USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 69 THR OG1 : rot 180:sc=-0.00822 USER MOD Set 1.2: A 72 MET CE :methyl 152:sc= -0.162 (180deg=-1.68) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 50 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.31) USER MOD Single : A 54 ASN : amide:sc= 0.914 K(o=0.91,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.564 K(o=0.56,f=0) USER MOD Single : A 61 SER OG : rot -25:sc= 0.931 USER MOD Single : A 62 MET CE :methyl -170:sc= -0.0466 (180deg=-0.29) USER MOD Single : A 64 LYS NZ :NH3+ -160:sc= 0.333 (180deg=-0.506) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0433) USER MOD Single : A 66 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.0277 USER MOD Single : A 74 THR OG1 : rot -69:sc= 0.545 USER MOD Single : A 77 GLN : amide:sc= 0.303 K(o=0.3,f=-1.1) USER MOD Single : A 80 TYR OH : rot 106:sc= 0.369 USER MOD Single : A 82 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.38) USER MOD Single : A 84 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.7!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= 0.00061 X(o=0.00061,f=-0.24) USER MOD Single : A 89 ASN : amide:sc= 0.555 K(o=0.55,f=-0.013) USER MOD Single : A 90 ASN : amide:sc= 0.599 K(o=0.6,f=-0.41) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 279 N VAL A 21 -11.217 8.122 4.252 1.00 15.31 N ATOM 280 CA VAL A 21 -11.181 6.754 4.728 1.00 75.23 C ATOM 281 C VAL A 21 -9.975 6.031 4.139 1.00 2.32 C ATOM 282 O VAL A 21 -9.583 6.288 3.002 1.00 12.41 O ATOM 283 CB VAL A 21 -12.548 6.134 4.400 1.00 21.40 C ATOM 284 CG1 VAL A 21 -12.832 6.001 2.896 1.00 22.21 C ATOM 285 CG2 VAL A 21 -12.765 4.797 5.098 1.00 63.44 C ATOM 0 HA VAL A 21 -11.038 6.677 5.806 1.00 75.23 H new ATOM 0 HB VAL A 21 -13.268 6.851 4.794 1.00 21.40 H new ATOM 0 HG11 VAL A 21 -13.816 5.555 2.750 1.00 22.21 H new ATOM 0 HG12 VAL A 21 -12.808 6.987 2.433 1.00 22.21 H new ATOM 0 HG13 VAL A 21 -12.074 5.366 2.437 1.00 22.21 H new ATOM 0 HG21 VAL A 21 -13.746 4.403 4.832 1.00 63.44 H new ATOM 0 HG22 VAL A 21 -11.994 4.093 4.784 1.00 63.44 H new ATOM 0 HG23 VAL A 21 -12.711 4.937 6.178 1.00 63.44 H new ATOM 295 N LEU A 22 -9.375 5.120 4.904 1.00 74.25 N ATOM 296 CA LEU A 22 -8.298 4.267 4.404 1.00 23.32 C ATOM 297 C LEU A 22 -8.862 3.204 3.442 1.00 32.44 C ATOM 298 O LEU A 22 -10.042 2.853 3.559 1.00 12.23 O ATOM 299 CB LEU A 22 -7.593 3.591 5.594 1.00 75.42 C ATOM 300 CG LEU A 22 -6.632 4.535 6.339 1.00 24.04 C ATOM 301 CD1 LEU A 22 -6.249 3.952 7.699 1.00 43.42 C ATOM 302 CD2 LEU A 22 -5.356 4.772 5.524 1.00 74.42 C ATOM 0 H LEU A 22 -9.619 4.953 5.880 1.00 74.25 H new ATOM 0 HA LEU A 22 -7.578 4.876 3.857 1.00 23.32 H new ATOM 0 HB2 LEU A 22 -8.344 3.221 6.292 1.00 75.42 H new ATOM 0 HB3 LEU A 22 -7.037 2.725 5.236 1.00 75.42 H new ATOM 0 HG LEU A 22 -7.150 5.483 6.481 1.00 24.04 H new ATOM 0 HD11 LEU A 22 -5.569 4.635 8.209 1.00 43.42 H new ATOM 0 HD12 LEU A 22 -7.147 3.815 8.302 1.00 43.42 H new ATOM 0 HD13 LEU A 22 -5.757 2.990 7.557 1.00 43.42 H new ATOM 0 HD21 LEU A 22 -4.694 5.442 6.072 1.00 74.42 H new ATOM 0 HD22 LEU A 22 -4.851 3.821 5.354 1.00 74.42 H new ATOM 0 HD23 LEU A 22 -5.615 5.222 4.565 1.00 74.42 H new ATOM 313 N PRO A 23 -8.053 2.665 2.517 1.00 51.13 N ATOM 314 CA PRO A 23 -8.373 1.455 1.752 1.00 51.34 C ATOM 315 C PRO A 23 -8.474 0.202 2.655 1.00 3.22 C ATOM 316 O PRO A 23 -8.154 0.281 3.848 1.00 64.25 O ATOM 317 CB PRO A 23 -7.266 1.346 0.692 1.00 22.10 C ATOM 318 CG PRO A 23 -6.110 2.163 1.248 1.00 55.54 C ATOM 319 CD PRO A 23 -6.764 3.211 2.128 1.00 23.44 C ATOM 0 HA PRO A 23 -9.356 1.518 1.285 1.00 51.34 H new ATOM 0 HB2 PRO A 23 -6.975 0.308 0.530 1.00 22.10 H new ATOM 0 HB3 PRO A 23 -7.600 1.737 -0.269 1.00 22.10 H new ATOM 0 HG2 PRO A 23 -5.424 1.539 1.820 1.00 55.54 H new ATOM 0 HG3 PRO A 23 -5.531 2.624 0.448 1.00 55.54 H new ATOM 0 HD2 PRO A 23 -6.150 3.422 3.004 1.00 23.44 H new ATOM 0 HD3 PRO A 23 -6.886 4.151 1.590 1.00 23.44 H new ATOM 324 N PRO A 24 -8.948 -0.942 2.118 1.00 51.42 N ATOM 325 CA PRO A 24 -9.068 -2.209 2.846 1.00 32.42 C ATOM 326 C PRO A 24 -7.702 -2.857 3.129 1.00 71.44 C ATOM 327 O PRO A 24 -6.668 -2.340 2.724 1.00 35.00 O ATOM 328 CB PRO A 24 -9.968 -3.086 1.961 1.00 64.34 C ATOM 329 CG PRO A 24 -9.691 -2.577 0.551 1.00 52.15 C ATOM 330 CD PRO A 24 -9.481 -1.084 0.767 1.00 2.31 C ATOM 0 HA PRO A 24 -9.497 -2.066 3.838 1.00 32.42 H new ATOM 0 HB2 PRO A 24 -9.721 -4.143 2.061 1.00 64.34 H new ATOM 0 HB3 PRO A 24 -11.020 -2.978 2.227 1.00 64.34 H new ATOM 0 HG2 PRO A 24 -8.811 -3.050 0.116 1.00 52.15 H new ATOM 0 HG3 PRO A 24 -10.525 -2.775 -0.122 1.00 52.15 H new ATOM 0 HD2 PRO A 24 -8.789 -0.677 0.030 1.00 2.31 H new ATOM 0 HD3 PRO A 24 -10.419 -0.539 0.659 1.00 2.31 H new ATOM 335 N THR A 25 -7.679 -4.013 3.798 1.00 13.43 N ATOM 336 CA THR A 25 -6.459 -4.780 4.057 1.00 23.42 C ATOM 337 C THR A 25 -6.787 -6.281 3.975 1.00 4.53 C ATOM 338 O THR A 25 -7.967 -6.640 4.050 1.00 61.03 O ATOM 339 CB THR A 25 -5.821 -4.391 5.417 1.00 32.34 C ATOM 340 OG1 THR A 25 -6.665 -3.621 6.259 1.00 12.52 O ATOM 341 CG2 THR A 25 -4.518 -3.614 5.209 1.00 0.12 C ATOM 0 H THR A 25 -8.519 -4.448 4.180 1.00 13.43 H new ATOM 0 HA THR A 25 -5.713 -4.544 3.298 1.00 23.42 H new ATOM 0 HB THR A 25 -5.637 -5.342 5.916 1.00 32.34 H new ATOM 0 HG1 THR A 25 -6.195 -3.417 7.095 1.00 12.52 H new ATOM 0 HG21 THR A 25 -4.091 -3.353 6.178 1.00 0.12 H new ATOM 0 HG22 THR A 25 -3.811 -4.231 4.655 1.00 0.12 H new ATOM 0 HG23 THR A 25 -4.723 -2.703 4.646 1.00 0.12 H new ATOM 349 N PRO A 26 -5.784 -7.166 3.810 1.00 41.12 N ATOM 350 CA PRO A 26 -6.031 -8.599 3.735 1.00 2.20 C ATOM 351 C PRO A 26 -6.463 -9.175 5.087 1.00 24.31 C ATOM 352 O PRO A 26 -5.964 -8.744 6.130 1.00 21.01 O ATOM 353 CB PRO A 26 -4.719 -9.225 3.249 1.00 52.54 C ATOM 354 CG PRO A 26 -3.640 -8.143 3.345 1.00 41.21 C ATOM 355 CD PRO A 26 -4.359 -6.862 3.753 1.00 63.23 C ATOM 0 HA PRO A 26 -6.852 -8.820 3.053 1.00 2.20 H new ATOM 0 HB2 PRO A 26 -4.454 -10.088 3.860 1.00 52.54 H new ATOM 0 HB3 PRO A 26 -4.818 -9.580 2.223 1.00 52.54 H new ATOM 0 HG2 PRO A 26 -2.881 -8.414 4.079 1.00 41.21 H new ATOM 0 HG3 PRO A 26 -3.130 -8.016 2.390 1.00 41.21 H new ATOM 0 HD2 PRO A 26 -4.001 -6.512 4.721 1.00 63.23 H new ATOM 0 HD3 PRO A 26 -4.164 -6.066 3.034 1.00 63.23 H new ATOM 360 N LYS A 27 -7.297 -10.228 5.080 1.00 12.44 N ATOM 361 CA LYS A 27 -7.704 -10.970 6.281 1.00 32.31 C ATOM 362 C LYS A 27 -6.586 -11.862 6.815 1.00 31.21 C ATOM 363 O LYS A 27 -6.752 -13.073 6.990 1.00 43.12 O ATOM 364 CB LYS A 27 -9.026 -11.732 6.102 1.00 75.12 C ATOM 365 CG LYS A 27 -8.975 -12.803 5.003 1.00 63.12 C ATOM 366 CD LYS A 27 -9.988 -13.938 5.250 1.00 34.42 C ATOM 367 CE LYS A 27 -9.289 -15.173 5.851 1.00 32.33 C ATOM 368 NZ LYS A 27 -10.240 -16.151 6.429 1.00 73.42 N ATOM 0 H LYS A 27 -7.714 -10.593 4.223 1.00 12.44 H new ATOM 0 HA LYS A 27 -7.899 -10.218 7.045 1.00 32.31 H new ATOM 0 HB2 LYS A 27 -9.293 -12.205 7.047 1.00 75.12 H new ATOM 0 HB3 LYS A 27 -9.817 -11.020 5.867 1.00 75.12 H new ATOM 0 HG2 LYS A 27 -9.178 -12.340 4.037 1.00 63.12 H new ATOM 0 HG3 LYS A 27 -7.969 -13.220 4.951 1.00 63.12 H new ATOM 0 HD2 LYS A 27 -10.771 -13.593 5.926 1.00 34.42 H new ATOM 0 HD3 LYS A 27 -10.473 -14.209 4.312 1.00 34.42 H new ATOM 0 HE2 LYS A 27 -8.699 -15.663 5.076 1.00 32.33 H new ATOM 0 HE3 LYS A 27 -8.593 -14.849 6.625 1.00 32.33 H new ATOM 0 HZ1 LYS A 27 -9.713 -16.959 6.818 1.00 73.42 H new ATOM 0 HZ2 LYS A 27 -10.787 -15.697 7.188 1.00 73.42 H new ATOM 0 HZ3 LYS A 27 -10.888 -16.485 5.687 1.00 73.42 H new ATOM 378 N ASN A 28 -5.433 -11.263 7.083 1.00 60.14 N ATOM 379 CA ASN A 28 -4.324 -11.904 7.734 1.00 31.43 C ATOM 380 C ASN A 28 -3.883 -10.994 8.875 1.00 43.53 C ATOM 381 O ASN A 28 -3.641 -11.486 9.972 1.00 0.41 O ATOM 382 CB ASN A 28 -3.191 -12.208 6.737 1.00 14.24 C ATOM 383 CG ASN A 28 -3.506 -13.461 5.932 1.00 31.02 C ATOM 384 OD1 ASN A 28 -2.997 -14.541 6.229 1.00 44.52 O ATOM 385 ND2 ASN A 28 -4.394 -13.366 4.952 1.00 24.14 N ATOM 0 H ASN A 28 -5.250 -10.289 6.842 1.00 60.14 H new ATOM 0 HA ASN A 28 -4.615 -12.874 8.138 1.00 31.43 H new ATOM 0 HB2 ASN A 28 -3.055 -11.362 6.064 1.00 14.24 H new ATOM 0 HB3 ASN A 28 -2.252 -12.341 7.275 1.00 14.24 H new ATOM 0 HD21 ASN A 28 -4.667 -14.198 4.429 1.00 24.14 H new ATOM 0 HD22 ASN A 28 -4.804 -12.461 4.722 1.00 24.14 H new ATOM 391 N ILE A 29 -3.809 -9.673 8.650 1.00 60.12 N ATOM 392 CA ILE A 29 -3.209 -8.718 9.573 1.00 31.01 C ATOM 393 C ILE A 29 -3.844 -7.316 9.416 1.00 52.44 C ATOM 394 O ILE A 29 -4.495 -7.059 8.401 1.00 31.10 O ATOM 395 CB ILE A 29 -1.691 -8.636 9.303 1.00 35.11 C ATOM 396 CG1 ILE A 29 -1.314 -7.888 8.026 1.00 62.12 C ATOM 397 CG2 ILE A 29 -0.914 -9.955 9.380 1.00 32.32 C ATOM 398 CD1 ILE A 29 -1.834 -8.408 6.702 1.00 14.22 C ATOM 0 H ILE A 29 -4.174 -9.238 7.803 1.00 60.12 H new ATOM 0 HA ILE A 29 -3.389 -9.059 10.593 1.00 31.01 H new ATOM 0 HB ILE A 29 -1.370 -8.042 10.159 1.00 35.11 H new ATOM 0 HG12 ILE A 29 -1.653 -6.858 8.133 1.00 62.12 H new ATOM 0 HG13 ILE A 29 -0.226 -7.861 7.967 1.00 62.12 H new ATOM 0 HG21 ILE A 29 0.140 -9.769 9.172 1.00 32.32 H new ATOM 0 HG22 ILE A 29 -1.017 -10.380 10.378 1.00 32.32 H new ATOM 0 HG23 ILE A 29 -1.311 -10.655 8.644 1.00 32.32 H new ATOM 0 HD11 ILE A 29 -1.478 -7.768 5.895 1.00 14.22 H new ATOM 0 HD12 ILE A 29 -1.475 -9.425 6.544 1.00 14.22 H new ATOM 0 HD13 ILE A 29 -2.924 -8.406 6.713 1.00 14.22 H new ATOM 409 N PRO A 30 -3.637 -6.396 10.374 1.00 13.51 N ATOM 410 CA PRO A 30 -3.961 -4.970 10.246 1.00 22.30 C ATOM 411 C PRO A 30 -2.868 -4.178 9.514 1.00 21.31 C ATOM 412 O PRO A 30 -1.755 -4.680 9.376 1.00 54.35 O ATOM 413 CB PRO A 30 -4.030 -4.484 11.691 1.00 23.40 C ATOM 414 CG PRO A 30 -3.045 -5.371 12.447 1.00 54.55 C ATOM 415 CD PRO A 30 -3.141 -6.697 11.709 1.00 55.13 C ATOM 0 HA PRO A 30 -4.876 -4.829 9.671 1.00 22.30 H new ATOM 0 HB2 PRO A 30 -3.755 -3.432 11.768 1.00 23.40 H new ATOM 0 HB3 PRO A 30 -5.038 -4.580 12.093 1.00 23.40 H new ATOM 0 