM 1322 O VAL A 84 4.178 15.167 0.621 1.00 40.20 O ATOM 1323 CB VAL A 84 2.766 13.899 3.131 1.00 71.44 C ATOM 1324 CG1 VAL A 84 3.843 14.844 3.712 1.00 24.34 C ATOM 1325 CG2 VAL A 84 1.383 14.596 3.024 1.00 40.42 C ATOM 0 H VAL A 84 5.202 13.071 2.345 1.00 43.11 H new ATOM 0 HA VAL A 84 2.416 12.551 1.498 1.00 63.30 H new ATOM 0 HB VAL A 84 2.673 13.075 3.839 1.00 71.44 H new ATOM 0 HG11 VAL A 84 3.499 15.245 4.665 1.00 24.34 H new ATOM 0 HG12 VAL A 84 4.769 14.290 3.865 1.00 24.34 H new ATOM 0 HG13 VAL A 84 4.021 15.664 3.016 1.00 24.34 H new ATOM 0 HG21 VAL A 84 1.112 15.018 3.992 1.00 40.42 H new ATOM 0 HG22 VAL A 84 1.434 15.393 2.282 1.00 40.42 H new ATOM 0 HG23 VAL A 84 0.631 13.867 2.723 1.00 40.42 H new ATOM 1335 N HIS A 85 2.316 14.276 -0.309 1.00 42.42 N ATOM 1336 CA HIS A 85 2.273 15.195 -1.466 1.00 35.35 C ATOM 1337 C HIS A 85 1.259 16.311 -1.210 1.00 42.34 C ATOM 1338 O HIS A 85 1.559 17.497 -1.397 1.00 43.12 O ATOM 1339 CB HIS A 85 1.929 14.423 -2.769 1.00 72.33 C ATOM 1340 CG HIS A 85 2.968 13.399 -3.172 1.00 42.31 C ATOM 1341 ND1 HIS A 85 3.542 13.354 -4.425 1.00 12.15 N ATOM 1342 CD2 HIS A 85 3.534 12.377 -2.478 1.00 1.25 C ATOM 1343 CE1 HIS A 85 4.407 12.366 -4.472 1.00 63.43 C ATOM 1344 NE2 HIS A 85 4.417 11.759 -3.310 1.00 22.35 N ATOM 0 H HIS A 85 1.562 13.590 -0.302 1.00 42.42 H new ATOM 0 HA HIS A 85 3.258 15.643 -1.594 1.00 35.35 H new ATOM 0 HB2 HIS A 85 0.970 13.921 -2.639 1.00 72.33 H new ATOM 0 HB3 HIS A 85 1.806 15.139 -3.581 1.00 72.33 H new ATOM 0 HD2 HIS A 85 3.322 12.105 -1.454 1.00 1.25 H new ATOM 0 HE1 HIS A 85 5.010 12.098 -5.327 1.00 63.43 H new ATOM 0 HE2 HIS A 85 4.994 10.953 -3.068 1.00 22.35 H new ATOM 1504 N ARG A 96 -7.792 15.777 0.377 1.00 20.30 N ATOM 1505 CA ARG A 96 -7.491 14.351 0.269 1.00 32.40 C ATOM 1506 C ARG A 96 -5.964 14.165 0.340 1.00 12.21 C ATOM 1507 O ARG A 96 -5.253 14.166 -0.671 1.00 13.41 O ATOM 1508 CB ARG A 96 -8.127 13.763 -1.027 1.00 11.24 C ATOM 1509 CG ARG A 96 -7.679 14.448 -2.337 1.00 12.55 C ATOM 1510 CD ARG A 96 -8.517 14.035 -3.545 1.00 51.52 C ATOM 1511 NE ARG A 96 -9.898 14.535 -3.427 1.00 64.01 N ATOM 1512 CZ ARG A 96 -10.544 15.260 -4.355 1.00 22.43 C ATOM 1513 NH1 ARG A 96 -9.952 15.581 -5.499 1.00 50.14 N ATOM 1514 NH2 ARG A 96 -11.774 15.684 -4.115 1.00 63.24 N ATOM 0 HA ARG A 96 -7.931 13.795 1.097 1.00 32.40 H new ATOM 0 HB2 ARG A 96 -7.882 12.702 -1.086 1.00 11.24 H new ATOM 0 HB3 ARG A 96 -9.212 13.836 -0.948 1.00 11.24 H new ATOM 0 HG2 ARG A 96 -7.738 15.529 -2.213 1.00 12.55 H new ATOM 0 HG3 ARG A 96 -6.633 14.206 -2.528 1.00 12.55 H new ATOM 0 HD2 ARG A 96 -8.063 14.423 -4.457 1.00 51.52 H new ATOM 0 HD3 ARG A 96 -8.526 12.948 -3.631 1.00 51.52 H new ATOM 0 HE ARG A 96 -10.405 14.312 -2.570 1.00 64.01 H new ATOM 0 HH11 ARG A 96 -8.996 15.277 -5.681 1.00 50.14 H new ATOM 0 HH12 ARG A 96 -10.453 16.132 -6.196 1.00 50.14 H new ATOM 0 HH21 ARG A 96 -12.227 15.460 -3.229 1.00 63.24 H new ATOM 0 HH22 ARG A 96 -12.269 16.235 -4.816 1.00 63.24 H new ATOM 1528 N ASP A 97 -5.484 14.131 1.586 1.00 4.54 N ATOM 1529 CA ASP A 97 -4.071 13.870 1.941 1.00 15.14 C ATOM 