HG2 PRO A 30 -2.033 -4.966 12.419 1.00 54.55 H new ATOM 0 HG3 PRO A 30 -3.318 -5.473 13.497 1.00 54.55 H new ATOM 0 HD2 PRO A 30 -2.167 -7.184 11.660 1.00 55.13 H new ATOM 0 HD3 PRO A 30 -3.814 -7.381 12.227 1.00 55.13 H new ATOM 420 N LEU A 31 -3.111 -2.903 9.167 1.00 32.00 N ATOM 421 CA LEU A 31 -2.105 -1.981 8.618 1.00 73.14 C ATOM 422 C LEU A 31 -0.748 -2.047 9.342 1.00 22.23 C ATOM 423 O LEU A 31 0.219 -2.367 8.665 1.00 44.53 O ATOM 424 CB LEU A 31 -2.620 -0.535 8.513 1.00 55.53 C ATOM 425 CG LEU A 31 -1.539 0.428 7.950 1.00 52.13 C ATOM 426 CD1 LEU A 31 -1.944 1.031 6.623 1.00 72.02 C ATOM 427 CD2 LEU A 31 -1.198 1.557 8.915 1.00 20.42 C ATOM 0 H LEU A 31 -4.032 -2.476 9.263 1.00 32.00 H new ATOM 0 HA LEU A 31 -1.925 -2.335 7.603 1.00 73.14 H new ATOM 0 HB2 LEU A 31 -3.499 -0.509 7.869 1.00 55.53 H new ATOM 0 HB3 LEU A 31 -2.935 -0.190 9.498 1.00 55.53 H new ATOM 0 HG LEU A 31 -0.655 -0.193 7.808 1.00 52.13 H new ATOM 0 HD11 LEU A 31 -1.156 1.697 6.270 1.00 72.02 H new ATOM 0 HD12 LEU A 31 -2.100 0.235 5.894 1.00 72.02 H new ATOM 0 HD13 LEU A 31 -2.868 1.596 6.747 1.00 72.02 H new ATOM 0 HD21 LEU A 31 -0.438 2.199 8.470 1.00 20.42 H new ATOM 0 HD22 LEU A 31 -2.094 2.144 9.120 1.00 20.42 H new ATOM 0 HD23 LEU A 31 -0.818 1.137 9.847 1.00 20.42 H new ATOM 438 N PRO A 32 -0.582 -1.811 10.654 1.00 12.40 N ATOM 439 CA PRO A 32 0.717 -1.943 11.340 1.00 51.25 C ATOM 440 C PRO A 32 1.349 -3.348 11.281 1.00 24.02 C ATOM 441 O PRO A 32 2.462 -3.513 11.778 1.00 71.22 O ATOM 442 CB PRO A 32 0.473 -1.464 12.775 1.00 35.34 C ATOM 443 CG PRO A 32 -1.044 -1.556 12.958 1.00 3.44 C ATOM 444 CD PRO A 32 -1.591 -1.298 11.560 1.00 55.42 C ATOM 0 HA PRO A 32 1.465 -1.339 10.826 1.00 51.25 H new ATOM 0 HB2 PRO A 32 0.998 -2.089 13.497 1.00 35.34 H new ATOM 0 HB3 PRO A 32 0.829 -0.444 12.919 1.00 35.34 H new ATOM 0 HG2 PRO A 32 -1.344 -2.535 13.331 1.00 3.44 H new ATOM 0 HG3 PRO A 32 -1.407 -0.818 13.673 1.00 3.44 H new ATOM 0 HD2 PRO A 32 -2.546 -1.803 11.412 1.00 55.42 H new ATOM 0 HD3 PRO A 32 -1.764 -0.234 11.395 1.00 55.42 H new ATOM 449 N ALA A 33 0.728 -4.341 10.642 1.00 32.40 N ATOM 450 CA ALA A 33 1.368 -5.580 10.220 1.00 12.40 C ATOM 451 C ALA A 33 1.230 -5.851 8.714 1.00 35.11 C ATOM 452 O ALA A 33 1.777 -6.851 8.255 1.00 31.10 O ATOM 453 CB ALA A 33 0.882 -6.744 11.073 1.00 33.31 C ATOM 0 H ALA A 33 -0.262 -4.301 10.399 1.00 32.40 H new ATOM 0 HA ALA A 33 2.439 -5.466 10.385 1.00 12.40 H new ATOM 0 HB1 ALA A 33 1.369 -7.663 10.746 1.00 33.31 H new ATOM 0 HB2 ALA A 33 1.127 -6.556 12.118 1.00 33.31 H new ATOM 0 HB3 ALA A 33 -0.198 -6.848 10.966 1.00 33.31 H new ATOM 459 N PHE A 34 0.631 -4.982 7.897 1.00 31.23 N ATOM 460 CA PHE A 34 0.661 -5.138 6.439 1.00 32.31 C ATOM 461 C PHE A 34 1.941 -4.612 5.755 1.00 55.43 C ATOM 462 O PHE A 34 2.098 -4.802 4.550 1.00 60.23 O ATOM 463 CB PHE A 34 -0.617 -4.541 5.830 1.00 72.14 C ATOM 464 CG PHE A 34 -0.852 -4.890 4.354 1.00 11.11 C ATOM 465 CD1 PHE A 34 -0.501 -6.155 3.819 1.00 2.10 C ATOM 466 CD2 PHE A 34 -1.399 -3.922 3.490 1.00 40.22 C ATOM 467 CE1 PHE A 34 -0.662 -6.421 2.447 1.00 23.40 C ATOM 468 CE2 PHE A 34 -1.549 -4.180 2.117 1.00 64.43 C ATOM 469 CZ PHE A 34 -1.164 -5.423 1.596 1.00 64.42 C ATOM 0 H PHE A 34 0.118 -4.161 8.220 1.00 31.23 H new ATOM 0 HA PHE A 34 0.691 -6.209 6.241 1.00 32.31 H new ATOM 0 HB2 PHE A 34 -1.473 -4.884 6.410 1.00 72.14 H new ATOM 0 HB3 PHE A 34 -0.578 -3.456 5.930 1.00 72.14 H new ATOM 0 HD1 PHE A 34 -0.107 -6.921 4.470 1.00 2.10 H new ATOM 0 HD2 PHE A 34 -1.708 -2.967 3.889 1.00 40.22 H new ATOM 0 HE1 PHE A 34 -0.400 -7.390 2.049 1.00 23.40 H new ATOM 0 HE2 PHE A 34 -1.960 -3.423 1.465 1.00 64.43 H new ATOM 0 HZ PHE A 34 -1.254 -5.614 0.537 1.00 64.42 H new ATOM 478 N GLY A 35 2.877 -3.982 6.474 1.00 42.33 N ATOM 479 CA GLY A 35 4.021 -3.317 5.864 1.00 33.40 C ATOM 480 C GLY A 35 5.351 -3.554 6.570 1.00 74.02 C ATOM 481 O GLY A 35 6.296 -4.013 5.937 1.00 15.23 O ATOM 0 H GLY A 35 2.858 -3.922 7.492 1.00 42.33 H new ATOM 0 HA2 GLY A 35 4.110 -3.653 4.831 1.00 33.40 H new ATOM 0 HA3 GLY A 35 3.827 -2.245 5.835 1.00 33.40 H new ATOM 485 N GLN A 36 5.451 -3.242 7.859 1.00 71.44 N ATOM 486 CA GLN A 36 6.667 -3.302 8.676 1.00 2.50 C ATOM 487 C GLN A 36 7.442 -4.623 8.472 1.00 40.12 C ATOM 488 O GLN A 36 8.630 -4.645 8.138 1.00 60.05 O ATOM 489 CB GLN A 36 6.214 -3.094 10.137 1.00 63.14 C ATOM 490 CG GLN A 36 5.742 -1.644 10.378 1.00 43.12 C ATOM 491 CD GLN A 36 5.000 -1.408 11.682 1.00 41.44 C ATOM 492 OE1 GLN A 36 5.390 -1.891 12.742 1.00 31.23 O ATOM 493 NE2 GLN A 36 3.972 -0.573 11.676 1.00 44.51 N ATOM 0 H GLN A 36 4.644 -2.923 8.394 1.00 71.44 H new ATOM 0 HA GLN A 36 7.375 -2.527 8.383 1.00 2.50 H new ATOM 0 HB2 GLN A 36 5.405 -3.786 10.371 1.00 63.14 H new ATOM 0 HB3 GLN A 36 7.038 -3.327 10.812 1.00 63.14 H new ATOM 0 HG2 GLN A 36 6.612 -0.988 10.351 1.00 43.12 H new ATOM 0 HG3 GLN A 36 5.094 -1.349 9.553 1.00 43.12 H new ATOM 0 HE21 GLN A 36 3.647 -0.171 10.797 1.00 44.51 H new ATOM 0 HE22 GLN A 36 3.506 -0.332 12.551 1.00 44.51 H new ATOM 500 N ARG A 37 6.728 -5.727 8.644 1.00 73.11 N ATOM 501 CA ARG A 37 7.110 -7.141 8.608 1.00 12.40 C ATOM 502 C ARG A 37 6.810 -7.810 7.255 1.00 15.52 C ATOM 503 O ARG A 37 6.941 -9.026 7.146 1.00 44.53 O ATOM 504 CB ARG A 37 6.356 -7.884 9.741 1.00 32.24 C ATOM 505 CG ARG A 37 6.330 -7.103 11.071 1.00 12.52 C ATOM 506 CD ARG A 37 6.249 -8.027 12.285 1.00 24.40 C ATOM 507 NE ARG A 37 7.602 -8.379 12.727 1.00 1.52 N ATOM 508 CZ ARG A 37 7.948 -9.144 13.760 1.00 40.44 C ATOM 509 NH1 ARG A 37 7.050 -9.851 14.438 1.00 15.42 N ATOM 510 NH2 ARG A 37 9.220 -9.166 14.117 1.00 64.24 N ATOM 0 H ARG A 37 5.730 -5.644 8.839 1.00 73.11 H new ATOM 0 HA ARG A 37 8.189 -7.200 8.750 1.00 12.40 H new ATOM 0 HB2 ARG A 37 5.332 -8.077 9.421 1.00 32.24 H new ATOM 0 HB3 ARG A 37 6.826 -8.853 9.906 1.00 32.24 H new ATOM 0 HG2 ARG A 37 7.226 -6.487 11.145 1.00 12.52 H new ATOM 0 HG3 ARG A 37 5.476 -6.426 11.075 1.00 12.52 H new ATOM 0 HD2 ARG A 37 5.708 -7.535 13.093 1.00 24.40 H new ATOM 0 HD3 ARG A 37 5.692 -8.929 12.031 1.00 24.40 H new ATOM 0 HE ARG A 37 8.369 -7.992 12.178 1.00 1.52 H new ATOM 0 HH11 ARG A 37 6.066 -9.816 14.171 1.00 15.42 H new ATOM 0 HH12 ARG A 37 7.345 -10.429 15.225 1.00 15.42 H new ATOM 0 HH21 ARG A 37 9.903 -8.607 13.605 1.00 64.24 H new ATOM 0 HH22 ARG A 37 9.519 -9.742 14.904 1.00 64.24 H new ATOM 521 N ILE A 38 6.347 -7.058 6.250 1.00 23.03 N ATOM 522 CA ILE A 38 5.861 -7.588 4.973 1.00 61.23 C ATOM 523 C ILE A 38 6.664 -6.913 3.860 1.00 60.25 C ATOM 524 O ILE A 38 7.488 -7.552 3.220 1.00 32.00 O ATOM 525 CB ILE A 38 4.325 -7.375 4.844 1.00 64.42 C ATOM 526 CG1 ILE A 38 3.498 -8.062 5.947 1.00 32.11 C ATOM 527 CG2 ILE A 38 3.781 -7.785 3.462 1.00 12.30 C ATOM 528 CD1 ILE A 38 3.378 -9.581 5.874 1.00 71.23 C ATOM 0 H ILE A 38 6.299 -6.041 6.304 1.00 23.03 H new ATOM 0 HA ILE A 38 6.011 -8.665 4.903 1.00 61.23 H new ATOM 0 HB ILE A 38 4.202 -6.299 4.968 1.00 64.42 H new ATOM 0 HG12 ILE A 38 3.936 -7.802 6.911 1.00 32.11 H new ATOM 0 HG13 ILE A 38 2.493 -7.641 5.929 1.00 32.11 H new ATOM 0 HG21 ILE A 38 2.705 -7.615 3.429 1.00 12.30 H new ATOM 0 HG22 ILE A 38 4.266 -7.189 2.689 1.00 12.30 H new ATOM 0 HG23 ILE A 38 3.987 -8.841 3.289 1.00 12.30 H new ATOM 0 HD11 ILE A 38 2.772 -9.939 6.706 1.00 71.23 H new ATOM 0 HD12 ILE A 38 2.906 -9.864 4.933 1.00 71.23 H new ATOM 0 HD13 ILE A 38 4.371 -10.028 5.930 1.00 71.23 H new ATOM 539 N ILE A 39 6.430 -5.617 3.668 1.00 14.44 N ATOM 540 CA ILE A 39 6.990 -4.731 2.653 1.00 72.15 C ATOM 541 C ILE A 39 8.385 -4.216 3.094 1.00 21.34 C ATOM 542 O ILE A 39 9.045 -3.472 2.373 1.00 11.31 O ATOM 543 CB ILE A 39 5.963 -3.577 2.437 1.00 75.04 C ATOM 544 CG1 ILE A 39 4.490 -4.036 2.236 1.00 41.25 C ATOM 545 CG2 ILE A 39 6.299 -2.671 1.252 1.00 61.45 C ATOM 546 CD1 ILE A 39 4.161 -4.854 0.985 1.00 41.13 C ATOM 0 H ILE A 39 5.783 -5.115 4.276 1.00 14.44 H new ATOM 0 HA ILE A 39 7.150 -5.252 1.709 1.00 72.15 H new ATOM 0 HB ILE A 39 6.047 -3.033 3.378 1.00 75.04 H new ATOM 0 HG12 ILE A 39 4.201 -4.625 3.107 1.00 41.25 H new ATOM 0 HG13 ILE A 39 3.860 -3.146 2.230 1.00 41.25 H new ATOM 0 HG21 ILE A 39 5.542 -1.892 1.163 1.00 61.45 H new ATOM 0 HG22 ILE A 39 7.275 -2.212 1.410 1.00 61.45 H new ATOM 0 HG23 ILE A 39 6.320 -3.262 0.337 1.00 61.45 H new ATOM 0 HD11 ILE A 39 3.099 -5.101 0.981 1.00 41.13 H new ATOM 0 HD12 ILE A 39 4.401 -4.271 0.096 1.00 41.13 H new ATOM 0 HD13 ILE A 39 4.748 -5.773 0.986 1.00 41.13 H new ATOM 557 N GLY A 40 8.827 -4.533 4.319 1.00 22.40 N ATOM 558 CA GLY A 40 10.096 -4.059 4.865 1.00 53.35 C ATOM 559 C GLY A 40 10.153 -2.533 5.009 1.00 71.04 C ATOM 560 O GLY A 40 11.238 -1.967 5.099 1.00 41.51 O ATOM 0 H GLY A 40 8.306 -5.131 4.960 1.00 22.40 H new ATOM 0 HA2 GLY A 40 10.259 -4.517 5.841 1.00 53.35 H new ATOM 0 HA3 GLY A 40 10.909 -4.388 4.218 1.00 53.35 H new ATOM 564 N TRP A 41 9.006 -1.846 5.039 1.00 14.33 N ATOM 565 CA TRP A 41 8.910 -0.399 4.824 1.00 74.14 C ATOM 566 C TRP A 41 8.962 0.452 6.091 1.00 14.21 C ATOM 567 O TRP A 41 8.565 1.621 6.063 1.00 1.13 O ATOM 568 CB TRP A 41 7.671 -0.125 3.958 1.00 0.44 C ATOM 569 CG TRP A 41 6.339 -0.103 4.643 1.00 22.02 C ATOM 570 CD1 TRP A 41 6.101 -0.433 5.931 1.00 35.44 C ATOM 571 CD2 TRP A 41 5.051 0.311 4.103 1.00 3.40 C ATOM 572 NE1 TRP A 41 4.815 -0.102 6.273 1.00 71.25 N ATOM 573 CE2 TRP A 41 4.111 0.324 5.174 1.00 13.40 C ATOM 574 CE3 TRP A 41 4.574 0.674 2.825 1.00 41.54 C ATOM 575 CZ2 TRP A 41 2.781 0.701 4.997 1.00 32.32 C ATOM 576 CZ3 TRP A 41 3.218 0.987 2.624 1.00 35.42 C ATOM 577 CH2 TRP A 41 2.329 1.018 3.713 1.00 22.32 C ATOM 0 H TRP A 41 8.104 -2.288 5.216 1.00 14.33 H new ATOM 0 HA TRP A 41 9.810 -0.079 4.299 1.00 74.14 H new ATOM 0 HB2 TRP A 41 7.811 0.837 3.465 1.00 0.44 H new ATOM 0 HB3 TRP A 41 7.634 -0.882 3.175 1.00 0.44 H new ATOM 0 HD1 TRP A 41 6.819 -0.891 6.595 1.00 35.44 H new ATOM 0 HE1 TRP A 41 4.433 -0.164 7.217 1.00 71.25 H new ATOM 0 HE3 TRP A 41 5.259 0.712 1.991 1.00 41.54 H new ATOM 0 HZ2 TRP A 41 2.109 0.748 5.841 1.00 32.32 H new ATOM 0 HZ3 TRP A 41 2.858 1.204 1.629 1.00 35.42 H new ATOM 0 HH2 TRP A 41 1.295 1.287 3.557 1.00 22.32 H new ATOM 587 N GLY A 42 9.419 -0.125 7.202 1.00 73.25 N ATOM 588 CA GLY A 42 9.424 0.515 8.510 1.00 72.45 C ATOM 589 C GLY A 42 8.096 1.217 8.786 1.00 14.51 C ATOM 590 O GLY A 42 7.026 0.623 8.632 1.00 21.00 O ATOM 0 H GLY A 42 9.803 -1.070 7.214 1.00 73.25 H new ATOM 0 HA2 GLY A 42 9.611 -0.231 9.282 1.00 72.45 H new ATOM 0 HA3 GLY A 42 10.238 1.238 8.561 1.00 72.45 H new ATOM 594 N THR A 43 8.159 2.496 9.170 1.00 74.34 N ATOM 595 CA THR A 43 6.920 3.218 9.548 1.00 43.32 C ATOM 596 C THR A 43 6.959 4.749 9.463 1.00 42.44 C ATOM 597 O THR A 43 6.021 5.430 9.882 1.00 52.23 O ATOM 598 CB THR A 43 6.418 2.806 10.965 1.00 64.32 C ATOM 599 OG1 THR A 43 7.027 1.647 11.516 1.00 72.24 O ATOM 600 CG2 THR A 43 4.919 2.550 10.899 1.00 73.24 C ATOM 0 H THR A 43 9.017 3.045 9.230 1.00 74.34 H new ATOM 0 HA THR A 43 6.223 2.898 8.773 1.00 43.32 H new ATOM 0 HB THR A 43 6.688 3.637 11.617 1.00 64.32 H new ATOM 0 HG1 THR A 43 6.650 1.470 12.403 1.00 72.24 H new ATOM 0 HG21 THR A 43 4.556 2.261 11.885 1.00 73.24 H new ATOM 0 HG22 THR A 43 4.409 3.457 10.576 1.00 73.24 H new ATOM 0 HG23 THR A 43 4.718 1.748 10.189 1.00 73.24 H new ATOM 608 N GLY A 44 7.979 5.286 8.817 1.00 11.41 N ATOM 609 CA GLY A 44 8.420 6.657 9.065 1.00 44.52 C ATOM 610 C GLY A 44 9.222 7.230 7.903 1.00 43.41 C ATOM 611 O GLY A 44 10.347 7.706 8.092 1.00 60.21 O ATOM 0 H GLY A 44 8.524 4.793 8.110 1.00 11.41 H new ATOM 0 HA2 GLY A 44 7.550 7.288 9.248 1.00 44.52 H new ATOM 0 HA3 GLY A 44 9.028 6.682 9.969 1.00 44.52 H new ATOM 615 N ALA A 45 8.640 7.144 6.703 1.00 60.25 N ATOM 616 CA ALA A 45 9.147 7.557 5.396 1.00 24.11 C ATOM 617 C ALA A 45 10.357 6.732 4.980 1.00 34.43 C ATOM 618 O ALA A 45 10.282 5.958 4.029 1.00 12.32 O ATOM 619 CB ALA A 45 9.397 9.075 5.356 1.00 33.13 C ATOM 0 H ALA A 45 7.707 6.742 6.617 1.00 60.25 H new ATOM 0 HA ALA A 45 8.380 7.354 4.648 1.00 24.11 H new ATOM 0 HB1 ALA A 45 9.774 9.356 4.373 1.00 33.13 H new ATOM 0 HB2 ALA A 45 8.463 9.603 5.551 1.00 33.13 H new ATOM 0 HB3 ALA A 45 10.131 9.343 6.116 1.00 33.13 H new ATOM 625 N GLU A 46 11.449 6.859 5.715 1.00 63.42 N ATOM 626 CA GLU A 46 12.719 6.235 5.437 1.00 33.33 C ATOM 627 C GLU A 46 12.614 4.723 5.320 1.00 13.50 C ATOM 628 O GLU A 46 13.215 4.158 4.417 1.00 55.51 O ATOM 629 CB GLU A 46 13.695 6.601 6.549 1.00 20.24 C ATOM 630 CG GLU A 46 14.951 7.221 5.936 1.00 20.21 C ATOM 631 CD GLU A 46 16.174 6.937 6.791 1.00 53.44 C ATOM 632 OE1 GLU A 46 16.080 7.160 8.019 1.00 11.42 O ATOM 633 OE2 GLU A 46 17.217 6.532 6.224 1.00 22.32 O ATOM 0 H GLU A 46 11.468 7.429 6.561 1.00 63.42 H new ATOM 0 HA GLU A 46 13.072 6.602 4.473 1.00 33.33 H new ATOM 0 HB2 GLU A 46 13.229 7.303 7.241 1.00 20.24 H new ATOM 0 HB3 GLU A 46 13.958 5.713 7.125 1.00 20.24 H new ATOM 0 HG2 GLU A 46 15.104 6.823 4.933 1.00 20.21 H new ATOM 0 HG3 GLU A 46 14.816 8.298 5.835 1.00 20.21 H new ATOM 638 N GLY A 47 11.821 4.069 6.172 1.00 53.51 N ATOM 639 CA GLY A 47 11.573 2.643 6.066 1.00 72.35 C ATOM 640 C GLY A 47 11.223 2.249 4.629 1.00 13.22 C ATOM 641 O GLY A 47 11.801 1.322 4.063 1.00 4.51 O ATOM 0 H GLY A 47 11.338 4.518 6.950 1.00 53.51 H new ATOM 0 HA2 GLY A 47 12.455 2.092 6.393 1.00 72.35 H new ATOM 0 HA3 GLY A 47 10.757 2.362 6.732 1.00 72.35 H new ATOM 645 N ALA A 48 10.280 2.986 4.034 1.00 1.51 N ATOM 646 CA ALA A 48 9.832 2.766 2.676 1.00 73.33 C ATOM 647 C ALA A 48 10.910 3.172 1.672 1.00 72.15 C ATOM 648 O ALA A 48 11.019 2.521 0.643 1.00 60.05 O ATOM 649 CB ALA A 48 8.514 3.518 2.427 1.00 64.44 C ATOM 0 H ALA A 48 9.806 3.761 4.498 1.00 1.51 H new ATOM 0 HA ALA A 48 9.646 1.701 2.536 1.00 73.33 H new ATOM 0 HB1 ALA A 48 8.185 3.346 1.402 1.00 64.44 H new ATOM 0 HB2 ALA A 48 7.753 3.156 3.118 1.00 64.44 H new ATOM 0 HB3 ALA A 48 8.669 4.585 2.584 1.00 64.44 H new ATOM 655 N ARG A 49 11.730 4.198 1.932 1.00 61.25 N ATOM 656 CA ARG A 49 12.870 4.512 1.062 1.00 35.23 C ATOM 657 C ARG A 49 13.799 3.298 0.997 1.00 74.02 C ATOM 658 O ARG A 49 14.201 2.896 -0.097 1.00 1.11 O ATOM 659 CB ARG A 49 13.586 5.768 1.590 1.00 24.33 C ATOM 660 CG ARG A 49 14.857 6.165 0.811 1.00 11.44 C ATOM 661 CD ARG A 49 15.814 6.977 1.703 1.00 24.21 C ATOM 662 NE ARG A 49 17.206 6.903 1.218 1.00 33.21 N ATOM 663 CZ ARG A 49 18.324 6.939 1.960 1.00 72.45 C ATOM 664 NH1 ARG A 49 18.285 7.201 3.263 1.00 73.42 N ATOM 665 NH2 ARG A 49 19.486 6.689 1.369 1.00 51.22 N ATOM 0 H ARG A 49 11.626 4.821 2.733 1.00 61.25 H new ATOM 0 HA ARG A 49 12.534 4.729 0.048 1.00 35.23 H new ATOM 0 HB2 ARG A 49 12.887 6.604 1.567 1.00 24.33 H new ATOM 0 HB3 ARG A 49 13.853 5.605 2.634 1.00 24.33 H new ATOM 0 HG2 ARG A 49 15.362 5.269 0.449 1.00 11.44 H new ATOM 0 HG3 ARG A 49 14.583 6.752 -0.065 1.00 11.44 H new ATOM 0 HD2 ARG A 49 15.492 8.018 1.729 1.00 24.21 H new ATOM 0 HD3 ARG A 49 15.764 6.603 2.725 1.00 24.21 H new ATOM 0 HE ARG A 49 17.332 6.815 0.210 1.00 33.21 H new ATOM 0 HH11 ARG A 49 17.391 7.380 3.721 1.00 73.42 H new ATOM 0 HH12 ARG A 49 19.149 7.223 3.805 1.00 73.42 H new ATOM 0 HH21 ARG A 49 19.516 6.475 0.372 1.00 51.22 H new ATOM 0 HH22 ARG A 49 20.349 6.710 1.912 1.00 51.22 H new ATOM 676 N GLN A 50 14.120 2.702 2.149 1.00 75.01 N ATOM 677 CA GLN A 50 15.123 1.665 2.270 1.00 51.33 C ATOM 678 C GLN A 50 14.728 0.437 1.466 1.00 54.45 C ATOM 679 O GLN A 50 15.633 -0.241 0.984 1.00 44.34 O ATOM 680 CB GLN A 50 15.349 1.265 3.743 1.00 43.55 C ATOM 681 CG GLN A 50 16.023 2.316 4.639 1.00 13.12 C ATOM 682 CD GLN A 50 17.307 2.899 4.056 1.00 72.11 C ATOM 683 OE1 GLN A 50 18.104 2.202 3.424 1.00 3.40 O ATOM 684 NE2 GLN A 50 17.496 4.203 4.191 1.00 55.24 N ATOM 0 H GLN A 50 13.675 2.939 3.036 1.00 75.01 H new ATOM 0 HA GLN A 50 16.054 2.070 1.875 1.00 51.33 H new ATOM 0 HB2 GLN A 50 14.383 1.011 4.180 1.00 43.55 H new ATOM 0 HB3 GLN A 50 15.956 0.360 3.762 1.00 43.55 H new ATOM 0 HG2 GLN A 50 15.319 3.127 4.822 1.00 13.12 H new ATOM 0 HG3 GLN A 50 16.247 1.864 5.605 1.00 13.12 H new ATOM 0 HE21 GLN A 50 16.826 4.764 4.717 1.00 55.24 H new ATOM 0 HE22 GLN A 50 18.312 4.647 3.769 1.00 55.24 H new ATOM 691 N ARG A 51 13.426 0.167 1.280 1.00 64.32 N ATOM 692 CA ARG A 51 12.969 -0.985 0.499 1.00 44.21 C ATOM 693 C ARG A 51 12.348 -0.650 -0.856 1.00 42.45 C ATOM 694 O ARG A 51 11.803 -1.525 -1.516 1.00 75.43 O ATOM 695 CB ARG A 51 12.104 -1.916 1.373 1.00 42.25 C ATOM 696 CG ARG A 51 12.991 -2.848 2.208 1.00 4.52 C ATOM 697 CD ARG A 51 13.752 -3.894 1.376 1.00 3.12 C ATOM 698 NE ARG A 51 14.560 -4.735 2.265 1.00 35.02 N ATOM 699 CZ ARG A 51 14.126 -5.822 2.908 1.00 44.11 C ATOM 700 NH1 ARG A 51 13.011 -6.448 2.546 1.00 31.32 N ATOM 701 NH2 ARG A 51 14.824 -6.247 3.955 1.00 51.22 N ATOM 0 H ARG A 51 12.671 0.736 1.663 1.00 64.32 H new ATOM 0 HA ARG A 51 13.864 -1.534 0.208 1.00 44.21 H new ATOM 0 HB2 ARG A 51 11.471 -1.321 2.031 1.00 42.25 H new ATOM 0 HB3 ARG A 51 11.441 -2.506 0.740 1.00 42.25 H new ATOM 0 HG2 ARG A 51 13.710 -2.247 2.764 1.00 4.52 H new ATOM 0 HG3 ARG A 51 12.371 -3.363 2.942 1.00 4.52 H new ATOM 0 HD2 ARG A 51 13.049 -4.510 0.816 1.00 3.12 H new ATOM 0 HD3 ARG A 51 14.392 -3.398 0.647 1.00 3.12 H new ATOM 0 HE ARG A 51 15.534 -4.467 2.404 1.00 35.02 H new ATOM 0 HH11 ARG A 51 12.463 -6.100 1.759 1.00 31.32 H new ATOM 0 HH12 ARG A 51 12.703 -7.276 3.055 1.00 31.32 H new ATOM 0 HH21 ARG A 51 15.664 -5.746 4.245 1.00 51.22 H new ATOM 0 HH22 ARG A 51 14.520 -7.074 4.469 1.00 51.22 H new ATOM 712 N LEU A 52 12.448 0.598 -1.305 1.00 55.33 N ATOM 713 CA LEU A 52 11.896 1.050 -2.578 1.00 11.20 C ATOM 714 C LEU A 52 12.993 1.083 -3.628 1.00 72.13 C ATOM 715 O LEU A 52 12.926 0.374 -4.626 1.00 22.53 O ATOM 716 CB LEU A 52 11.283 2.432 -2.339 1.00 1.00 C ATOM 717 CG LEU A 52 10.996 3.346 -3.543 1.00 52.14 C ATOM 718 CD1 LEU A 52 10.361 2.686 -4.770 1.00 42.45 C ATOM 719 CD2 LEU A 52 10.095 4.461 -3.015 1.00 13.43 C ATOM 0 H LEU A 52 12.923 1.336 -0.785 1.00 55.33 H new ATOM 0 HA LEU A 52 11.126 0.374 -2.949 1.00 11.20 H new ATOM 0 HB2 LEU A 52 10.343 2.286 -1.807 1.00 1.00 H new ATOM 0 HB3 LEU A 52 11.949 2.974 -1.667 1.00 1.00 H new ATOM 0 HG LEU A 52 11.956 3.692 -3.926 1.00 52.14 H new ATOM 0 HD11 LEU A 52 10.209 3.434 -5.548 1.00 42.45 H new ATOM 0 HD12 LEU A 52 11.020 1.902 -5.144 1.00 42.45 H new ATOM 0 HD13 LEU A 52 9.401 2.251 -4.493 1.00 42.45 H new ATOM 0 HD21 LEU A 52 9.853 5.148 -3.826 1.00 13.43 H new ATOM 0 HD22 LEU A 52 9.176 4.029 -2.619 1.00 13.43 H new ATOM 0 HD23 LEU A 52 10.612 5.002 -2.223 1.00 13.43 H new ATOM 730 N GLU A 53 14.004 1.926 -3.424 1.00 42.41 N ATOM 731 CA GLU A 53 14.911 2.384 -4.488 1.00 53.02 C ATOM 732 C GLU A 53 15.837 1.284 -5.010 1.00 60.25 C ATOM 733 O GLU A 53 16.640 1.521 -5.908 1.00 34.21 O ATOM 734 CB GLU A 53 15.715 3.601 -3.987 1.00 0.00 C ATOM 735 CG GLU A 53 14.803 4.642 -3.321 1.00 55.24 C ATOM 736 CD GLU A 53 15.322 6.077 -3.331 1.00 4.40 C ATOM 737 OE1 GLU A 53 16.336 6.380 -2.662 1.00 63.44 O ATOM 738 OE2 GLU A 53 14.624 6.950 -3.900 1.00 74.35 O ATOM 0 H GLU A 53 14.223 2.317 -2.508 1.00 42.41 H new ATOM 0 HA GLU A 53 14.296 2.675 -5.340 1.00 53.02 H new ATOM 0 HB2 GLU A 53 16.472 3.271 -3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.242 4.060 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.834 4.622 -3.820 1.00 55.24 H new ATOM 0 HG3 GLU A 53 14.635 4.343 -2.286 1.00 55.24 H new ATOM 743 N ASN A 54 15.747 0.094 -4.424 1.00 51.34 N ATOM 744 CA ASN A 54 16.703 -0.991 -4.545 1.00 55.05 C ATOM 745 C ASN A 54 16.031 -2.353 -4.341 1.00 3.34 C ATOM 746 O ASN A 54 16.713 -3.321 -3.990 1.00 51.33 O ATOM 747 CB ASN A 54 17.818 -0.801 -3.511 1.00 44.22 C ATOM 748 CG ASN A 54 17.320 -0.862 -2.073 1.00 23.33 C ATOM 749 OD1 ASN A 54 17.556 -1.823 -1.352 1.00 3.31 O ATOM 750 ND2 ASN A 54 16.685 0.197 -1.592 1.00 11.13 N ATOM 0 H ASN A 54 14.961 -0.148 -3.820 1.00 51.34 H new ATOM 0 HA ASN A 54 17.121 -0.972 -5.552 1.00 55.05 H new ATOM 0 