1530 C ASP A 97 -3.498 12.690 1.121 1.00 20.01 C ATOM 1531 O ASP A 97 -4.113 11.621 1.045 1.00 11.23 O ATOM 1532 CB ASP A 97 -3.978 13.594 3.471 1.00 2.32 C ATOM 1533 CG ASP A 97 -2.584 13.146 3.974 1.00 35.01 C ATOM 1534 OD1 ASP A 97 -2.236 11.968 3.815 1.00 40.43 O ATOM 1535 OD2 ASP A 97 -1.856 13.962 4.569 1.00 23.35 O ATOM 0 H ASP A 97 -6.076 14.287 2.402 1.00 4.54 H new ATOM 0 HA ASP A 97 -3.469 14.746 1.697 1.00 15.14 H new ATOM 0 HB2 ASP A 97 -4.267 14.499 4.006 1.00 2.32 H new ATOM 0 HB3 ASP A 97 -4.705 12.825 3.731 1.00 2.32 H new ATOM 1540 N ASP A 98 -2.342 12.911 0.486 1.00 41.30 N ATOM 1541 CA ASP A 98 -1.664 11.876 -0.299 1.00 42.30 C ATOM 1542 C ASP A 98 -0.591 11.222 0.572 1.00 30.12 C ATOM 1543 O ASP A 98 0.430 11.848 0.877 1.00 10.14 O ATOM 1544 CB ASP A 98 -1.038 12.462 -1.579 1.00 23.34 C ATOM 1545 CG ASP A 98 -0.422 11.379 -2.487 1.00 50.24 C ATOM 1546 OD1 ASP A 98 0.735 10.963 -2.264 1.00 75.33 O ATOM 1547 OD2 ASP A 98 -1.090 10.947 -3.444 1.00 32.52 O ATOM 0 H ASP A 98 -1.853 13.806 0.502 1.00 41.30 H new ATOM 0 HA ASP A 98 -2.395 11.130 -0.610 1.00 42.30 H new ATOM 0 HB2 ASP A 98 -1.801 13.007 -2.135 1.00 23.34 H new ATOM 0 HB3 ASP A 98 -0.267 13.183 -1.305 1.00 23.34 H new ATOM 1552 N THR A 99 -0.850 9.985 0.979 1.00 21.32 N ATOM 1553 CA THR A 99 0.093 9.162 1.719 1.00 51.25 C ATOM 1554 C THR A 99 0.754 8.176 0.729 1.00 35.24 C ATOM 1555 O THR A 99 0.185 7.124 0.425 1.00 21.22 O ATOM 1556 CB THR A 99 -0.635 8.380 2.877 1.00 51.51 C ATOM 1557 OG1 THR A 99 -1.586 9.228 3.537 1.00 35.12 O ATOM 1558 CG2 THR A 99 0.360 7.866 3.920 1.00 12.13 C ATOM 0 H THR A 99 -1.739 9.519 0.799 1.00 21.32 H new ATOM 0 HA THR A 99 0.852 9.794 2.180 1.00 51.25 H new ATOM 0 HB THR A 99 -1.143 7.532 2.418 1.00 51.51 H new ATOM 0 HG1 THR A 99 -1.314 10.164 3.438 1.00 35.12 H new ATOM 0 HG21 THR A 99 -0.178 7.332 4.703 1.00 12.13 H new ATOM 0 HG22 THR A 99 1.071 7.191 3.443 1.00 12.13 H new ATOM 0 HG23 THR A 99 0.896 8.708 4.357 1.00 12.13 H new ATOM 1566 N GLU A 100 1.936 8.532 0.198 1.00 54.53 N ATOM 1567 CA GLU A 100 2.678 7.656 -0.728 1.00 24.44 C ATOM 1568 C GLU A 100 3.633 6.788 0.098 1.00 54.30 C ATOM 1569 O GLU A 100 4.185 7.249 1.099 1.00 24.00 O ATOM 1570 CB GLU A 100 3.461 8.463 -1.807 1.00 61.24 C ATOM 1571 CG GLU A 100 4.298 7.571 -2.774 1.00 10.35 C ATOM 1572 CD GLU A 100 5.118 8.351 -3.811 1.00 24.11 C ATOM 1573 OE1 GLU A 100 5.932 9.206 -3.404 1.00 72.25 O ATOM 1574 OE2 GLU A 100 4.970 8.106 -5.029 1.00 5.43 O ATOM 0 H GLU A 100 2.399 9.420 0.393 1.00 54.53 H new ATOM 0 HA GLU A 100 1.967 7.033 -1.270 1.00 24.44 H new ATOM 0 HB2 GLU A 100 2.754 9.052 -2.391 1.00 61.24 H new ATOM 0 HB3 GLU A 100 4.127 9.167 -1.309 1.00 61.24 H new ATOM 0 HG2 GLU A 100 4.975 6.954 -2.184 1.00 10.35 H new ATOM 0 HG3 GLU A 100 3.624 6.893 -3.298 1.00 10.35 H new ATOM 1581 N PHE A 101 3.780 5.523 -0.296 1.00 44.01 N ATOM 1582 CA PHE A 101 4.756 4.596 0.289 1.00 45.11 C ATOM 1583 C PHE A 101 5.629 4.042 -0.842 1.00 21.13 C ATOM 1584 O PHE A 101 5.107 3.519 -1.838 1.00 65.42 O ATOM 1585 CB PHE A 101 4.039 3.449 1.037 1.00 42.21 C ATOM 1586 CG PHE A 101 3.142 3.903 2.193 1.00 33.44 C ATOM 1587 CD1 PHE A 101 3.688 4.215 3.441 1.00 40.12 C ATOM 1588 CD2 PHE A 101 1.752 3.997 2.038 1.00 34.10 C ATOM 1589 CE1 PHE A 101 2.873 4.597 4.496 1.00 23.12 C ATOM 1590 CE2 PHE A 101 0.945 4.381 3.092 1.00 61.31 C ATOM 1591 CZ PHE A 101 1.505 4.676 4.321 1.00 15.10 C ATOM 0 H PHE A 101 3.219 5.106 -1.039 1.00 44.01 H new ATOM 0 HA PHE A 101 5.378 5.121 1.015 1.00 45.11 H new ATOM 0 HB2 PHE A 101 3.434 2.890 0.323 1.00 42.21 H new ATOM 0 HB3 PHE A 101 4.790 2.761 1.426 1.00 42.21 H new ATOM 0 HD1 PHE A 101 4.757 4.158 3.586 1.00 40.12 H new ATOM 0 HD2 PHE A 101 1.306 3.766 1.082 1.00 34.10 H new ATOM 0 HE1 PHE A 101 3.308 4.833 5.456 1.00 23.12 H new ATOM 0 HE2 PHE A 101 -0.124 4.451 2.955 1.00 61.31 H new ATOM 0 HZ PHE A 101 0.872 4.969 5.146 1.00 15.10 H new ATOM 1601 N GLN A 102 6.952 4.185 -0.696 1.00 54.05 N ATOM 1602 CA GLN A 102 7.931 3.733 -1.701 1.00 45.10 C ATOM 1603 C GLN A 102 8.829 2.636 -1.107 1.00 73.34 C ATOM 1604 O GLN A 102 9.082 2.623 0.104 1.00 2.11 O ATOM 1605 CB GLN A 102 8.789 4.930 -2.194 1.00 64.11 C ATOM 1606 CG GLN A 102 9.776 5.491 -1.154 1.00 1.11 C ATOM 1607 CD GLN A 102 10.623 6.642 -1.683 1.00 22.34 C ATOM 1608 OE1 GLN A 102 11.689 6.435 -2.268 1.00 51.33 O ATOM 1609 NE2 GLN A 102 10.183 7.858 -1.445 1.00 54.44 N ATOM 0 H GLN A 102 7.378 4.618 0.123 1.00 54.05 H new ATOM 0 HA GLN A 102 7.394 3.320 -2.555 1.00 45.10 H new ATOM 0 HB2 GLN A 102 9.350 4.618 -3.075 1.00 64.11 H new ATOM 0 HB3 GLN A 102 8.121 5.732 -2.509 1.00 64.11 H new ATOM 0 HG2 GLN A 102 9.218 5.831 -0.281 1.00 1.11 H new ATOM 0 HG3 GLN A 102 10.434 4.689 -0.819 1.00 1.11 H new ATOM 0 HE21 GLN A 102 9.297 7.994 -0.959 1.00 54.44 H new ATOM 0 HE22 GLN A 102 10.728 8.666 -1.747 1.00 54.44 H new ATOM 1618 N HIS A 103 9.290 1.721 -1.970 1.00 64.43 N ATOM 1619 CA HIS A 103 10.246 0.666 -1.597 1.00 1.31 C ATOM 1620 C HIS A 103 10.875 0.083 -2.881 1.00 4.34 C ATOM 1621 O HIS A 103 10.131 -0.311 -3.780 1.00 2.12 O ATOM 1622 CB HIS A 103 9.537 -0.445 -0.779 1.00 0.24 C ATOM 1623 CG HIS A 103 10.470 -1.383 -0.081 1.00 55.21 C ATOM 1624 ND1 HIS A 103 10.910 -2.559 -0.631 1.00 44.21 N ATOM 1625 CD2 HIS A 103 11.073 -1.286 1.123 1.00 40.20 C ATOM 1626 CE1 HIS A 103 11.740 -3.139 0.208 1.00 35.24 C ATOM 1627 NE2 HIS A 103 11.855 -2.391 1.276 1.00 0.34 N ATOM 0 H HIS A 103 9.010 1.690 -2.950 1.00 64.43 H new ATOM 0 HA HIS A 103 11.031 1.089 -0.971 1.00 1.31 H new ATOM 0 HB2 HIS A 103 8.889 0.023 -0.038 1.00 0.24 H new ATOM 0 HB3 HIS A 103 8.895 -1.019 -1.447 1.00 0.24 H new ATOM 0 HD2 HIS A 103 10.957 -0.481 1.834 1.00 40.20 H new ATOM 0 HE1 HIS A 103 12.245 -4.079 0.043 1.00 35.24 H new ATOM 0 HE2 HIS A 103 12.435 -2.601 2.089 1.00 0.34 H new ATOM 1636 N PRO A 104 12.247 0.008 -2.989 1.00 54.32 N ATOM 1637 CA PRO A 104 12.936 -0.431 -4.240 1.00 53.44 C ATOM 1638 C PRO A 104 12.600 -1.883 -4.647 1.00 62.42 C ATOM 1639 O PRO A 104 12.548 -2.192 -5.842 1.00 43.21 O ATOM 1640 CB PRO A 104 14.447 -0.263 -3.904 1.00 41.11 C ATOM 1641 CG PRO A 104 14.513 -0.304 -2.405 1.00 12.30 C ATOM 1642 CD PRO A 104 13.236 0.354 -1.926 1.00 42.13 C ATOM 0 HA PRO A 104 12.618 0.156 -5.101 1.00 53.44 H new ATOM 0 HB2 PRO A 104 15.042 -1.061 -4.348 1.00 41.11 H new ATOM 0 HB3 PRO A 104 14.836 0.679 -4.292 1.00 41.11 H new ATOM 0 HG2 PRO A 104 14.586 -1.330 -2.043 1.00 12.30 H new ATOM 0 HG3 PRO A 104 15.390 0.227 -2.036 1.00 12.30 H new ATOM 0 HD2 PRO A 104 12.929 -0.027 -0.952 1.00 42.13 H new ATOM 0 HD3 PRO A 104 13.354 1.433 -1.823 1.00 42.13 H new ATOM 1650 N CYS A 105 12.334 -2.751 -3.646 1.00 0.41 N ATOM 1651 CA CYS A 105 12.029 -4.185 -3.886 1.00 11.34 C ATOM 1652 C CYS A 105 10.519 -4.412 -4.105 1.00 73.21 C ATOM 1653 O CYS A 105 10.072 -5.552 -4.252 1.00 60.33 O ATOM 1654 CB CYS A 105 12.548 -5.048 -2.713 1.00 11.21 C ATOM 1655 SG CYS A 105 14.283 -4.754 -2.298 1.00 23.52 S ATOM 0 H CYS A 105 12.324 -2.486 -2.661 1.00 0.41 H new ATOM 0 HA CYS A 105 12.542 -4.490 -4.798 1.00 11.34 H new ATOM 0 HB2 CYS A 105 11.936 -4.852 -1.833 1.00 11.21 H new ATOM 0 HB3 CYS A 105 12.418 -6.101 -2.964 1.00 11.21 H new ATOM 0 HG CYS A 105 14.627 -5.519 -1.305 1.00 23.52 H new ATOM 1661 N PHE A 106 9.736 -3.316 -4.113 1.00 35.03 N ATOM 1662 CA PHE A 106 8.309 -3.352 -4.460 1.00 5.01 C ATOM 1663 C PHE A 106 8.181 -2.860 -5.910 1.00 41.20 C ATOM 1664 O PHE A 106 8.278 -1.661 -6.167 1.00 54.12 O ATOM 1665 CB PHE A 106 7.483 -2.454 -3.483 1.00 65.34 C ATOM 1666 CG PHE A 106 5.979 -2.400 -3.783 1.00 21.52 C ATOM 1667 CD1 PHE A 106 5.127 -3.412 -3.342 1.00 24.42 C ATOM 1668 CD2 PHE A 106 5.417 -1.347 -4.524 1.00 21.44 C ATOM 1669 CE1 PHE A 106 3.774 -3.382 -3.625 1.00 61.22 C ATOM 1670 CE2 PHE A 106 4.065 -1.321 -4.803 1.00 52.54 C ATOM 1671 CZ PHE A 106 3.246 -2.338 -4.354 1.00 62.33 C ATOM 0 H PHE A 106 10.078 -2.384 -3.879 1.00 35.03 H new ATOM 0 HA PHE A 106 7.913 -4.364 -4.369 1.00 5.01 H new ATOM 0 HB2 PHE A 106 7.624 -2.820 -2.466 1.00 65.34 H new ATOM 0 HB3 PHE A 106 7.883 -1.441 -3.515 1.00 65.34 H new ATOM 0 HD1 PHE A 106 5.531 -4.234 -2.769 1.00 24.42 H new ATOM 0 HD2 PHE A 106 6.050 -0.548 -4.880 1.00 21.44 H new ATOM 0 HE1 PHE A 106 3.131 -4.176 -3.275 1.00 61.22 H new ATOM 0 HE2 PHE A 106 3.648 -0.504 -5.373 1.00 52.54 H new ATOM 0 HZ PHE A 106 2.189 -2.315 -4.575 1.00 62.33 H new ATOM 1681 N LEU A 107 8.054 -3.798 -6.861 1.00 22.10 N ATOM 1682 CA LEU A 107 7.838 -3.481 -8.287 1.00 23.44 C ATOM 1683 C LEU A 107 6.507 -4.097 -8.750 1.00 1.13 C ATOM 1684 O LEU A 107 6.265 -5.290 -8.510 1.00 23.24 O ATOM 1685 CB LEU A 107 9.009 -4.053 -9.138 1.00 63.13 C ATOM 1686 CG LEU A 107 10.445 -3.550 -8.787 1.00 13.04 C ATOM 1687 CD1 LEU A 107 11.498 -4.233 -9.684 1.00 24.23 C ATOM 1688 CD2 LEU A 107 10.545 -2.009 -8.879 1.00 43.23 C ATOM 0 H LEU A 107 8.098 -4.798 -6.666 1.00 22.10 H new ATOM 0 HA LEU A 107 7.801 -2.399 -8.417 1.00 23.44 H new ATOM 0 HB2 LEU A 107 8.997 -5.139 -9.046 1.00 63.13 H new ATOM 0 HB3 LEU A 107 8.814 -3.820 -10.185 1.00 63.13 H new ATOM 0 HG LEU A 107 10.651 -3.826 -7.753 1.00 13.04 H new ATOM 0 HD11 LEU A 107 12.491 -3.868 -9.422 1.00 24.23 H new ATOM 0 HD12 LEU A 107 11.458 -5.312 -9.536 1.00 24.23 H new ATOM 0 HD13 LEU A 107 11.290 -4.002 -10.729 