HB2 ASN A 54 18.576 -1.570 -3.659 1.00 44.22 H new ATOM 0 HB3 ASN A 54 18.302 0.161 -3.681 1.00 44.22 H new ATOM 0 HD21 ASN A 54 16.390 0.215 -0.616 1.00 11.13 H new ATOM 0 HD22 ASN A 54 16.491 0.994 -2.198 1.00 11.13 H new ATOM 756 N ILE A 55 14.705 -2.412 -4.511 1.00 1.21 N ATOM 757 CA ILE A 55 13.889 -3.607 -4.319 1.00 72.43 C ATOM 758 C ILE A 55 14.444 -4.786 -5.129 1.00 14.20 C ATOM 759 O ILE A 55 15.266 -4.601 -6.028 1.00 54.25 O ATOM 760 CB ILE A 55 12.426 -3.275 -4.682 1.00 42.02 C ATOM 761 CG1 ILE A 55 11.430 -4.196 -3.953 1.00 75.52 C ATOM 762 CG2 ILE A 55 12.182 -3.325 -6.202 1.00 54.24 C ATOM 763 CD1 ILE A 55 10.069 -3.510 -3.825 1.00 11.23 C ATOM 0 H ILE A 55 14.157 -1.600 -4.795 1.00 1.21 H new ATOM 0 HA ILE A 55 13.921 -3.917 -3.274 1.00 72.43 H new ATOM 0 HB ILE A 55 12.253 -2.253 -4.346 1.00 42.02 H new ATOM 0 HG12 ILE A 55 11.323 -5.133 -4.500 1.00 75.52 H new ATOM 0 HG13 ILE A 55 11.813 -4.447 -2.964 1.00 75.52 H new ATOM 0 HG21 ILE A 55 11.140 -3.085 -6.411 1.00 54.24 H new ATOM 0 HG22 ILE A 55 12.828 -2.601 -6.698 1.00 54.24 H new ATOM 0 HG23 ILE A 55 12.406 -4.325 -6.574 1.00 54.24 H new ATOM 0 HD11 ILE A 55 9.375 -4.172 -3.308 1.00 11.23 H new ATOM 0 HD12 ILE A 55 10.179 -2.586 -3.258 1.00 11.23 H new ATOM 0 HD13 ILE A 55 9.681 -3.282 -4.818 1.00 11.23 H new ATOM 774 N GLN A 56 13.980 -5.992 -4.820 1.00 42.41 N ATOM 775 CA GLN A 56 14.401 -7.194 -5.509 1.00 63.31 C ATOM 776 C GLN A 56 13.198 -7.981 -6.027 1.00 31.42 C ATOM 777 O GLN A 56 12.102 -7.867 -5.471 1.00 60.23 O ATOM 778 CB GLN A 56 15.264 -8.021 -4.543 1.00 31.15 C ATOM 779 CG GLN A 56 16.734 -7.580 -4.583 1.00 75.13 C ATOM 780 CD GLN A 56 17.311 -7.168 -3.233 1.00 33.13 C ATOM 781 OE1 GLN A 56 17.930 -7.973 -2.544 1.00 34.14 O ATOM 782 NE2 GLN A 56 17.245 -5.902 -2.853 1.00 2.44 N ATOM 0 H GLN A 56 13.298 -6.158 -4.080 1.00 42.41 H new ATOM 0 HA GLN A 56 14.994 -6.938 -6.387 1.00 63.31 H new ATOM 0 HB2 GLN A 56 14.879 -7.916 -3.529 1.00 31.15 H new ATOM 0 HB3 GLN A 56 15.193 -9.077 -4.803 1.00 31.15 H new ATOM 0 HG2 GLN A 56 17.334 -8.396 -4.986 1.00 75.13 H new ATOM 0 HG3 GLN A 56 16.830 -6.743 -5.275 1.00 75.13 H new ATOM 0 HE21 GLN A 56 16.733 -5.226 -3.419 1.00 2.44 H new ATOM 0 HE22 GLN A 56 17.706 -5.603 -1.994 1.00 2.44 H new ATOM 789 N PRO A 57 13.427 -8.881 -6.998 1.00 23.15 N ATOM 790 CA PRO A 57 12.409 -9.757 -7.566 1.00 42.21 C ATOM 791 C PRO A 57 11.831 -10.724 -6.533 1.00 42.42 C ATOM 792 O PRO A 57 10.740 -11.258 -6.715 1.00 1.45 O ATOM 793 CB PRO A 57 13.114 -10.511 -8.699 1.00 24.13 C ATOM 794 CG PRO A 57 14.593 -10.447 -8.334 1.00 12.13 C ATOM 795 CD PRO A 57 14.718 -9.114 -7.624 1.00 14.24 C ATOM 0 HA PRO A 57 11.554 -9.183 -7.923 1.00 42.21 H new ATOM 0 HB2 PRO A 57 12.766 -11.542 -8.767 1.00 24.13 H new ATOM 0 HB3 PRO A 57 12.923 -10.045 -9.666 1.00 24.13 H new ATOM 0 HG2 PRO A 57 14.885 -11.276 -7.689 1.00 12.13 H new ATOM 0 HG3 PRO A 57 15.228 -10.493 -9.219 1.00 12.13 H new ATOM 0 HD2 PRO A 57 15.515 -9.139 -6.881 1.00 14.24 H new ATOM 0 HD3 PRO A 57 14.962 -8.317 -8.327 1.00 14.24 H new ATOM 800 N ALA A 58 12.533 -10.946 -5.421 1.00 40.43 N ATOM 801 CA ALA A 58 12.011 -11.738 -4.329 1.00 54.43 C ATOM 802 C ALA A 58 11.058 -10.928 -3.450 1.00 13.35 C ATOM 803 O ALA A 58 10.055 -11.483 -2.992 1.00 44.32 O ATOM 804 CB ALA A 58 13.182 -12.294 -3.526 1.00 34.33 C ATOM 0 H ALA A 58 13.472 -10.581 -5.261 1.00 40.43 H new ATOM 0 HA ALA A 58 11.425 -12.564 -4.731 1.00 54.43 H new ATOM 0 HB1 ALA A 58 12.803 -12.894 -2.698 1.00 34.33 H new ATOM 0 HB2 ALA A 58 13.803 -12.916 -4.171 1.00 34.33 H new ATOM 0 HB3 ALA A 58 13.778 -11.470 -3.134 1.00 34.33 H new ATOM 810 N ASP A 59 11.330 -9.635 -3.234 1.00 40.22 N ATOM 811 CA ASP A 59 10.571 -8.801 -2.292 1.00 14.21 C ATOM 812 C ASP A 59 9.120 -8.623 -2.708 1.00 52.45 C ATOM 813 O ASP A 59 8.273 -8.376 -1.853 1.00 13.41 O ATOM 814 CB ASP A 59 11.199 -7.413 -2.099 1.00 41.15 C ATOM 815 CG ASP A 59 12.025 -7.372 -0.818 1.00 52.43 C ATOM 816 OD1 ASP A 59 13.192 -7.817 -0.863 1.00 35.13 O ATOM 817 OD2 ASP A 59 11.521 -6.913 0.234 1.00 40.32 O ATOM 0 H ASP A 59 12.083 -9.136 -3.708 1.00 40.22 H new ATOM 0 HA ASP A 59 10.606 -9.344 -1.347 1.00 14.21 H new ATOM 0 HB2 ASP A 59 11.831 -7.172 -2.954 1.00 41.15 H new ATOM 0 HB3 ASP A 59 10.416 -6.656 -2.058 1.00 41.15 H new ATOM 821 N VAL A 60 8.820 -8.782 -3.997 1.00 64.40 N ATOM 822 CA VAL A 60 7.454 -8.819 -4.492 1.00 75.51 C ATOM 823 C VAL A 60 6.832 -10.182 -4.173 1.00 4.23 C ATOM 824 O VAL A 60 5.773 -10.265 -3.548 1.00 1.34 O ATOM 825 CB VAL A 60 7.432 -8.435 -5.987 1.00 43.23 C ATOM 826 CG1 VAL A 60 8.499 -9.128 -6.840 1.00 43.21 C ATOM 827 CG2 VAL A 60 6.064 -8.704 -6.612 1.00 43.41 C ATOM 0 H VAL A 60 9.525 -8.889 -4.726 1.00 64.40 H new ATOM 0 HA VAL A 60 6.830 -8.080 -3.988 1.00 75.51 H new ATOM 0 HB VAL A 60 7.656 -7.368 -5.990 1.00 43.23 H new ATOM 0 HG11 VAL A 60 8.408 -8.798 -7.875 1.00 43.21 H new ATOM 0 HG12 VAL A 60 9.489 -8.872 -6.463 1.00 43.21 H new ATOM 0 HG13 VAL A 60 8.360 -10.208 -6.790 1.00 43.21 H new ATOM 0 HG21 VAL A 60 6.083 -8.423 -7.665 1.00 43.41 H new ATOM 0 HG22 VAL A 60 5.826 -9.764 -6.524 1.00 43.41 H new ATOM 0 HG23 VAL A 60 5.305 -8.118 -6.094 1.00 43.41 H new ATOM 837 N SER A 61 7.498 -11.262 -4.589 1.00 54.42 N ATOM 838 CA SER A 61 6.924 -12.594 -4.685 1.00 34.55 C ATOM 839 C SER A 61 6.406 -13.120 -3.351 1.00 12.13 C ATOM 840 O SER A 61 5.427 -13.867 -3.320 1.00 20.05 O ATOM 841 CB SER A 61 7.977 -13.520 -5.304 1.00 60.12 C ATOM 842 OG SER A 61 9.123 -13.613 -4.469 1.00 71.44 O ATOM 0 H SER A 61 8.477 -11.227 -4.874 1.00 54.42 H new ATOM 0 HA SER A 61 6.042 -12.555 -5.324 1.00 34.55 H new ATOM 0 HB2 SER A 61 7.551 -14.512 -5.456 1.00 60.12 H new ATOM 0 HB3 SER A 61 8.266 -13.144 -6.285 1.00 60.12 H new ATOM 0 HG SER A 61 9.192 -12.806 -3.917 1.00 71.44 H new ATOM 847 N MET A 62 7.058 -12.689 -2.276 1.00 15.35 N ATOM 848 CA MET A 62 6.824 -13.003 -0.884 1.00 33.23 C ATOM 849 C MET A 62 5.476 -12.471 -0.431 1.00 55.13 C ATOM 850 O MET A 62 4.782 -13.153 0.306 1.00 60.02 O ATOM 851 CB MET A 62 7.985 -12.481 -0.029 1.00 63.00 C ATOM 852 CG MET A 62 8.002 -10.972 0.232 1.00 32.24 C ATOM 853 SD MET A 62 9.562 -10.336 0.907 1.00 40.40 S ATOM 854 CE MET A 62 9.805 -11.460 2.299 1.00 35.35 C ATOM 0 H MET A 62 7.843 -12.045 -2.377 1.00 15.35 H new ATOM 0 HA MET A 62 6.787 -14.085 -0.757 1.00 33.23 H new ATOM 0 HB2 MET A 62 7.962 -12.995 0.932 1.00 63.00 H new ATOM 0 HB3 MET A 62 8.921 -12.756 -0.516 1.00 63.00 H new ATOM 0 HG2 MET A 62 7.788 -10.453 -0.702 1.00 32.24 H new ATOM 0 HG3 MET A 62 7.196 -10.728 0.924 1.00 32.24 H new ATOM 0 HE1 MET A 62 10.622 -11.096 2.922 1.00 35.35 H new ATOM 0 HE2 MET A 62 8.891 -11.509 2.891 1.00 35.35 H new ATOM 0 HE3 MET A 62 10.048 -12.455 1.925 1.00 35.35 H new ATOM 862 N ILE A 63 5.075 -11.279 -0.868 1.00 40.32 N ATOM 863 CA ILE A 63 3.930 -10.592 -0.289 1.00 54.22 C ATOM 864 C ILE A 63 2.662 -11.422 -0.517 1.00 75.41 C ATOM 865 O ILE A 63 1.843 -11.580 0.386 1.00 1.33 O ATOM 866 CB ILE A 63 3.853 -9.150 -0.845 1.00 0.33 C ATOM 867 CG1 ILE A 63 5.119 -8.331 -0.503 1.00 53.55 C ATOM 868 CG2 ILE A 63 2.615 -8.420 -0.294 1.00 63.45 C ATOM 869 CD1 ILE A 63 5.299 -7.119 -1.428 1.00 73.11 C ATOM 0 H ILE A 63 5.531 -10.769 -1.625 1.00 40.32 H new ATOM 0 HA ILE A 63 4.038 -10.495 0.791 1.00 54.22 H new ATOM 0 HB ILE A 63 3.779 -9.233 -1.929 1.00 0.33 H new ATOM 0 HG12 ILE A 63 5.060 -7.990 0.531 1.00 53.55 H new ATOM 0 HG13 ILE A 63 5.996 -8.974 -0.577 1.00 53.55 H new ATOM 0 HG21 ILE A 63 2.580 -7.408 -0.697 1.00 63.45 H new ATOM 0 HG22 ILE A 63 1.714 -8.959 -0.587 1.00 63.45 H new ATOM 0 HG23 ILE A 63 2.673 -8.375 0.794 1.00 63.45 H new ATOM 0 HD11 ILE A 63 6.202 -6.577 -1.146 1.00 73.11 H new ATOM 0 HD12 ILE A 63 5.387 -7.459 -2.460 1.00 73.11 H new ATOM 0 HD13 ILE A 63 4.436 -6.459 -1.335 1.00 73.11 H new ATOM 880 N LYS A 64 2.552 -12.045 -1.691 1.00 75.32 N ATOM 881 CA LYS A 64 1.458 -12.950 -2.044 1.00 43.33 C ATOM 882 C LYS A 64 1.305 -14.068 -1.033 1.00 32.34 C ATOM 883 O LYS A 64 0.189 -14.372 -0.605 1.00 74.30 O ATOM 884 CB LYS A 64 1.716 -13.550 -3.426 1.00 75.24 C ATOM 885 CG LYS A 64 1.779 -12.485 -4.525 1.00 40.42 C ATOM 886 CD LYS A 64 3.129 -12.375 -5.233 1.00 13.53 C ATOM 887 CE LYS A 64 3.447 -13.538 -6.189 1.00 61.30 C ATOM 888 NZ LYS A 64 3.771 -14.823 -5.524 1.00 43.33 N ATOM 0 H LYS A 64 3.236 -11.932 -2.439 1.00 75.32 H new ATOM 0 HA LYS A 64 0.535 -12.371 -2.049 1.00 43.33 H new ATOM 0 HB2 LYS A 64 2.654 -14.105 -3.408 1.00 75.24 H new ATOM 0 HB3 LYS A 64 0.927 -14.264 -3.662 1.00 75.24 H new ATOM 0 HG2 LYS A 64 1.012 -12.703 -5.268 1.00 40.42 H new ATOM 0 HG3 LYS A 64 1.534 -11.517 -4.088 1.00 40.42 H new ATOM 0 HD2 LYS A 64 3.154 -11.442 -5.796 1.00 13.53 H new ATOM 0 HD3 LYS A 64 3.915 -12.315 -4.481 1.00 13.53 H new ATOM 0 HE2 LYS A 64 2.592 -13.692 -6.847 1.00 61.30 H new ATOM 0 HE3 LYS A 64 4.288 -13.250 -6.820 1.00 61.30 H new ATOM 0 HZ1 LYS A 64 4.288 -15.436 -6.186 1.00 43.33 H new ATOM 0 HZ2 LYS A 64 4.362 -14.642 -4.687 1.00 43.33 H new ATOM 0 HZ3 LYS A 64 2.891 -15.294 -5.231 1.00 43.33 H new ATOM 898 N LYS A 65 2.431 -14.665 -0.645 1.00 23.33 N ATOM 899 CA LYS A 65 2.465 -15.802 0.256 1.00 60.22 C ATOM 900 C LYS A 65 1.897 -15.459 1.626 1.00 54.22 C ATOM 901 O LYS A 65 1.349 -16.342 2.286 1.00 55.11 O ATOM 902 CB LYS A 65 3.911 -16.317 0.372 1.00 34.25 C ATOM 903 CG LYS A 65 4.343 -17.126 -0.859 1.00 24.25 C ATOM 904 CD LYS A 65 5.509 -16.467 -1.606 1.00 34.34 C ATOM 905 CE LYS A 65 6.924 -16.759 -1.071 1.00 43.12 C ATOM 906 NZ LYS A 65 7.302 -18.190 -1.109 1.00 34.41 N ATOM 0 H LYS A 65 3.355 -14.364 -0.955 1.00 23.33 H new ATOM 0 HA LYS A 65 1.832 -16.588 -0.157 1.00 60.22 H new ATOM 0 HB2 LYS A 65 4.586 -15.471 0.503 1.00 34.25 H new ATOM 0 HB3 LYS A 65 4.002 -16.939 1.263 1.00 34.25 H new ATOM 0 HG2 LYS A 65 4.634 -18.130 -0.548 1.00 24.25 H new ATOM 0 HG3 LYS A 65 3.495 -17.235 -1.536 1.00 24.25 H new ATOM 0 HD2 LYS A 65 5.467 -16.782 -2.649 