1.00 24.23 H new ATOM 0 HD21 LEU A 107 11.558 -1.695 -8.628 1.00 43.23 H new ATOM 0 HD22 LEU A 107 10.306 -1.689 -9.893 1.00 43.23 H new ATOM 0 HD23 LEU A 107 9.841 -1.556 -8.180 1.00 43.23 H new ATOM 1700 N ARG A 108 5.648 -3.284 -9.399 1.00 35.11 N ATOM 1701 CA ARG A 108 4.388 -3.755 -9.998 1.00 31.04 C ATOM 1702 C ARG A 108 4.746 -4.581 -11.251 1.00 45.23 C ATOM 1703 O ARG A 108 4.963 -4.037 -12.337 1.00 74.25 O ATOM 1704 CB ARG A 108 3.437 -2.542 -10.305 1.00 23.35 C ATOM 1705 CG ARG A 108 1.967 -2.893 -10.721 1.00 23.34 C ATOM 1706 CD ARG A 108 1.817 -3.330 -12.194 1.00 61.02 C ATOM 1707 NE ARG A 108 0.449 -3.717 -12.556 1.00 24.24 N ATOM 1708 CZ ARG A 108 0.091 -4.228 -13.748 1.00 51.42 C ATOM 1709 NH1 ARG A 108 0.971 -4.413 -14.730 1.00 63.24 N ATOM 1710 NH2 ARG A 108 -1.171 -4.561 -13.946 1.00 50.23 N ATOM 0 H ARG A 108 5.811 -2.284 -9.521 1.00 35.11 H new ATOM 0 HA ARG A 108 3.834 -4.393 -9.309 1.00 31.04 H new ATOM 0 HB2 ARG A 108 3.399 -1.906 -9.420 1.00 23.35 H new ATOM 0 HB3 ARG A 108 3.885 -1.951 -11.103 1.00 23.35 H new ATOM 0 HG2 ARG A 108 1.599 -3.692 -10.077 1.00 23.34 H new ATOM 0 HG3 ARG A 108 1.333 -2.024 -10.545 1.00 23.34 H new ATOM 0 HD2 ARG A 108 2.138 -2.513 -12.841 1.00 61.02 H new ATOM 0 HD3 ARG A 108 2.486 -4.169 -12.385 1.00 61.02 H new ATOM 0 HE ARG A 108 -0.281 -3.590 -11.855 1.00 24.24 H new ATOM 0 HH11 ARG A 108 1.950 -4.165 -14.591 1.00 63.24 H new ATOM 0 HH12 ARG A 108 0.666 -4.803 -15.622 1.00 63.24 H new ATOM 0 HH21 ARG A 108 -1.856 -4.429 -13.202 1.00 50.23 H new ATOM 0 HH22 ARG A 108 -1.461 -4.950 -14.843 1.00 50.23 H new ATOM 1724 N GLY A 109 4.865 -5.890 -11.049 1.00 15.22 N ATOM 1725 CA GLY A 109 5.322 -6.827 -12.067 1.00 42.25 C ATOM 1726 C GLY A 109 6.124 -7.928 -11.406 1.00 52.21 C ATOM 1727 O GLY A 109 5.800 -9.114 -11.524 1.00 22.01 O ATOM 0 H GLY A 109 4.643 -6.335 -10.159 1.00 15.22 H new ATOM 0 HA2 GLY A 109 4.469 -7.250 -12.598 1.00 42.25 H new ATOM 0 HA3 GLY A 109 5.933 -6.310 -12.807 1.00 42.25 H new ATOM 1731 N GLN A 110 7.164 -7.506 -10.662 1.00 65.25 N ATOM 1732 CA GLN A 110 8.024 -8.409 -9.875 1.00 55.24 C ATOM 1733 C GLN A 110 7.432 -8.610 -8.457 1.00 64.43 C ATOM 1734 O GLN A 110 7.889 -7.998 -7.482 1.00 72.12 O ATOM 1735 CB GLN A 110 9.486 -7.857 -9.809 1.00 4.44 C ATOM 1736 CG GLN A 110 10.365 -8.073 -11.064 1.00 71.02 C ATOM 1737 CD GLN A 110 9.790 -7.462 -12.342 1.00 42.12 C ATOM 1738 OE1 GLN A 110 9.053 -8.114 -13.088 1.00 2.11 O ATOM 1739 NE2 GLN A 110 10.114 -6.206 -12.607 1.00 60.24 N ATOM 0 H GLN A 110 7.432 -6.525 -10.590 1.00 65.25 H new ATOM 0 HA GLN A 110 8.059 -9.381 -10.368 1.00 55.24 H new ATOM 0 HB2 GLN A 110 9.437 -6.787 -9.607 1.00 4.44 H new ATOM 0 HB3 GLN A 110 9.987 -8.319 -8.958 1.00 4.44 H new ATOM 0 HG2 GLN A 110 11.351 -7.646 -10.882 1.00 71.02 H new ATOM 0 HG3 GLN A 110 10.505 -9.143 -11.217 1.00 71.02 H new ATOM 0 HE21 GLN A 110 10.725 -5.692 -11.972 1.00 60.24 H new ATOM 0 HE22 GLN A 110 9.753 -5.752 -13.446 1.00 60.24 H new ATOM 1748 N GLU A 111 6.371 -9.433 -8.375 1.00 2.33 N ATOM 1749 CA GLU A 111 5.740 -9.819 -7.091 1.00 13.23 C ATOM 1750 C GLU A 111 6.593 -10.843 -6.311 1.00 23.31 C ATOM 1751 O GLU A 111 6.388 -11.041 -5.105 1.00 43.23 O ATOM 1752 CB GLU A 111 4.272 -10.319 -7.321 1.00 35.44 C ATOM 1753 CG GLU A 111 4.035 -11.282 -8.515 1.00 34.15 C ATOM 1754 CD GLU A 111 4.671 -12.675 -8.352 1.00 3.34 C ATOM 1755 OE1 GLU A 111 4.079 -13.531 -7.650 1.00 31.22 O ATOM 1756 OE2 GLU A 111 5.762 -12.918 -8.922 1.00 3.41 O ATOM 0 H GLU A 111 5.925 -9.850 -9.192 1.00 2.33 H new ATOM 0 HA GLU A 111 5.688 -8.929 -6.464 1.00 13.23 H new ATOM 0 HB2 GLU A 111 3.938 -10.818 -6.412 1.00 35.44 H new ATOM 0 HB3 GLU A 111 3.634 -9.446 -7.458 1.00 35.44 H new ATOM 0 HG2 GLU A 111 2.961 -11.402 -8.660 1.00 34.15 H new ATOM 0 HG3 GLU A 111 4.429 -10.821 -9.420 1.00 34.15 H new ATOM 1763 N GLN A 112 7.539 -11.502 -7.006 1.00 63.23 N ATOM 1764 CA GLN A 112 8.476 -12.437 -6.361 1.00 4.22 C ATOM 1765 C GLN A 112 9.483 -11.694 -5.454 1.00 72.41 C ATOM 1766 O GLN A 112 10.039 -12.292 -4.532 1.00 53.13 O ATOM 1767 CB GLN A 112 9.237 -13.327 -7.390 1.00 72.51 C ATOM 1768 CG GLN A 112 10.355 -12.643 -8.225 1.00 14.23 C ATOM 1769 CD GLN A 112 9.887 -11.956 -9.511 1.00 63.41 C ATOM 1770 OE1 GLN A 112 8.750 -11.501 -9.624 1.00 10.44 O ATOM 1771 NE2 GLN A 112 10.774 -11.873 -10.495 1.00 10.43 N ATOM 0 H GLN A 112 7.673 -11.404 -8.012 1.00 63.23 H new ATOM 0 HA GLN A 112 7.867 -13.096 -5.742 1.00 4.22 H new ATOM 0 HB2 GLN A 112 9.681 -14.164 -6.851 1.00 72.51 H new ATOM 0 HB3 GLN A 112 8.506 -13.746 -8.082 1.00 72.51 H new ATOM 0 HG2 GLN A 112 10.852 -11.903 -7.598 1.00 14.23 H new ATOM 0 HG3 GLN A 112 11.102 -13.393 -8.485 1.00 14.23 H new ATOM 0 HE21 GLN A 112 11.710 -12.260 -10.372 1.00 10.43 H new ATOM 0 HE22 GLN A 112 10.520 -11.422 -11.374 1.00 10.43 H new ATOM 1780 N LEU A 113 9.689 -10.379 -5.702 1.00 73.22 N ATOM 1781 CA LEU A 113 10.671 -9.564 -4.947 1.00 41.42 C ATOM 1782 C LEU A 113 10.119 -9.109 -3.577 1.00 41.03 C ATOM 1783 O LEU A 113 10.860 -8.536 -2.768 1.00 41.41 O ATOM 1784 CB LEU A 113 11.148 -8.343 -5.791 1.00 63.02 C ATOM 1785 CG LEU A 113 12.025 -8.667 -7.049 1.00 22.25 C ATOM 1786 CD1 LEU A 113 12.472 -7.370 -7.764 1.00 5.21 C ATOM 1787 CD2 LEU A 113 13.242 -9.540 -6.669 1.00 63.12 C ATOM 0 H LEU A 113 9.187 -9.858 -6.421 1.00 73.22 H new ATOM 0 HA LEU A 113 11.533 -10.202 -4.749 1.00 41.42 H new ATOM 0 HB2 LEU A 113 10.268 -7.791 -6.121 1.00 63.02 H new ATOM 0 HB3 LEU A 113 11.716 -7.678 -5.140 1.00 63.02 H new ATOM 0 HG LEU A 113 11.411 -9.237 -7.746 1.00 22.25 H new ATOM 0 HD11 LEU A 113 13.079 -7.624 -8.633 1.00 5.21 H new ATOM 0 HD12 LEU A 113 11.594 -6.811 -8.086 1.00 5.21 H new ATOM 0 HD13 LEU A 113 13.059 -6.760 -7.077 1.00 5.21 H new ATOM 0 HD21 LEU A 113 13.832 -9.749 -7.561 1.00 63.12 H new ATOM 0 HD22 LEU A 113 13.858 -9.010 -5.943 1.00 63.12 H new ATOM 0 HD23 LEU A 113 12.896 -10.478 -6.235 1.00 63.12 H new ATOM 1799 N LEU A 114 8.829 -9.393 -3.317 1.00 55.24 N ATOM 1800 CA LEU A 114 8.166 -9.054 -2.040 1.00 3.05 C ATOM 1801 C LEU A 114 8.691 -9.919 -0.868 1.00 70.22 C ATOM 1802 O LEU A 114 8.596 -9.510 0.291 1.00 52.04 O ATOM 1803 CB LEU A 114 6.630 -9.201 -2.182 1.00 