1.00 34.34 H new ATOM 0 HD3 LYS A 65 5.356 -15.388 -1.593 1.00 34.34 H new ATOM 0 HE2 LYS A 65 7.646 -16.188 -1.654 1.00 43.12 H new ATOM 0 HE3 LYS A 65 6.992 -16.403 -0.043 1.00 43.12 H new ATOM 0 HZ1 LYS A 65 8.303 -18.292 -0.846 1.00 34.41 H new ATOM 0 HZ2 LYS A 65 6.712 -18.723 -0.438 1.00 34.41 H new ATOM 0 HZ3 LYS A 65 7.157 -18.562 -2.069 1.00 34.41 H new ATOM 916 N GLN A 66 1.951 -14.189 2.017 1.00 15.14 N ATOM 917 CA GLN A 66 1.446 -13.718 3.292 1.00 52.42 C ATOM 918 C GLN A 66 -0.049 -13.360 3.212 1.00 34.45 C ATOM 919 O GLN A 66 -0.604 -12.866 4.194 1.00 14.14 O ATOM 920 CB GLN A 66 2.340 -12.566 3.785 1.00 72.12 C ATOM 921 CG GLN A 66 3.614 -13.071 4.489 1.00 33.22 C ATOM 922 CD GLN A 66 4.714 -13.492 3.521 1.00 60.20 C ATOM 923 OE1 GLN A 66 4.844 -14.657 3.162 1.00 32.23 O ATOM 924 NE2 GLN A 66 5.540 -12.555 3.085 1.00 40.54 N ATOM 0 H GLN A 66 2.355 -13.449 1.443 1.00 15.14 H new ATOM 0 HA GLN A 66 1.497 -14.515 4.034 1.00 52.42 H new ATOM 0 HB2 GLN A 66 2.620 -11.939 2.938 1.00 72.12 H new ATOM 0 HB3 GLN A 66 1.773 -11.938 4.472 1.00 72.12 H new ATOM 0 HG2 GLN A 66 3.995 -12.285 5.141 1.00 33.22 H new ATOM 0 HG3 GLN A 66 3.357 -13.917 5.126 1.00 33.22 H new ATOM 0 HE21 GLN A 66 5.422 -11.589 3.390 1.00 40.54 H new ATOM 0 HE22 GLN A 66 6.295 -12.799 2.443 1.00 40.54 H new ATOM 931 N GLY A 67 -0.724 -13.637 2.091 1.00 60.43 N ATOM 932 CA GLY A 67 -2.164 -13.491 1.954 1.00 40.23 C ATOM 933 C GLY A 67 -2.528 -12.222 1.205 1.00 51.52 C ATOM 934 O GLY A 67 -3.351 -11.446 1.681 1.00 71.44 O ATOM 0 H GLY A 67 -0.270 -13.975 1.242 1.00 60.43 H new ATOM 0 HA2 GLY A 67 -2.569 -14.354 1.427 1.00 40.23 H new ATOM 0 HA3 GLY A 67 -2.624 -13.476 2.942 1.00 40.23 H new ATOM 938 N THR A 68 -1.864 -11.921 0.090 1.00 34.41 N ATOM 939 CA THR A 68 -2.062 -10.681 -0.650 1.00 73.01 C ATOM 940 C THR A 68 -2.170 -10.954 -2.165 1.00 40.11 C ATOM 941 O THR A 68 -1.800 -12.028 -2.652 1.00 71.11 O ATOM 942 CB THR A 68 -0.904 -9.751 -0.248 1.00 24.02 C ATOM 943 OG1 THR A 68 -0.763 -9.749 1.170 1.00 75.05 O ATOM 944 CG2 THR A 68 -1.100 -8.297 -0.657 1.00 23.10 C ATOM 0 H THR A 68 -1.167 -12.539 -0.327 1.00 34.41 H new ATOM 0 HA THR A 68 -3.005 -10.193 -0.405 1.00 73.01 H new ATOM 0 HB THR A 68 -0.030 -10.144 -0.768 1.00 24.02 H new ATOM 0 HG1 THR A 68 0.067 -9.290 1.416 1.00 75.05 H new ATOM 0 HG21 THR A 68 -0.240 -7.710 -0.336 1.00 23.10 H new ATOM 0 HG22 THR A 68 -1.199 -8.234 -1.741 1.00 23.10 H new ATOM 0 HG23 THR A 68 -2.002 -7.905 -0.187 1.00 23.10 H new ATOM 952 N THR A 69 -2.672 -9.973 -2.914 1.00 33.00 N ATOM 953 CA THR A 69 -2.966 -10.005 -4.343 1.00 35.43 C ATOM 954 C THR A 69 -2.556 -8.667 -4.970 1.00 1.53 C ATOM 955 O THR A 69 -2.301 -7.705 -4.241 1.00 31.33 O ATOM 956 CB THR A 69 -4.476 -10.230 -4.535 1.00 0.54 C ATOM 957 OG1 THR A 69 -5.212 -9.409 -3.648 1.00 41.32 O ATOM 958 CG2 THR A 69 -4.875 -11.681 -4.294 1.00 15.55 C ATOM 0 H THR A 69 -2.900 -9.067 -2.505 1.00 33.00 H new ATOM 0 HA THR A 69 -2.413 -10.812 -4.824 1.00 35.43 H new ATOM 0 HB THR A 69 -4.703 -9.973 -5.570 1.00 0.54 H new ATOM 0 HG1 THR A 69 -6.171 -9.561 -3.782 1.00 41.32 H new ATOM 0 HG21 THR A 69 -5.949 -11.792 -4.441 1.00 15.55 H new ATOM 0 HG22 THR A 69 -4.344 -12.325 -4.995 1.00 15.55 H new ATOM 0 HG23 THR A 69 -4.617 -11.965 -3.274 1.00 15.55 H new ATOM 966 N LEU A 70 -2.545 -8.583 -6.306 1.00 42.25 N ATOM 967 CA LEU A 70 -2.301 -7.331 -7.035 1.00 35.03 C ATOM 968 C LEU A 70 -3.365 -6.281 -6.700 1.00 54.43 C ATOM 969 O LEU A 70 -3.064 -5.091 -6.607 1.00 32.23 O ATOM 970 CB LEU A 70 -2.245 -7.631 -8.543 1.00 3.11 C ATOM 971 CG LEU A 70 -1.998 -6.420 -9.463 1.00 53.23 C ATOM 972 CD1 LEU A 70 -0.705 -5.681 -9.111 1.00 4.24 C ATOM 973 CD2 LEU A 70 -1.893 -6.914 -10.909 1.00 3.00 C ATOM 0 H LEU A 70 -2.706 -9.385 -6.915 1.00 42.25 H new ATOM 0 HA LEU A 70 -1.344 -6.911 -6.727 1.00 35.03 H new ATOM 0 HB2 LEU A 70 -1.456 -8.363 -8.719 1.00 3.11 H new ATOM 0 HB3 LEU A 70 -3.185 -8.099 -8.836 1.00 3.11 H new ATOM 0 HG LEU A 70 -2.831 -5.728 -9.334 1.00 53.23 H new ATOM 0 HD11 LEU A 70 -0.574 -4.836 -9.786 1.00 4.24 H new ATOM 0 HD12 LEU A 70 -0.760 -5.320 -8.084 1.00 4.24 H new ATOM 0 HD13 LEU A 70 0.141 -6.360 -9.212 1.00 4.24 H new ATOM 0 HD21 LEU A 70 -1.718 -6.066 -11.571 1.00 3.00 H new ATOM 0 HD22 LEU A 70 -1.065 -7.618 -10.994 1.00 3.00 H new ATOM 0 HD23 LEU A 70 -2.821 -7.410 -11.192 1.00 3.00 H new ATOM 984 N GLU A 71 -4.584 -6.740 -6.413 1.00 55.34 N ATOM 985 CA GLU A 71 -5.677 -5.924 -5.906 1.00 60.31 C ATOM 986 C GLU A 71 -5.304 -5.160 -4.642 1.00 74.03 C ATOM 987 O GLU A 71 -5.818 -4.063 -4.445 1.00 22.12 O ATOM 988 CB GLU A 71 -6.868 -6.822 -5.564 1.00 51.24 C ATOM 989 CG GLU A 71 -7.806 -7.123 -6.730 1.00 44.22 C ATOM 990 CD GLU A 71 -9.253 -6.782 -6.350 1.00 54.44 C ATOM 991 OE1 GLU A 71 -9.651 -5.605 -6.535 1.00 11.53 O ATOM 992 OE2 GLU A 71 -9.987 -7.671 -5.844 1.00 63.24 O ATOM 0 H GLU A 71 -4.841 -7.720 -6.532 1.00 55.34 H new ATOM 0 HA GLU A 71 -5.919 -5.206 -6.689 1.00 60.31 H new ATOM 0 HB2 GLU A 71 -6.491 -7.765 -5.168 1.00 51.24 H new ATOM 0 HB3 GLU A 71 -7.443 -6.349 -4.768 1.00 51.24 H new ATOM 0 HG2 GLU A 71 -7.507 -6.546 -7.605 1.00 44.22 H new ATOM 0 HG3 GLU A 71 -7.733 -8.176 -7.002 1.00 44.22 H new ATOM 997 N MET A 72 -4.454 -5.724 -3.780 1.00 15.12 N ATOM 998 CA MET A 72 -4.040 -5.070 -2.541 1.00 33.34 C ATOM 999 C MET A 72 -2.932 -4.038 -2.789 1.00 43.25 C ATOM 1000 O MET A 72 -2.634 -3.245 -1.898 1.00 35.40 O ATOM 1001 CB MET A 72 -3.556 -6.096 -1.508 1.00 74.02 C ATOM 1002 CG MET A 72 -4.207 -5.920 -0.127 1.00 41.15 C ATOM 1003 SD MET A 72 -5.886 -6.577 0.099 1.00 12.14 S ATOM 1004 CE MET A 72 -5.608 -8.327 -0.257 1.00 23.13 C ATOM 0 H MET A 72 -4.036 -6.643 -3.923 1.00 15.12 H new ATOM 0 HA MET A 72 -4.917 -4.554 -2.150 1.00 33.34 H new ATOM 0 HB2 MET A 72 -3.767 -7.100 -1.876 1.00 74.02 H new ATOM 0 HB3 MET A 72 -2.474 -6.015 -1.405 1.00 74.02 H new ATOM 0 HG2 MET A 72 -3.559 -6.391 0.613 1.00 41.15 H new ATOM 0 HG3 MET A 72 -4.229 -4.854 0.101 1.00 41.15 H new ATOM 0 HE1 MET A 72 -6.337 -8.929 0.286 1.00 23.13 H new ATOM 0 HE2 MET A 72 -5.717 -8.502 -1.327 1.00 23.13 H new ATOM 0 HE3 MET A 72 -4.602 -8.606 0.055 1.00 23.13 H new ATOM 1012 N ILE A 73 -2.292 -4.054 -3.963 1.00 40.51 N ATOM 1013 CA ILE A 73 -1.165 -3.189 -4.310 1.00 11.12 C ATOM 1014 C ILE A 73 -1.606 -2.178 -5.381 1.00 13.33 C ATOM 1015 O ILE A 73 -0.820 -1.698 -6.187 1.00 3.52 O ATOM 1016 CB ILE A 73 0.068 -4.040 -4.703 1.00 41.44 C ATOM 1017 CG1 ILE A 73 0.346 -5.231 -3.751 1.00 53.33 C ATOM 1018 CG2 ILE A 73 1.370 -3.214 -4.823 1.00 71.43 C ATOM 1019 CD1 ILE A 73 0.588 -4.858 -2.280 1.00 32.03 C ATOM 0 H ILE A 73 -2.553 -4.688 -4.718 1.00 40.51 H new ATOM 0 HA ILE A 73 -0.849 -2.604 -3.447 1.00 11.12 H new ATOM 0 HB ILE A 73 -0.211 -4.430 -5.682 1.00 41.44 H new ATOM 0 HG12 ILE A 73 -0.499 -5.918 -3.800 1.00 53.33 H new ATOM 0 HG13 ILE A 73 1.218 -5.772 -4.119 1.00 53.33 H new ATOM 0 HG21 ILE A 73 2.194 -3.872 -5.101 1.00 71.43 H new ATOM 0 HG22 ILE A 73 1.245 -2.447 -5.587 1.00 71.43 H new ATOM 0 HG23 ILE A 73 1.590 -2.741 -3.866 1.00 71.43 H new ATOM 0 HD11 ILE A 73 0.772 -5.763 -1.701 1.00 32.03 H new ATOM 0 HD12 ILE A 73 1.454 -4.199 -2.209 1.00 32.03 H new ATOM 0 HD13 ILE A 73 -0.290 -4.347 -1.885 1.00 32.03 H new ATOM 1030 N THR A 74 -2.886 -1.824 -5.397 1.00 20.44 N ATOM 1031 CA THR A 74 -3.409 -0.814 -6.306 1.00 2.10 C ATOM 1032 C THR A 74 -4.047 0.313 -5.503 1.00 74.34 C ATOM 1033 O THR A 74 -3.778 1.484 -5.766 1.00 35.20 O ATOM 1034 CB THR A 74 -4.328 -1.476 -7.361 1.00 60.04 C ATOM 1035 OG1 THR A 74 -4.797 -2.761 -6.973 1.00 31.03 O ATOM 1036 CG2 THR A 74 -3.563 -1.667 -8.674 1.00 32.10 C ATOM 0 H THR A 74 -3.589 -2.230 -4.780 1.00 20.44 H new ATOM 0 HA THR A 74 -2.609 -0.347 -6.881 1.00 2.10 H new ATOM 0 HB THR A 74 -5.180 -0.805 -7.469 1.00 60.04 H new ATOM 0 HG1 THR A 74 -4.051 -3.397 -6.977 1.00 31.03 H new ATOM 0 HG21 THR A 74 -4.216 -2.133 -9.411 1.00 32.10 H new ATOM 0 HG22 THR A 74 -3.230 -0.698 -9.046 1.00 32.10 H new ATOM 0 HG23 THR A 74 -2.697 -2.306 -8.501 1.00 32.10 H new ATOM 1044 N ALA A 75 -4.797 -0.009 -4.450 1.00 1.13 N ATOM 1045 CA ALA A 75 -5.578 1.020 -3.761 1.00 54.12 C ATOM 1046 C ALA A 75 -4.739 1.728 -2.707 1.00 20.30 C ATOM 1047 O ALA A 75 -4.900 2.928 -2.520 1.00 1.32 O ATOM 1048 CB ALA A 75 -6.846 0.439 -3.145 1.00 35.10 C ATOM 0 H ALA A 75 -4.881 -0.949 -4.062 1.00 1.13 H new ATOM 0 HA ALA A 75 -5.879 1.756 -4.506 1.00 54.12 H new ATOM 0 HB1 ALA A 75 -7.402 1.230 -2.642 1.00 35.10 H new ATOM 0 HB2 ALA A 75 -7.465 0.003 -3.929 1.00 35.10 H new ATOM 0 HB3 ALA A 75 -6.579 -0.333 -2.423 1.00 35.10 H new ATOM 1054 N TRP A 76 -3.827 1.015 -2.039 1.00 20.11 N ATOM 1055 CA TRP A 76 -2.870 1.624 -1.129 1.00 2.40 C ATOM 1056 C TRP A 76 -1.885 2.503 -1.884 1.00 64.05 C ATOM 1057 O TRP A 76 -1.409 3.498 -1.338 1.00 20.00 O ATOM 1058 CB TRP A 76 -2.111 0.525 -0.397 1.00 3.31 C ATOM 1059 CG TRP A 76 -2.869 -0.090 0.727 1.00 44.15 C ATOM 1060 CD1 TRP A 76 -3.510 -1.276 0.686 1.00 31.02 C ATOM 1061 CD2 TRP A 76 -3.163 0.485 2.033 1.00 1.32 C ATOM 1062 NE1 TRP A 76 -4.191 -1.465 1.863 1.00 21.22 N ATOM 1063 CE2 TRP A 76 -4.033 -0.405 2.727 1.00 51.54 C ATOM 1064 CE3 TRP A 76 -2.824 1.696 2.677 1.00 43.45 C ATOM 1065 CZ2 TRP A 76 -4.596 -0.073 3.967 1.00 12.40 C ATOM 1066 CZ3 TRP A 76 -3.341 2.008 3.948 1.00 60.13 C ATOM 1067 CH2 TRP A 76 -4.265 1.147 4.564 1.00 20.03 C ATOM 0 H TRP A 76 -3.737 0.002 -2.118 1.00 20.11 H new ATOM 0 HA TRP A 76 -3.411 2.248 -0.417 1.00 2.40 H new ATOM 0 HB2 TRP A 76 -1.843 -0.254 -1.110 1.00 3.31 H new ATOM 0 HB3 TRP A 76 -1.179 0.937 -0.010 1.00 3.31 H new ATOM 0 HD1 TRP A 76 -3.491 -1.968 -0.143 1.00 31.02 H new ATOM 0 HE1 TRP A 76 -4.748 -2.293 2.073 1.00 21.22 H new ATOM 0 HE3 TRP A 76 -2.159 2.392 2.187 1.00 43.45 H new ATOM 0 HZ2 TRP A 76 -5.278 -0.753 4.456 1.00 12.40 H new ATOM 0 HZ3 TRP A 76 -3.027 2.911 4.451 1.00 60.13 H new ATOM 0 HH2 TRP A 76 -4.721 1.429 5.502 1.00 20.03 H new ATOM 1077 N