60.12 C ATOM 1804 CG LEU A 114 5.959 -8.365 -3.315 1.00 71.20 C ATOM 1805 CD1 LEU A 114 4.466 -8.721 -3.447 1.00 64.22 C ATOM 1806 CD2 LEU A 114 6.161 -6.850 -3.099 1.00 60.33 C ATOM 0 H LEU A 114 8.217 -9.863 -3.984 1.00 55.24 H new ATOM 0 HA LEU A 114 8.405 -8.017 -1.807 1.00 3.05 H new ATOM 0 HB2 LEU A 114 6.401 -10.253 -2.351 1.00 60.12 H new ATOM 0 HB3 LEU A 114 6.170 -8.923 -1.233 1.00 60.12 H new ATOM 0 HG LEU A 114 6.450 -8.623 -4.254 1.00 71.20 H new ATOM 0 HD11 LEU A 114 4.019 -8.126 -4.243 1.00 64.22 H new ATOM 0 HD12 LEU A 114 4.364 -9.780 -3.685 1.00 64.22 H new ATOM 0 HD13 LEU A 114 3.957 -8.510 -2.507 1.00 64.22 H new ATOM 0 HD21 LEU A 114 5.680 -6.300 -3.908 1.00 60.33 H new ATOM 0 HD22 LEU A 114 5.719 -6.556 -2.147 1.00 60.33 H new ATOM 0 HD23 LEU A 114 7.227 -6.623 -3.089 1.00 60.33 H new ATOM 1818 N GLU A 115 9.254 -11.112 -1.170 1.00 12.42 N ATOM 1819 CA GLU A 115 9.859 -11.985 -0.128 1.00 32.22 C ATOM 1820 C GLU A 115 11.288 -11.547 0.247 1.00 3.25 C ATOM 1821 O GLU A 115 11.908 -12.140 1.141 1.00 24.24 O ATOM 1822 CB GLU A 115 9.845 -13.473 -0.538 1.00 12.44 C ATOM 1823 CG GLU A 115 10.613 -13.839 -1.819 1.00 2.02 C ATOM 1824 CD GLU A 115 10.760 -15.361 -2.003 1.00 54.40 C ATOM 1825 OE1 GLU A 115 9.755 -16.037 -2.323 1.00 44.32 O ATOM 1826 OE2 GLU A 115 11.873 -15.899 -1.817 1.00 72.12 O ATOM 0 H GLU A 115 9.304 -11.492 -2.115 1.00 12.42 H new ATOM 0 HA GLU A 115 9.233 -11.871 0.757 1.00 32.22 H new ATOM 0 HB2 GLU A 115 10.256 -14.058 0.285 1.00 12.44 H new ATOM 0 HB3 GLU A 115 8.807 -13.783 -0.662 1.00 12.44 H new ATOM 0 HG2 GLU A 115 10.095 -13.420 -2.682 1.00 2.02 H new ATOM 0 HG3 GLU A 115 11.602 -13.383 -1.789 1.00 2.02 H new ATOM 1833 N ASN A 116 11.799 -10.503 -0.421 1.00 32.53 N ATOM 1834 CA ASN A 116 13.069 -9.842 -0.040 1.00 1.32 C ATOM 1835 C ASN A 116 12.766 -8.703 0.945 1.00 75.22 C ATOM 1836 O ASN A 116 13.668 -8.167 1.596 1.00 52.22 O ATOM 1837 CB ASN A 116 13.797 -9.284 -1.287 1.00 75.34 C ATOM 1838 CG ASN A 116 14.168 -10.375 -2.290 1.00 5.35 C ATOM 1839 OD1 ASN A 116 15.270 -10.918 -2.271 1.00 12.12 O ATOM 1840 ND2 ASN A 116 13.234 -10.728 -3.149 1.00 44.25 N ATOM 0 H ASN A 116 11.351 -10.089 -1.238 1.00 32.53 H new ATOM 0 HA ASN A 116 13.723 -10.576 0.432 1.00 1.32 H new ATOM 0 HB2 ASN A 116 13.159 -8.548 -1.776 1.00 75.34 H new ATOM 0 HB3 ASN A 116 14.701 -8.763 -0.972 1.00 75.34 H new ATOM 0 HD21 ASN A 116 13.416 -11.471 -3.823 1.00 44.25 H new ATOM 0 HD22 ASN A 116 12.329 -10.258 -3.140 1.00 44.25 H new ATOM 1847 N ILE A 117 11.469 -8.356 1.047 1.00 30.23 N ATOM 1848 CA ILE A 117 10.965 -7.315 1.945 1.00 0.23 C ATOM 1849 C ILE A 117 10.543 -7.993 3.261 1.00 22.10 C ATOM 1850 O ILE A 117 9.692 -8.893 3.241 1.00 63.24 O ATOM 1851 CB ILE A 117 9.721 -6.564 1.322 1.00 44.53 C ATOM 1852 CG1 ILE A 117 9.989 -6.164 -0.164 1.00 72.12 C ATOM 1853 CG2 ILE A 117 9.344 -5.327 2.173 1.00 41.35 C ATOM 1854 CD1 ILE A 117 8.840 -5.440 -0.852 1.00 51.31 C ATOM 0 H ILE A 117 10.735 -8.802 0.496 1.00 30.23 H new ATOM 0 HA ILE A 117 11.748 -6.576 2.112 1.00 0.23 H new ATOM 0 HB ILE A 117 8.875 -7.251 1.331 1.00 