GLN A 77 -1.570 2.130 -3.126 1.00 43.41 N ATOM 1078 CA GLN A 77 -0.749 2.949 -3.980 1.00 22.02 C ATOM 1079 C GLN A 77 -1.496 4.240 -4.252 1.00 53.23 C ATOM 1080 O GLN A 77 -1.024 5.300 -3.847 1.00 61.11 O ATOM 1081 CB GLN A 77 -0.405 2.198 -5.265 1.00 2.34 C ATOM 1082 CG GLN A 77 0.592 3.021 -6.080 1.00 53.44 C ATOM 1083 CD GLN A 77 1.138 2.260 -7.277 1.00 0.12 C ATOM 1084 OE1 GLN A 77 1.198 1.039 -7.322 1.00 4.43 O ATOM 1085 NE2 GLN A 77 1.566 2.974 -8.292 1.00 21.21 N ATOM 0 H GLN A 77 -1.880 1.257 -3.553 1.00 43.41 H new ATOM 0 HA GLN A 77 0.199 3.185 -3.496 1.00 22.02 H new ATOM 0 HB2 GLN A 77 0.020 1.223 -5.027 1.00 2.34 H new ATOM 0 HB3 GLN A 77 -1.308 2.019 -5.848 1.00 2.34 H new ATOM 0 HG2 GLN A 77 0.107 3.934 -6.425 1.00 53.44 H new ATOM 0 HG3 GLN A 77 1.419 3.323 -5.438 1.00 53.44 H new ATOM 0 HE21 GLN A 77 1.517 3.992 -8.256 1.00 21.21 H new ATOM 0 HE22 GLN A 77 1.948 2.511 -9.117 1.00 21.21 H new ATOM 1092 N ASP A 78 -2.648 4.144 -4.923 1.00 64.13 N ATOM 1093 CA ASP A 78 -3.367 5.323 -5.378 1.00 64.35 C ATOM 1094 C ASP A 78 -3.777 6.182 -4.181 1.00 4.34 C ATOM 1095 O ASP A 78 -3.699 7.397 -4.279 1.00 40.11 O ATOM 1096 CB ASP A 78 -4.559 4.956 -6.290 1.00 43.52 C ATOM 1097 CG ASP A 78 -4.479 5.609 -7.682 1.00 4.32 C ATOM 1098 OD1 ASP A 78 -3.973 6.746 -7.821 1.00 55.53 O ATOM 1099 OD2 ASP A 78 -4.926 4.987 -8.673 1.00 35.41 O ATOM 0 H ASP A 78 -3.097 3.259 -5.160 1.00 64.13 H new ATOM 0 HA ASP A 78 -2.698 5.920 -5.998 1.00 64.35 H new ATOM 0 HB2 ASP A 78 -4.600 3.873 -6.405 1.00 43.52 H new ATOM 0 HB3 ASP A 78 -5.487 5.261 -5.805 1.00 43.52 H new ATOM 1103 N PHE A 79 -4.099 5.594 -3.018 1.00 51.15 N ATOM 1104 CA PHE A 79 -4.411 6.339 -1.799 1.00 72.25 C ATOM 1105 C PHE A 79 -3.245 7.242 -1.411 1.00 44.53 C ATOM 1106 O PHE A 79 -3.427 8.446 -1.221 1.00 51.53 O ATOM 1107 CB PHE A 79 -4.738 5.396 -0.626 1.00 14.53 C ATOM 1108 CG PHE A 79 -5.008 6.141 0.672 1.00 13.12 C ATOM 1109 CD1 PHE A 79 -6.300 6.624 0.954 1.00 31.30 C ATOM 1110 CD2 PHE A 79 -3.955 6.424 1.565 1.00 20.43 C ATOM 1111 CE1 PHE A 79 -6.539 7.373 2.120 1.00 52.14 C ATOM 1112 CE2 PHE A 79 -4.191 7.179 2.726 1.00 55.45 C ATOM 1113 CZ PHE A 79 -5.484 7.657 3.004 1.00 40.11 C ATOM 0 H PHE A 79 -4.149 4.582 -2.902 1.00 51.15 H new ATOM 0 HA PHE A 79 -5.291 6.947 -2.009 1.00 72.25 H new ATOM 0 HB2 PHE A 79 -5.610 4.794 -0.882 1.00 14.53 H new ATOM 0 HB3 PHE A 79 -3.907 4.706 -0.478 1.00 14.53 H new ATOM 0 HD1 PHE A 79 -7.111 6.418 0.272 1.00 31.30 H new ATOM 0 HD2 PHE A 79 -2.961 6.058 1.356 1.00 20.43 H new ATOM 0 HE1 PHE A 79 -7.535 7.731 2.336 1.00 52.14 H new ATOM 0 HE2 PHE A 79 -3.379 7.392 3.405 1.00 55.45 H new ATOM 0 HZ PHE A 79 -5.666 8.241 3.894 1.00 40.11 H new ATOM 1122 N TYR A 80 -2.047 6.668 -1.266 1.00 3.14 N ATOM 1123 CA TYR A 80 -0.898 7.464 -0.878 1.00 12.42 C ATOM 1124 C TYR A 80 -0.571 8.472 -1.977 1.00 14.51 C ATOM 1125 O TYR A 80 -0.212 9.606 -1.671 1.00 11.14 O ATOM 1126 CB TYR A 80 0.305 6.581 -0.533 1.00 12.21 C ATOM 1127 CG TYR A 80 0.224 5.845 0.790 1.00 2.21 C ATOM 1128 CD1 TYR A 80 -0.228 6.486 1.958 1.00 33.30 C ATOM 1129 CD2 TYR A 80 0.596 4.494 0.843 1.00 20.40 C ATOM 1130 CE1 TYR A 80 -0.394 5.762 3.151 1.00 60.32 C ATOM 1131 CE2 TYR A 80 0.379 3.743 2.008 1.00 21.04 C ATOM 1132 CZ TYR A 80 -0.126 4.376 3.168 1.00 75.21 C ATOM 1133 OH TYR A 80 -0.299 3.670 4.318 1.00 11.21 O ATOM 0 H TYR A 80 -1.857 5.676 -1.410 1.00 3.14 H new ATOM 0 HA TYR A 80 -1.145 8.017 0.028 1.00 12.42 H new ATOM 0 HB2 TYR A 80 0.433 5.847 -1.329 1.00 12.21 H new ATOM 0 HB3 TYR A 80 1.199 7.204 -0.527 1.00 12.21 H new ATOM 0 HD1 TYR A 80 -0.449 7.543 1.938 1.00 33.30 H new ATOM 0 HD2 TYR A 80 1.052 4.029 -0.018 1.00 20.40 H new ATOM 0 HE1 TYR A 80 -0.724 6.263 4.049 1.00 60.32 H new ATOM 0 HE2 TYR A 80 0.597 2.685 2.019 1.00 21.04 H new ATOM 0 HH TYR A 80 -1.113 3.128 4.250 1.00 11.21 H new ATOM 1142 N GLU A 81 -0.698 8.097 -3.250 1.00 63.01 N ATOM 1143 CA GLU A 81 -0.506 9.015 -4.366 1.00 71.22 C ATOM 1144 C GLU A 81 -1.531 10.161 -4.341 1.00 11.40 C ATOM 1145 O GLU A 81 -1.182 11.275 -4.737 1.00 44.13 O ATOM 1146 CB GLU A 81 -0.515 8.253 -5.704 1.00 62.34 C ATOM 1147 CG GLU A 81 0.738 7.371 -5.879 1.00 51.45 C ATOM 1148 CD GLU A 81 1.067 6.974 -7.330 1.00 71.12 C ATOM 1149 OE1 GLU A 81 0.982 7.858 -8.221 1.00 54.03 O ATOM 1150 OE2 GLU A 81 1.551 5.841 -7.565 1.00 51.23 O ATOM 0 H GLU A 81 -0.937 7.147 -3.534 1.00 63.01 H new ATOM 0 HA GLU A 81 0.475 9.478 -4.260 1.00 71.22 H new ATOM 0 HB2 GLU A 81 -1.407 7.629 -5.759 1.00 62.34 H new ATOM 0 HB3 GLU A 81 -0.573 8.966 -6.526 1.00 62.34 H new ATOM 0 HG2 GLU A 81 1.595 7.899 -5.461 1.00 51.45 H new ATOM 0 HG3 GLU A 81 0.607 6.462 -5.292 1.00 51.45 H new ATOM 1155 N GLN A 82 -2.748 9.941 -3.836 1.00 3.11 N ATOM 1156 CA GLN A 82 -3.771 10.964 -3.699 1.00 52.52 C ATOM 1157 C GLN A 82 -3.375 11.996 -2.637 1.00 44.44 C ATOM 1158 O GLN A 82 -3.611 13.189 -2.853 1.00 40.51 O ATOM 1159 CB GLN A 82 -5.146 10.345 -3.360 1.00 55.14 C ATOM 1160 CG GLN A 82 -6.099 10.165 -4.552 1.00 22.33 C ATOM 1161 CD GLN A 82 -6.109 8.770 -5.177 1.00 13.22 C ATOM 1162 OE1 GLN A 82 -6.737 7.845 -4.657 1.00 11.50 O ATOM 1163 NE2 GLN A 82 -5.506 8.619 -6.340 1.00 73.34 N ATOM 0 H GLN A 82 -3.049 9.024 -3.506 1.00 3.11 H new ATOM 0 HA GLN A 82 -3.856 11.471 -4.660 1.00 52.52 H new ATOM 0 HB2 GLN A 82 -4.983 9.372 -2.896 1.00 55.14 H new ATOM 0 HB3 GLN A 82 -5.636 10.974 -2.617 1.00 55.14 H new ATOM 0 HG2 GLN A 82 -7.111 10.406 -4.226 1.00 22.33 H new ATOM 0 HG3 GLN A 82 -5.831 10.888 -5.322 1.00 22.33 H new ATOM 0 HE21 GLN A 82 -4.992 9.397 -6.753 1.00 73.34 H new ATOM 0 HE22 GLN A 82 -5.554 7.724 -6.827 1.00 73.34 H new ATOM 1170 N GLU A 83 -2.810 11.588 -1.492 1.00 64.35 N ATOM 1171 CA GLU A 83 -2.551 12.520 -0.400 1.00 11.33 C ATOM 1172 C GLU A 83 -1.354 13.422 -0.717 1.00 0.33 C ATOM 1173 O GLU A 83 -1.270 14.525 -0.176 1.00 72.42 O ATOM 1174 CB GLU A 83 -2.470 11.845 0.983 1.00 32.03 C ATOM 1175 CG GLU A 83 -1.371 10.800 1.176 1.00 15.40 C ATOM 1176 CD GLU A 83 -1.201 10.388 2.646 1.00 41.23 C ATOM 1177 OE1 GLU A 83 -0.514 11.100 3.427 1.00 63.32 O ATOM 1178 OE2 GLU A 83 -1.650 9.282 3.024 1.00 55.55 O ATOM 0 H GLU A 83 -2.528 10.626 -1.304 1.00 64.35 H new ATOM 0 HA GLU A 83 -3.423 13.169 -0.323 1.00 11.33 H new ATOM 0 HB2 GLU A 83 -2.334 12.624 1.734 1.00 32.03 H new ATOM 0 HB3 GLU A 83 -3.430 11.370 1.186 1.00 32.03 H new ATOM 0 HG2 GLU A 83 -1.604 9.918 0.580 1.00 15.40 H new ATOM 0 HG3 GLU A 83 -0.427 11.197 0.802 1.00 15.40 H new ATOM 1183 N GLN A 84 -0.491 13.036 -1.666 1.00 74.34 N ATOM 1184 CA GLN A 84 0.583 13.897 -2.131 1.00 61.44 C ATOM 1185 C GLN A 84 0.082 15.244 -2.663 1.00 63.24 C ATOM 1186 O GLN A 84 0.792 16.241 -2.559 1.00 63.22 O ATOM 1187 CB GLN A 84 1.392 13.183 -3.228 1.00 1.34 C ATOM 1188 CG GLN A 84 2.743 12.685 -2.722 1.00 13.42 C ATOM 1189 CD GLN A 84 2.604 11.593 -1.684 1.00 34.03 C ATOM 1190 OE1 GLN A 84 2.724 11.814 -0.489 1.00 15.30 O ATOM 1191 NE2 GLN A 84 2.353 10.380 -2.137 1.00 4.30 N ATOM 0 H GLN A 84 -0.524 12.125 -2.124 1.00 74.34 H new ATOM 0 HA GLN A 84 1.214 14.104 -1.267 1.00 61.44 H new ATOM 0 HB2 GLN A 84 0.816 12.340 -3.610 1.00 1.34 H new ATOM 0 HB3 GLN A 84 1.549 13.866 -4.063 1.00 1.34 H new ATOM 0 HG2 GLN A 84 3.327 12.311 -3.563 1.00 13.42 H new ATOM 0 HG3 GLN A 84 3.298 13.520 -2.295 1.00 13.42 H new ATOM 0 HE21 GLN A 84 2.257 10.220 -3.140 1.00 4.30 H new ATOM 0 HE22 GLN A 84 2.255 9.602 -1.485 1.00 4.30 H new ATOM 1198 N GLN A 85 -1.110 15.274 -3.264 1.00 15.24 N ATOM 1199 CA GLN A 85 -1.638 16.492 -3.868 1.00 1.31 C ATOM 1200 C GLN A 85 -1.999 17.528 -2.808 1.00 55.54 C ATOM 1201 O GLN A 85 -1.689 18.715 -2.947 1.00 70.32 O ATOM 1202 CB GLN A 85 -2.901 16.199 -4.665 1.00 32.22 C ATOM 1203 CG GLN A 85 -2.747 15.179 -5.793 1.00 4.42 C ATOM 1204 CD GLN A 85 -4.033 15.244 -6.595 1.00 14.54 C ATOM 1205 OE1 GLN A 85 -4.159 16.066 -7.498 1.00 12.43 O ATOM 1206 NE2 GLN A 85 -5.049 14.504 -6.185 1.00 31.11 N ATOM 0 H GLN A 85 -1.726 14.465 -3.344 1.00 15.24 H new ATOM 0 HA GLN A 85 -0.854 16.880 -4.519 1.00 1.31 H new ATOM 0 HB2 GLN A 85 -3.668 15.842 -3.978 1.00 32.22 H new ATOM 0 HB3 GLN A 85 -3.265 17.134 -5.091 1.00 32.22 H new ATOM 0 HG2 GLN A 85 -1.885 15.415 -6.418 1.00 4.42 H new ATOM 0 HG3 GLN A 85 -2.586 14.177 -5.394 1.00 4.42 H new ATOM 0 HE21 GLN A 85 -4.917 13.828 -5.432 1.00 31.11 H new ATOM 0 HE22 GLN A 85 -5.965 14.609 -6.621 1.00 31.11 H new ATOM 1213 N ARG A 86 -2.763 17.097 -1.800 1.00 32.11 N ATOM 1214 CA ARG A 86 -3.240 17.965 -0.724 1.00 12.32 C ATOM 1215 C ARG A 86 -2.055 18.489 0.078 1.00 13.21 C ATOM 1216 O ARG A 86 -1.936 19.702 0.236 1.00 32.43 O ATOM 1217 CB ARG A 86 -4.304 17.279 0.157 1.00 60.32 C ATOM 1218 CG ARG A 86 -3.896 15.890 0.661 1.00 14.34 C ATOM 1219 CD ARG A 86 -4.962 15.172 1.480 1.00 62.11 C ATOM 1220 NE ARG A 86 -5.990 14.564 0.624 1.00 42.32 N ATOM 1221 CZ ARG A 86 -6.964 13.756 1.040 1.00 54.53 C ATOM 1222 NH1 ARG A 86 -7.014 13.332 2.296 1.00 15.24 N ATOM 1223 NH2 ARG A 86 -7.887 13.364 0.173 1.00 41.51 N ATOM 0 H ARG A 86 -3.069 16.128 -1.709 1.00 32.11 H new ATOM 0 HA ARG A 86 -3.749 18.820 -1.169 1.00 12.32 H new ATOM 0 HB2 ARG A 86 -4.517 17.917 1.015 1.00 60.32 H new ATOM 0 HB3 ARG A 86 -5.230 17.190 -0.412 1.00 60.32 H new ATOM 0 HG2 ARG A 86 -3.636 15.269 -0.196 1.00 14.34 H new ATOM 0 HG3 ARG A 86 -2.996 15.988 1.268 1.00 14.34 H new ATOM 0 HD2 ARG A 86 -4.493 14.400 2.090 1.00 62.11 H new ATOM 0 HD3 ARG A 86 -5.431 15.878 2.165 1.00 62.11 H new ATOM 0 HE ARG A 86 -5.955 14.779 -0.373 1.00 42.32 H new ATOM 0 HH11 ARG A 86 -6.299 13.624 2.962 1.00 15.24 H new ATOM 0 HH12 ARG A 86 -7.768 12.714 2.596 1.00 15.24 H new ATOM 0 HH21 ARG A 86 -7.844 13.681 -0.796 1.00 41.51 H new ATOM 0 HH22 ARG A 86 -8.640 12.745 0.474 1.00 41.51 H new ATOM 1234 N ASN A 87 -1.177 17.601 0.549 1.00 62.22 N ATOM 1235 CA ASN A 87 -0.039 17.939 1.388 1.00 51.14 C ATOM 1236 C ASN A 87 1.209 17.376 0.740 1.00 2.31 C ATOM 1237 O ASN A 87 1.547 16.207 0.942 1.00 40.54 O ATOM 1238 CB ASN A 87 -0.171 17.495 2.861 1.00 14.12 C ATOM 1239 CG ASN A 87 -1.036 16.276 3.140 1.00 44.51 C ATOM 1240 OD1 ASN A 87 -2.110 16.383 3.733 1.00 42.45 O ATOM 1241 ND2 ASN A 87 -0.610 15.106 2.713 1.00 20.00 N ATOM 0 H ASN A 87 -1.245 16.603 0.349 1.00 62.22 H new ATOM 0 HA ASN A 87 0.015 19.026 1.450 1.00 51.14 H new ATOM 0 HB2 ASN A 87 0.829 17.296 3.246 1.00 14.12 H new ATOM 0 HB3 ASN A 87 -0.571 18.332 3.433 1.00 14.12 H new ATOM 0 HD21 ASN A 87 -1.172 14.270 2.872 1.00 20.00 H new ATOM 0 HD22 ASN A 87 0.282 15.036 2.224 1.00 20.00 H new ATOM 1247 N GLU A 88 1.905 18.229 -0.010 1.00 62.23 N ATOM 1248 CA GLU A 88 3.192 17.908 -0.612 1.00 52.12 C ATOM 1249 C GLU A 88 4.237 17.565 0.453 1.00 32.42 C ATOM 1250 O GLU A 88 5.140 16.767 0.202 1.00 20.31 O ATOM 1251 CB GLU A 88 3.656 19.073 -1.495 1.00 42.31 C ATOM 1252 CG GLU A 88 4.032 20.387 -0.778 1.00 44.25 C ATOM 1253 CD GLU A 88 5.545 20.643 -0.712 1.00 51.24 C ATOM 1254 OE1 GLU A 88 6.271 19.872 -0.037 1.00 1.14 O ATOM 1255 OE2 GLU A 88 5.983 21.647 -1.311 1.00 54.32 O ATOM 0 H GLU A 88 1.584 19.175 -0.218 1.00 62.23 H new ATOM 0 HA GLU A 88 3.073 17.023 -1.236 1.00 52.12 H new ATOM 0 HB2 GLU A 88 4.521 18.740 -2.068 1.00 42.31 H new ATOM 0 HB3 GLU A 88 2.864 19.292 -2.211 1.00 42.31 H new ATOM 0 HG2 GLU A 88 3.553 21.221 -1.292 1.00 44.25 H new ATOM 0 HG3 GLU A 88 3.632 20.365 0.236 1.00 44.25 H new ATOM 1260 N ASN A 89 4.087 18.094 1.673 1.00 32.03 N ATOM 1261 CA ASN A 89 5.070 17.943 2.747 1.00 13.30 C ATOM 1262 C ASN A 89 5.111 16.519 3.328 1.00 12.33 C ATOM 1263 O ASN A 89 5.774 16.312 4.344 1.00 3.31 O ATOM 1264 CB ASN A 89 4.801 18.953 3.883 1.00 74.22 C ATOM 1265 CG ASN A 89 4.855 20.432 3.511 1.00 43.42 C ATOM 1266 OD1 ASN A 89 4.346 21.268 4.249 1.00 25.10 O ATOM 1267 ND2 ASN A 89 5.500 20.845 2.434 1.00 72.22 N ATOM 0 H ASN A 89 3.271 18.644 1.943 1.00 32.03 H new ATOM 0 HA ASN A 89 6.042 18.143 2.296 1.00 13.30 H new ATOM 0 HB2 ASN A 89 3.816 18.742 4.299 1.00 74.22 H new ATOM 0 HB3 ASN A 89 5.527 18.775 4.676 1.00 74.22 H new ATOM 0 HD21 ASN A 89 5.567 21.842 2.231 1.00 72.22 H new ATOM 0 HD22 ASN A 89 5.931 20.166 1.806 1.00 72.22 H new ATOM 1273 N ASN A 90 4.409 15.546 2.732 1.00 15.33 N ATOM 1274 CA ASN A 90 4.278 14.168 3.207 1.00 75.41 C ATOM 1275 C ASN A 90 5.223 13.201 2.495 1.00 0.24 C ATOM 1276 O ASN A 90 4.826 12.564 1.521 1.00 40.14 O ATOM 1277 CB ASN A 90 2.811 13.693 3.121 1.00 32.10 C ATOM 1278 CG ASN A 90 2.115 13.812 4.466 1.00 60.05 C ATOM 1279 OD1 ASN A 90 2.403 14.706 5.255 1.00 32.44 O ATOM 1280 ND2 ASN A 90 1.224 12.896 4.788 1.00 64.25 N ATOM 0 H ASN A 90 3.895 15.709 1.866 1.00 15.33 H new ATOM 0 HA ASN A 90 4.578 14.166 4.255 1.00 75.41 H new ATOM 0 HB2 ASN A 90 2.277 14.286 2.379 1.00 32.10 H new ATOM 0 HB3 ASN A 90 2.781 12.657 2.783 1.00 32.10 H new ATOM 0 HD21 ASN A 90 0.768 12.927 5.700 1.00 64.25 H new ATOM 0 HD22 ASN A 90 0.991 12.156 4.126 1.00 64.25 H new ATOM 1286 N PRO A 91 6.477 13.035 2.942 1.00 62.45 N ATOM 1287 CA PRO A 91 7.356 12.022 2.381 1.00 41.55 C ATOM 1288 C PRO A 91 6.887 10.601 2.712 1.00 33.02 C ATOM 1289 O PRO A 91 7.229 9.688 1.966 1.00 64.13 O ATOM 1290 CB PRO A 91 8.726 12.302 3.006 1.00 42.43 C ATOM 1291 CG PRO A 91 8.356 12.875 4.371 1.00 3.10 C ATOM 1292 CD PRO A 91 7.131 13.709 4.047 1.00 33.34 C ATOM 0 HA PRO A 91 7.373 12.073 1.292 1.00 41.55 H new ATOM 0 HB2 PRO A 91 9.324 11.395 3.095 1.00 42.43 H new ATOM 0 HB3 PRO A 91 9.306 13.009 2.413 1.00 42.43 H new ATOM 0 HG2 PRO A 91 8.135 12.091 5.095 1.00 3.10 H new ATOM 0 HG3 PRO A 91 9.160 13.479 4.791 1.00 3.10 H new ATOM 0 HD2 PRO A 91 6.468 13.781 4.909 1.00 33.34 H new ATOM 0 HD3 PRO A 91 7.411 14.726 3.774 1.00 33.34 H new ATOM 1297 N THR A 92 6.134 10.374 3.801 1.00 40.44 N ATOM 1298 CA THR A 92 5.789 9.018 4.210 1.00 13.31 C ATOM 1299 C THR A 92 4.967 8.357 3.108 1.00 74.24 C ATOM 1300 O THR A 92 5.397 7.345 2.552 1.00 43.44 O ATOM 1301 CB THR A 92 5.093 9.022 5.580 1.00 63.15 C ATOM 1302 OG1 THR A 92 5.964 9.587 6.533 1.00 13.10 O ATOM 1303 CG2 THR A 92 4.752 7.604 6.061 1.00 32.44 C ATOM 0 H THR A 92 5.760 11.108 4.403 1.00 40.44 H new ATOM 0 HA THR A 92 6.691 8.421 4.343 1.00 13.31 H new ATOM 0 HB THR A 92 4.170 9.593 5.474 1.00 63.15 H new ATOM 0 HG1 THR A 92 5.528 9.595 7.410 1.00 13.10 H new ATOM 0 HG21 THR A 92 4.262 7.658 7.033 1.00 32.44 H new ATOM 0 HG22 THR A 92 4.084 7.127 5.344 1.00 32.44 H new ATOM 0 HG23 THR A 92 5.668 7.019 6.148 1.00 32.44 H new ATOM 1311 N ALA A 93 3.820 8.946 2.764 1.00 60.35 N ATOM 1312 CA ALA A 93 2.982 8.476 1.676 1.00 35.11 C ATOM 1313 C ALA A 93 3.775 8.405 0.369 1.00 14.30 C ATOM 1314 O ALA A 93 3.688 7.399 -0.333 1.00 62.23 O ATOM 1315 CB ALA A 93 1.772 9.399 1.582 1.00 23.43 C ATOM 0 H ALA A 93 3.450 9.768 3.241 1.00 60.35 H new ATOM 0 HA ALA A 93 2.635 7.461 1.867 1.00 35.11 H new ATOM 0 HB1 ALA A 93 1.124 9.068 0.770 1.00 23.43 H new ATOM 0 HB2 ALA A 93 1.220 9.372 2.521 1.00 23.43 H new ATOM 0 HB3 ALA A 93 2.106 10.418 1.387 1.00 23.43 H new ATOM 1321 N LYS A 94 4.590 9.423 0.073 1.00 4.42 N ATOM 1322 CA LYS A 94 5.397 9.497 -1.142 1.00 43.51 C ATOM 1323 C LYS A 94 6.204 8.219 -1.366 1.00 54.43 C ATOM 1324 O LYS A 94 6.045 7.586 -2.413 1.00 60.04 O ATOM 1325 CB LYS A 94 6.224 10.796 -1.119 1.00 13.30 C ATOM 1326 CG LYS A 94 6.805 11.159 -2.489 1.00 3.54 C ATOM 1327 CD LYS A 94 7.040 12.667 -2.688 1.00 22.43 C ATOM 1328 CE LYS A 94 7.856 13.344 -1.572 1.00 72.42 C ATOM 1329 NZ LYS A 94 8.137 14.770 -1.864 1.00 24.32 N ATOM 0 H LYS A 94 4.707 10.231 0.684 1.00 4.42 H new ATOM 0 HA LYS A 94 4.754 9.552 -2.020 1.00 43.51 H new ATOM 0 HB2 LYS A 94 5.595 11.614 -0.769 1.00 13.30 H new ATOM 0 HB3 LYS A 94 7.038 10.690 -0.402 1.00 13.30 H new ATOM 0 HG2 LYS A 94 7.751 10.633 -2.622 1.00 3.54 H new ATOM 0 HG3 LYS A 94 6.129 10.801 -3.266 1.00 3.54 H new ATOM 0 HD2 LYS A 94 7.553 12.819 -3.638 1.00 22.43 H new ATOM 0 HD3 LYS A 94 6.073 13.164 -2.765 1.00 22.43 H new ATOM 0 HE2 LYS A 94 7.311 13.269 -0.631 1.00 72.42 H new ATOM 0 HE3 LYS A 94 8.797 12.811 -1.439 1.00 72.42 H new ATOM 0 HZ1 LYS A 94 8.688 15.182 -1.084 1.00 24.32 H new ATOM 0 HZ2 LYS A 94 8.680 14.843 -2.748 1.00 24.32 H new ATOM 0 HZ3 LYS A 94 7.240 15.287 -1.965 1.00 24.32 H new ATOM 1339 N TYR A 95 7.026 7.804 -0.399 1.00 14.24 N ATOM 1340 CA TYR A 95 7.781 6.561 -0.529 1.00 40.45 C ATOM 1341 C TYR A 95 6.849 5.336 -0.522 1.00 64.31 C ATOM 1342 O TYR A 95 7.066 4.434 -1.328 1.00 71.03 O ATOM 1343 CB TYR A 95 8.859 6.449 0.562 1.00 62.35 C ATOM 1344 CG TYR A 95 9.959 7.500 0.541 1.00 14.44 C ATOM 1345 CD1 TYR A 95 10.937 7.514 -0.474 1.00 12.40 C ATOM 1346 CD2 TYR A 95 10.022 8.461 1.566 1.00 15.14 C ATOM 1347 CE1 TYR A 95 11.934 8.508 -0.491 1.00 63.25 C ATOM 1348 CE2 TYR A 95 10.997 9.470 1.544 1.00 44.34 C ATOM 1349 CZ TYR A 95 11.940 9.514 0.500 1.00 62.41 C ATOM 1350 OH TYR A 95 12.835 10.537 0.468 1.00 54.25 O ATOM 0 H TYR A 95 7.183 8.307 0.474 1.00 14.24 H new ATOM 0 HA TYR A 95 8.288 6.582 -1.494 1.00 40.45 H new ATOM 0 HB2 TYR A 95 8.366 6.490 1.534 1.00 62.35 H new ATOM 0 HB3 TYR A 95 9.324 5.467 0.482 1.00 62.35 H new ATOM 0 HD1 TYR A 95 10.921 6.757 -1.244 1.00 12.40 H new ATOM 0 HD2 TYR A 95 9.312 8.422 2.379 1.00 15.14 H new ATOM 0 HE1 TYR A 95 12.692 8.501 -1.260 1.00 63.25 H new ATOM 0 HE2 TYR A 95 11.024 10.212 2.328 1.00 44.34 H new ATOM 0 HH TYR A 95 12.682 11.130 1.233 1.00 54.25 H new ATOM 1359 N ARG A 96 5.822 5.255 0.342 1.00 72.04 N ATOM 1360 CA ARG A 96 4.925 4.085 0.406 1.00 24.00 C ATOM 1361 C ARG A 96 4.282 3.782 -0.950 1.00 74.25 C ATOM 1362 O ARG A 96 4.340 2.639 -1.405 1.00 1.43 O ATOM 1363 CB ARG A 96 3.822 4.272 1.463 1.00 22.14 C ATOM 1364 CG ARG A 96 4.324 4.213 2.906 1.00 74.04 C ATOM 1365 CD ARG A 96 3.209 4.227 3.960 1.00 43.41 C ATOM 1366 NE ARG A 96 3.689 3.761 5.275 1.00 4.32 N ATOM 1367 CZ ARG A 96 2.959 3.691 6.399 1.00 4.13 C ATOM 1368 NH1 ARG A 96 1.700 4.107 6.430 1.00 34.24 N ATOM 1369 NH2 ARG A 96 3.489 3.187 7.512 1.00 15.52 N ATOM 0 H ARG A 96 5.591 5.990 1.010 1.00 72.04 H new ATOM 0 HA ARG A 96 5.550 3.239 0.692 1.00 24.00 H new ATOM 0 HB2 ARG A 96 3.335 5.233 1.298 1.00 22.14 H new ATOM 0 HB3 ARG A 96 3.064 3.502 1.322 1.00 22.14 H new ATOM 0 HG2 ARG A 96 4.920 3.309 3.035 1.00 74.04 H new ATOM 0 HG3 ARG A 96 4.987 5.060 3.083 1.00 74.04 H new ATOM 0 HD2 ARG A 96 2.813 5.238 4.056 1.00 43.41 H new ATOM 0 HD3 ARG A 96 2.387 3.592 3.628 1.00 43.41 H new ATOM 0 HE ARG A 96 4.663 3.465 5.335 1.00 4.32 H new ATOM 0 HH11 ARG A 96 1.268 4.489 5.589 1.00 34.24 H new ATOM 0 HH12 ARG A 96 1.163 4.045 7.295 1.00 34.24 H new ATOM 0 HH21 ARG A 96 4.453 2.853 7.512 1.00 15.52 H new ATOM 0 HH22 ARG A 96 2.931 3.135 8.364 1.00 15.52 H new ATOM 1380 N ALA A 97 3.681 4.784 -1.596 1.00 14.44 N ATOM 1381 CA ALA A 97 3.072 4.653 -2.915 1.00 1.52 C ATOM 1382 C ALA A 97 4.104 4.151 -3.916 1.00 13.10 C ATOM 1383 O ALA A 97 3.881 3.184 -4.640 1.00 53.15 O ATOM 1384 CB ALA A 97 2.555 6.017 -3.381 1.00 15.44 C ATOM 0 H ALA A 97 3.604 5.724 -1.208 1.00 14.44 H new ATOM 0 HA ALA A 97 2.247 3.944 -2.852 1.00 1.52 H new ATOM 0 HB1 ALA A 97 2.101 5.916 -4.367 1.00 15.44 H new ATOM 0 HB2 ALA A 97 1.811 6.385 -2.674 1.00 15.44 H new ATOM 0 HB3 ALA A 97 3.385 6.722 -3.434 1.00 15.44 H new ATOM 1390 N ARG A 98 5.254 4.820 -3.965 1.00 13.21 N ATOM 1391 CA ARG A 98 6.306 4.474 -4.906 1.00 73.12 C ATOM 1392 C ARG A 98 6.766 3.023 -4.729 1.00 74.12 C ATOM 1393 O ARG A 98 7.061 2.354 -5.719 1.00 0.11 O ATOM 1394 CB ARG A 98 7.435 5.494 -4.747 1.00 31.23 C ATOM 1395 CG ARG A 98 7.102 6.802 -5.470 1.00 1.03 C ATOM 1396 CD ARG A 98 8.130 7.879 -5.121 1.00 43.42 C ATOM 1397 NE ARG A 98 8.219 8.874 -6.196 1.00 51.04 N ATOM 1398 CZ ARG A 98 9.120 8.888 -7.186 1.00 61.43 C ATOM 1399 NH1 ARG A 98 10.065 7.955 -7.292 1.00 23.32 N ATOM 1400 NH2 ARG A 98 9.082 9.860 -8.083 1.00 34.11 N ATOM 0 H ARG A 98 5.477 5.609 -3.358 1.00 13.21 H new ATOM 0 HA ARG A 98 5.935 4.524 -5.930 1.00 73.12 H new ATOM 0 HB2 ARG A 98 7.603 