44.53 H new ATOM 0 HG12 ILE A 117 10.873 -5.527 -0.199 1.00 72.12 H new ATOM 0 HG13 ILE A 117 10.222 -7.065 -0.731 1.00 72.12 H new ATOM 0 HG21 ILE A 117 8.486 -4.826 1.726 1.00 41.35 H new ATOM 0 HG22 ILE A 117 9.092 -5.645 3.185 1.00 41.35 H new ATOM 0 HG23 ILE A 117 10.188 -4.639 2.208 1.00 41.35 H new ATOM 0 HD11 ILE A 117 9.121 -5.204 -1.878 1.00 51.31 H new ATOM 0 HD12 ILE A 117 7.957 -6.079 -0.855 1.00 51.31 H new ATOM 0 HD13 ILE A 117 8.618 -4.517 -0.316 1.00 51.31 H new ATOM 1866 N LYS A 118 11.140 -7.584 4.391 1.00 32.32 N ATOM 1867 CA LYS A 118 10.830 -8.166 5.714 1.00 73.44 C ATOM 1868 C LYS A 118 10.630 -7.068 6.766 1.00 54.24 C ATOM 1869 O LYS A 118 10.925 -5.893 6.525 1.00 2.41 O ATOM 1870 CB LYS A 118 11.877 -9.262 6.136 1.00 33.52 C ATOM 1871 CG LYS A 118 13.370 -9.041 5.749 1.00 72.34 C ATOM 1872 CD LYS A 118 14.139 -7.992 6.609 1.00 50.44 C ATOM 1873 CE LYS A 118 14.059 -6.568 6.056 1.00 75.40 C ATOM 1874 NZ LYS A 118 14.869 -5.607 6.851 1.00 70.42 N ATOM 0 H LYS A 118 11.845 -6.848 4.418 1.00 32.32 H new ATOM 0 HA LYS A 118 9.879 -8.693 5.638 1.00 73.44 H new ATOM 0 HB2 LYS A 118 11.826 -9.371 7.219 1.00 33.52 H new ATOM 0 HB3 LYS A 118 11.558 -10.211 5.705 1.00 33.52 H new ATOM 0 HG2 LYS A 118 13.891 -9.996 5.821 1.00 72.34 H new ATOM 0 HG3 LYS A 118 13.414 -8.732 4.705 1.00 72.34 H new ATOM 0 HD2 LYS A 118 13.738 -8.002 7.623 1.00 50.44 H new ATOM 0 HD3 LYS A 118 15.186 -8.288 6.677 1.00 50.44 H new ATOM 0 HE2 LYS A 118 14.404 -6.562 5.022 1.00 75.40 H new ATOM 0 HE3 LYS A 118 13.019 -6.242 6.047 1.00 75.40 H new ATOM 0 HZ1 LYS A 118 14.783 -4.656 6.438 1.00 70.42 H new ATOM 0 HZ2 LYS A 118 14.524 -5.591 7.832 1.00 70.42 H new ATOM 0 HZ3 LYS A 118 15.867 -5.901 6.839 1.00 70.42 H new ATOM 1888 N ARG A 119 10.117 -7.473 7.927 1.00 14.23 N ATOM 1889 CA ARG A 119 9.702 -6.564 9.003 1.00 33.45 C ATOM 1890 C ARG A 119 10.243 -7.073 10.347 1.00 62.53 C ATOM 1891 O ARG A 119 10.812 -6.316 11.141 1.00 30.32 O ATOM 1892 CB ARG A 119 8.138 -6.465 9.040 1.00 72.11 C ATOM 1893 CG ARG A 119 7.425 -7.832 9.123 1.00 31.12 C ATOM 1894 CD ARG A 119 5.933 -7.763 9.456 1.00 62.04 C ATOM 1895 NE ARG A 119 5.401 -9.118 9.663 1.00 42.00 N ATOM 1896 CZ ARG A 119 4.182 -9.411 10.118 1.00 21.34 C ATOM 1897 NH1 ARG A 119 3.311 -8.462 10.432 1.00 1.52 N ATOM 1898 NH2 ARG A 119 3.862 -10.674 10.308 1.00 60.43 N ATOM 0 H ARG A 119 9.974 -8.457 8.153 1.00 14.23 H new ATOM 0 HA ARG A 119 10.108 -5.570 8.817 1.00 33.45 H new ATOM 0 HB2 ARG A 119 7.842 -5.860 9.897 1.00 72.11 H new ATOM 0 HB3 ARG A 119 7.796 -5.942 8.147 1.00 72.11 H new ATOM 0 HG2 ARG A 119 7.546 -8.347 8.170 1.00 31.12 H new ATOM 0 HG3 ARG A 119 7.923 -8.440 9.879 1.00 31.12 H new ATOM 0 HD2 ARG A 119 5.779 -7.162 10.352 1.00 62.04 H new ATOM 0 HD3 ARG A 119 5.394 -7.271 8.646 1.00 62.04 H new ATOM 0 HE ARG A 119 6.016 -9.900 9.440 1.00 42.00 H new ATOM 0 HH11 ARG A 119 3.567 -7.480 10.328 1.00 1.52 H new ATOM 0 HH12 ARG A 119 2.385 -8.714 10.778 1.00 1.52 H new ATOM 0 HH21 ARG A 119 4.541 -11.408 10.108 1.00 60.43 H new ATOM 0 HH22 ARG A 119 2.935 -10.918 10.655 1.00 60.43 H new