5.693 -3.689 1.00 31.23 H new ATOM 0 HB3 ARG A 98 8.362 5.081 -5.145 1.00 31.23 H new ATOM 0 HG2 ARG A 98 7.090 6.637 -6.547 1.00 1.03 H new ATOM 0 HG3 ARG A 98 6.104 7.137 -5.188 1.00 1.03 H new ATOM 0 HD2 ARG A 98 7.850 8.368 -4.188 1.00 43.42 H new ATOM 0 HD3 ARG A 98 9.106 7.420 -4.961 1.00 43.42 H new ATOM 0 HE ARG A 98 7.529 9.626 -6.188 1.00 51.04 H new ATOM 0 HH11 ARG A 98 10.117 7.201 -6.607 1.00 23.32 H new ATOM 0 HH12 ARG A 98 10.737 7.994 -8.059 1.00 23.32 H new ATOM 0 HH21 ARG A 98 8.371 10.588 -8.016 1.00 34.11 H new ATOM 0 HH22 ARG A 98 9.763 9.881 -8.842 1.00 34.11 H new ATOM 1411 N LEU A 99 6.777 2.513 -3.495 1.00 60.55 N ATOM 1412 CA LEU A 99 7.091 1.118 -3.196 1.00 14.34 C ATOM 1413 C LEU A 99 6.090 0.181 -3.871 1.00 33.14 C ATOM 1414 O LEU A 99 6.505 -0.741 -4.571 1.00 42.43 O ATOM 1415 CB LEU A 99 7.170 0.921 -1.672 1.00 13.40 C ATOM 1416 CG LEU A 99 8.303 -0.033 -1.261 1.00 74.33 C ATOM 1417 CD1 LEU A 99 8.610 0.157 0.230 1.00 55.34 C ATOM 1418 CD2 LEU A 99 8.013 -1.482 -1.548 1.00 42.52 C ATOM 0 H LEU A 99 6.565 3.067 -2.665 1.00 60.55 H new ATOM 0 HA LEU A 99 8.068 0.863 -3.607 1.00 14.34 H new ATOM 0 HB2 LEU A 99 7.320 1.888 -1.191 1.00 13.40 H new ATOM 0 HB3 LEU A 99 6.220 0.529 -1.310 1.00 13.40 H new ATOM 0 HG LEU A 99 9.169 0.226 -1.871 1.00 74.33 H new ATOM 0 HD11 LEU A 99 9.413 -0.518 0.525 1.00 55.34 H new ATOM 0 HD12 LEU A 99 8.917 1.187 0.410 1.00 55.34 H new ATOM 0 HD13 LEU A 99 7.718 -0.063 0.816 1.00 55.34 H new ATOM 0 HD21 LEU A 99 8.859 -2.092 -1.230 1.00 42.52 H new ATOM 0 HD22 LEU A 99 7.120 -1.789 -1.004 1.00 42.52 H new ATOM 0 HD23 LEU A 99 7.851 -1.616 -2.618 1.00 42.52 H new ATOM 1429 N MET A 100 4.788 0.443 -3.703 1.00 20.40 N ATOM 1430 CA MET A 100 3.717 -0.320 -4.346 1.00 35.31 C ATOM 1431 C MET A 100 3.946 -0.402 -5.859 1.00 31.21 C ATOM 1432 O MET A 100 3.921 -1.497 -6.417 1.00 11.33 O ATOM 1433 CB MET A 100 2.342 0.305 -4.065 1.00 43.55 C ATOM 1434 CG MET A 100 1.890 0.335 -2.598 1.00 61.05 C ATOM 1435 SD MET A 100 0.544 -0.816 -2.233 1.00 52.45 S ATOM 1436 CE MET A 100 0.899 -1.379 -0.554 1.00 61.11 C ATOM 0 H MET A 100 4.447 1.200 -3.110 1.00 20.40 H new ATOM 0 HA MET A 100 3.733 -1.326 -3.926 1.00 35.31 H new ATOM 0 HB2 MET A 100 2.349 1.328 -4.441 1.00 43.55 H new ATOM 0 HB3 MET A 100 1.595 -0.241 -4.641 1.00 43.55 H new ATOM 0 HG2 MET A 100 2.741 0.100 -1.959 1.00 61.05 H new ATOM 0 HG3 MET A 100 1.571 1.346 -2.345 1.00 61.05 H new ATOM 0 HE1 MET A 100 0.133 -2.087 -0.238 1.00 61.11 H new ATOM 0 HE2 MET A 100 1.874 -1.866 -0.532 1.00 61.11 H new ATOM 0 HE3 MET A 100 0.905 -0.525 0.123 1.00 61.11 H new ATOM 1444 N LYS A 101 4.248 0.733 -6.505 1.00 22.32 N ATOM 1445 CA LYS A 101 4.437 0.807 -7.955 1.00 72.55 C ATOM 1446 C LYS A 101 5.457 -0.215 -8.453 1.00 32.43 C ATOM 1447 O LYS A 101 5.218 -0.914 -9.433 1.00 72.41 O ATOM 1448 CB LYS A 101 4.818 2.233 -8.372 1.00 72.43 C ATOM 1449 CG LYS A 101 4.615 2.363 -9.888 1.00 73.51 C ATOM 1450 CD LYS A 101 4.193 3.760 -10.332 1.00 20.20 C ATOM 1451 CE LYS A 101 5.336 4.769 -10.217 1.00 52.45 C ATOM 1452 NZ LYS A 101 4.941 5.920 -9.389 1.00 20.43 N ATOM 0 H LYS A 101 4.368 1.628 -6.031 1.00 22.32 H new ATOM 0 HA LYS A 101 3.488 0.554 -8.428 1.00 72.55 H new ATOM 0 HB2 LYS A 101 4.202 2.960 -7.843 1.00 72.43 H new ATOM 0 HB3 LYS A 101 5.855 2.441 -8.109 1.00 72.43 H new ATOM 0 HG2 LYS A 101 5.542 2.095 -10.394 1.00 73.51 H new ATOM 0 HG3 LYS A 101 3.859 1.646 -10.207 1.00 73.51 H new ATOM 0 HD2 LYS A 101 3.846 3.722 -11.364 1.00 20.20 H new ATOM 0 HD3 LYS A 101 3.352 4.095 -9.725 1.00 20.20 H new ATOM 0 HE2 LYS A 101 6.210 4.286 -9.781 1.00 52.45 H new ATOM 0 HE3 LYS A 101 5.624 5.113 -11.210 1.00 52.45 H new ATOM 0 HZ1 LYS A 101 5.733 6.591 -9.326 1.00 20.43 H new ATOM 0 HZ2 LYS A 101 4.121 6.393 -9.820 1.00 20.43 H new ATOM 0 HZ3 LYS A 101 4.689 5.591 -8.435 1.00 20.43 H new ATOM 1462 N LYS A 102 6.598 -0.289 -7.771 1.00 23.33 N ATOM 1463 CA LYS A 102 7.673 -1.226 -8.096 1.00 73.53 C ATOM 1464 C LYS A 102 7.220 -2.669 -7.881 1.00 62.43 C ATOM 1465 O LYS A 102 7.449 -3.510 -8.738 1.00 33.50 O ATOM 1466 CB LYS A 102 8.913 -0.904 -7.258 1.00 21.43 C ATOM 1467 CG LYS A 102 10.190 -0.928 -8.102 1.00 61.33 C ATOM 1468 CD LYS A 102 11.320 -0.187 -7.386 1.00 22.40 C ATOM 1469 CE LYS A 102 12.653 -0.286 -8.138 1.00 35.22 C ATOM 1470 NZ LYS A 102 12.825 0.761 -9.167 1.00 40.05 N ATOM 0 H LYS A 102 6.805 0.306 -6.969 1.00 23.33 H new ATOM 0 HA LYS A 102 7.929 -1.118 -9.150 1.00 73.53 H new ATOM 0 HB2 LYS A 102 8.798 0.079 -6.801 1.00 21.43 H new ATOM 0 HB3 LYS A 102 9.000 -1.625 -6.446 1.00 21.43 H new ATOM 0 HG2 LYS A 102 10.487 -1.959 -8.293 1.00 61.33 H new ATOM 0 HG3 LYS A 102 10.001 -0.466 -9.071 1.00 61.33 H new ATOM 0 HD2 LYS A 102 11.048 0.862 -7.272 1.00 22.40 H new ATOM 0 HD3 LYS A 102 11.441 -0.596 -6.383 1.00 22.40 H new ATOM 0 HE2 LYS A 102 13.472 -0.219 -7.422 1.00 35.22 H new ATOM 0 HE3 LYS A 102 12.723 -1.265 -8.611 1.00 35.22 H new ATOM 0 HZ1 LYS A 102 13.744 0.638 -9.637 1.00 40.05 H new ATOM 0 HZ2 LYS A 102 12.063 0.685 -9.871 1.00 40.05 H new ATOM 0 HZ3 LYS A 102 12.789 1.698 -8.718 1.00 40.05 H new ATOM 1480 N ILE A 103 6.579 -2.972 -6.753 1.00 33.50 N ATOM 1481 CA ILE A 103 6.050 -4.310 -6.482 1.00 20.31 C ATOM 1482 C ILE A 103 5.114 -4.745 -7.624 1.00 14.40 C ATOM 1483 O ILE A 103 5.251 -5.863 -8.118 1.00 14.44 O ATOM 1484 CB ILE A 103 5.413 -4.305 -5.074 1.00 63.41 C ATOM 1485 CG1 ILE A 103 6.536 -4.223 -4.018 1.00 1.30 C ATOM 1486 CG2 ILE A 103 4.560 -5.544 -4.781 1.00 55.04 C ATOM 1487 CD1 ILE A 103 6.055 -3.696 -2.670 1.00 32.20 C ATOM 0 H ILE A 103 6.412 -2.301 -6.003 1.00 33.50 H new ATOM 0 HA ILE A 103 6.835 -5.066 -6.463 1.00 20.31 H new ATOM 0 HB ILE A 103 4.749 -3.441 -5.033 1.00 63.41 H new ATOM 0 HG12 ILE A 103 6.969 -5.214 -3.880 1.00 1.30 H new ATOM 0 HG13 ILE A 103 7.330 -3.577 -4.391 1.00 1.30 H new ATOM 0 HG21 ILE A 103 4.146 -5.471 -3.776 1.00 55.04 H new ATOM 0 HG22 ILE A 103 3.747 -5.606 -5.505 1.00 55.04 H new ATOM 0 HG23 ILE A 103 5.180 -6.438 -4.854 1.00 55.04 H new ATOM 0 HD11 ILE A 103 6.892 -3.663 -1.973 1.00 32.20 H new ATOM 0 HD12 ILE A 103 5.648 -2.693 -2.796 1.00 32.20 H new ATOM 0 HD13 ILE A 103 5.281 -4.355 -2.277 1.00 32.20 H new ATOM 1498 N ALA A 104 4.211 -3.877 -8.088 1.00 34.43 N ATOM 1499 CA ALA A 104 3.284 -4.212 -9.166 1.00 52.31 C ATOM 1500 C ALA A 104 3.977 -4.393 -10.524 1.00 55.41 C ATOM 1501 O ALA A 104 3.476 -5.118 -11.381 1.00 2.34 O ATOM 1502 CB ALA A 104 2.203 -3.134 -9.235 1.00 75.35 C ATOM 0 H ALA A 104 4.104 -2.929 -7.728 1.00 34.43 H new ATOM 0 HA ALA A 104 2.836 -5.179 -8.939 1.00 52.31 H new ATOM 0 HB1 ALA A 104 1.503 -3.371 -10.036 1.00 75.35 H new ATOM 0 HB2 ALA A 104 1.668 -3.094 -8.286 1.00 75.35 H new ATOM 0 HB3 ALA A 104 2.666 -2.167 -9.432 1.00 75.35 H new ATOM 1508 N ASP A 105 5.148 -3.783 -10.704 1.00 33.54 N ATOM 1509 CA ASP A 105 5.964 -3.880 -11.925 1.00 1.40 C ATOM 1510 C ASP A 105 6.615 -5.260 -12.047 1.00 20.44 C ATOM 1511 O ASP A 105 6.965 -5.714 -13.134 1.00 0.10 O ATOM 1512 CB ASP A 105 7.040 -2.779 -11.921 1.00 15.42 C ATOM 1513 CG ASP A 105 7.886 -2.730 -13.202 1.00 33.51 C ATOM 1514 OD1 ASP A 105 7.434 -2.126 -14.206 1.00 42.21 O ATOM 1515 OD2 ASP A 105 9.075 -3.116 -13.135 1.00 20.10 O ATOM 0 H ASP A 105 5.571 -3.191 -9.989 1.00 33.54 H new ATOM 0 HA ASP A 105 5.311 -3.742 -12.787 1.00 1.40 H new ATOM 0 HB2 ASP A 105 6.556 -1.813 -11.780 1.00 15.42 H new ATOM 0 HB3 ASP A 105 7.700 -2.933 -11.067 1.00 15.42 H new ATOM 1519 N LEU A 106 6.743 -5.956 -10.919 1.00 62.41 N ATOM 1520 CA LEU A 106 7.457 -7.218 -10.784 1.00 24.11 C ATOM 1521 C LEU A 106 6.495 -8.396 -10.619 1.00 32.43 C ATOM 1522 O LEU A 106 6.947 -9.521 -10.372 1.00 15.42 O ATOM 1523 CB LEU A 106 8.416 -7.095 -9.590 1.00 0.20 C ATOM 1524 CG LEU A 106 9.480 -5.985 -9.694 1.00 33.22 C ATOM 1525 CD1 LEU A 106 10.016 -5.639 -8.300 1.00 72.33 C ATOM 1526 CD2 LEU A 106 10.641 -6.440 -10.580 1.00 44.05 C ATOM 0 H LEU A 106 6.334 -5.640 -10.039 1.00 62.41 H new ATOM 0 HA LEU A 106 8.024 -7.421 -11.692 1.00 24.11 H new ATOM 0 HB2 LEU A 106 7.825 -6.922 -8.690 1.00 0.20 H new ATOM 0 HB3 LEU A 106 8.926 -8.049 -9.458 1.00 0.20 H new ATOM 0 HG LEU A 106 9.015 -5.104 -10.136 1.00 33.22 H new ATOM 0 HD11 LEU A 106 10.767 -4.854 -8.384 1.00 72.33 H new ATOM 0 HD12 LEU A 106 9.196 -5.292 -7.671 1.00 72.33 H new ATOM 0 HD13 LEU A 106 10.466 -6.525 -7.853 1.00 72.33 H new ATOM 0 HD21 LEU A 106 11.384 -5.645 -10.643 1.00 44.05 H new ATOM 0 HD22 LEU A 106 11.099 -7.331 -10.151 1.00 44.05 H new ATOM 0 HD23 LEU A 106 10.269 -6.669 -11.579 1.00 44.05 H new ATOM 1537 N TRP A 107 5.191 -8.138 -10.705 1.00 55.24 N ATOM 1538 CA TRP A 107 4.167 -9.087 -10.329 1.00 42.12 C ATOM 1539 C TRP A 107 4.098 -10.225 -11.337 1.00 1.45 C ATOM 1540 O TRP A 107 4.072 -11.394 -10.888 1.00 24.11 O ATOM 1541 CB TRP A 107 2.828 -8.357 -10.164 1.00 33.54 C ATOM 1542 CG TRP A 107 1.896 -9.003 -9.193 1.00 22.12 C ATOM 1543 CD1 TRP A 107 0.829 -9.761 -9.508 1.00 35.44 C ATOM 1544 CD2 TRP A 107 1.915 -8.931 -7.739 1.00 53.34 C ATOM 1545 NE1 TRP A 107 0.233 -10.224 -8.355 1.00 34.44 N ATOM 1546 CE2 TRP A 107 0.807 -9.671 -7.231 1.00 34.12 C ATOM 1547 CE3 TRP A 107 2.734 -8.262 -6.810 1.00 34.23 C ATOM 1548 CZ2 TRP A 107 0.485 -9.693 -5.866 1.00 23.22 C ATOM 1549 CZ3 TRP A 107 2.422 -8.289 -5.435 1.00 20.22 C ATOM 1550 CH2 TRP A 107 1.281 -8.963 -4.969 1.00 71.34 C ATOM 0 H TRP A 107 4.820 -7.250 -11.043 1.00 55.24 H new ATOM 0 HA TRP A 107 4.414 -9.540 -9.369 1.00 42.12 H new ATOM 0 HB2 TRP A 107 3.022 -7.335 -9.840 1.00 33.54 H new ATOM 0 HB3 TRP A 107 2.338 -8.296 -11.136 1.00 33.54 H new ATOM 0 HD1 TRP A 107 0.491 -9.974 -10.512 1.00 35.44 H new ATOM 0 HE1 TRP A 107 -0.537 -10.893 -8.336 1.00 34.44 H new ATOM 0 HE3 TRP A 107 3.606 -7.725 -7.152 1.00 34.23 H new ATOM 0 HZ2 TRP A 107 -0.361 -10.262 -5.511 1.00 23.22 H new ATOM 0 HZ3 TRP A 107 3.068 -7.785 -4.732 1.00 20.22 H new ATOM 0 HH2 TRP A 107 1.017 -8.920 -3.923 1.00 71.34 H new