USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 705 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 391 THR OG1 : rot -67:sc= 0.983 USER MOD Set 1.2: A 393 HIS : no HD1:sc= -1.16 K(o=-0.18,f=-0.89) USER MOD Single : A 364 SER OG : rot -12:sc= 0.925 USER MOD Single : A 365 HIS : no HE2:sc= -3.53! C(o=-3.5!,f=-3.2!) USER MOD Single : A 366 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 370 MET CE :methyl 140:sc= -0.179 (180deg=-0.895) USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 378 ASN : amide:sc= -2.69! C(o=-2.7!,f=-2.1!) USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 GLN : amide:sc= -2.12! C(o=-2.1!,f=-2.2!) USER MOD Single : A 399 GLN : amide:sc= -0.924 K(o=-0.92,f=-2!) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 403 THR OG1 : rot -56:sc= -1.91! USER MOD Single : A 405 ASN : amide:sc=-0.00103 K(o=-0.001,f=-0.72) USER MOD Single : A 412 TYR OH : rot 180:sc= -0.689 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HD1:sc= -0.272 K(o=-0.27,f=-4.2!) USER MOD Single : A 416 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.1!) USER MOD Single : A 430 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.5) USER MOD Single : A 433 SER OG : rot -4:sc= 0.897 USER MOD Single : A 435 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.84) USER MOD Single : A 443 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 454 GLN : amide:sc= -5.75! C(o=-5.7!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -11.732 -18.396 4.483 1.00 11.64 N ATOM 2 CA GLY A 363 -11.709 -18.915 3.089 1.00 11.03 C ATOM 3 C GLY A 363 -11.720 -17.805 2.058 1.00 10.23 C ATOM 4 O GLY A 363 -12.491 -17.845 1.100 1.00 10.21 O ATOM 0 HA2 GLY A 363 -10.820 -19.529 2.948 1.00 11.03 H new ATOM 0 HA3 GLY A 363 -12.572 -19.562 2.931 1.00 11.03 H new ATOM 10 N SER A 364 -10.859 -16.809 2.256 1.00 9.80 N ATOM 11 CA SER A 364 -10.769 -15.677 1.341 1.00 9.25 C ATOM 12 C SER A 364 -9.428 -14.966 1.490 1.00 8.36 C ATOM 13 O SER A 364 -9.364 -13.736 1.536 1.00 8.24 O ATOM 14 CB SER A 364 -11.913 -14.693 1.595 1.00 9.60 C ATOM 15 OG SER A 364 -13.172 -15.302 1.366 1.00 9.86 O ATOM 0 H SER A 364 -10.213 -16.764 3.044 1.00 9.80 H new ATOM 0 HA SER A 364 -10.849 -16.058 0.323 1.00 9.25 H new ATOM 0 HB2 SER A 364 -11.863 -14.330 2.622 1.00 9.60 H new ATOM 0 HB3 SER A 364 -11.802 -13.826 0.944 1.00 9.60 H new ATOM 0 HG SER A 364 -13.042 -16.161 0.912 1.00 9.86 H new ATOM 21 N HIS A 365 -8.357 -15.751 1.560 1.00 7.98 N ATOM 22 CA HIS A 365 -7.011 -15.207 1.698 1.00 7.35 C ATOM 23 C HIS A 365 -5.967 -16.304 1.502 1.00 6.30 C ATOM 24 O HIS A 365 -6.136 -17.427 1.975 1.00 6.44 O ATOM 25 CB HIS A 365 -6.836 -14.538 3.066 1.00 7.88 C ATOM 26 CG HIS A 365 -6.998 -15.470 4.228 1.00 7.65 C ATOM 27 ND1 HIS A 365 -6.141 -16.519 4.480 1.00 7.18 N ATOM 28 CD2 HIS A 365 -7.927 -15.502 5.215 1.00 8.07 C ATOM 29 CE1 HIS A 365 -6.532 -17.156 5.570 1.00 7.26 C ATOM 30 NE2 HIS A 365 -7.614 -16.558 6.034 1.00 7.79 N ATOM 0 H HIS A 365 -8.396 -16.770 1.523 1.00 7.98 H new ATOM 0 HA HIS A 365 -6.867 -14.451 0.926 1.00 7.35 H new ATOM 0 HB2 HIS A 365 -5.846 -14.085 3.113 1.00 7.88 H new ATOM 0 HB3 HIS A 365 -7.561 -13.730 3.159 1.00 7.88 H new ATOM 0 HD1 HIS A 365 -5.330 -16.766 3.913 1.00 7.18 H new ATOM 0 HD2 HIS A 365 -8.758 -14.823 5.335 1.00 8.07 H new ATOM 0 HE1 HIS A 365 -6.049 -18.018 6.006 1.00 7.26 H new ATOM 39 N MET A 366 -4.897 -15.972 0.787 1.00 5.51 N ATOM 40 CA MET A 366 -3.832 -16.931 0.513 1.00 4.67 C ATOM 41 C MET A 366 -3.123 -17.360 1.794 1.00 4.56 C ATOM 42 O MET A 366 -2.693 -16.523 2.586 1.00 4.71 O ATOM 43 CB MET A 366 -2.815 -16.340 -0.468 1.00 4.15 C ATOM 44 CG MET A 366 -3.369 -16.110 -1.867 1.00 3.72 C ATOM 45 SD MET A 366 -4.670 -14.861 -1.912 1.00 3.31 S ATOM 46 CE MET A 366 -5.083 -14.862 -3.654 1.00 2.76 C ATOM 0 H MET A 366 -4.744 -15.046 0.387 1.00 5.51 H new ATOM 0 HA MET A 366 -4.293 -17.812 0.066 1.00 4.67 H new ATOM 0 HB2 MET A 366 -2.451 -15.392 -0.072 1.00 4.15 H new ATOM 0 HB3 MET A 366 -1.957 -17.009 -0.533 1.00 4.15 H new ATOM 0 HG2 MET A 366 -2.557 -15.806 -2.528 1.00 3.72 H new ATOM 0 HG3 MET A 366 -3.761 -17.050 -2.256 1.00 3.72 H new ATOM 0 HE1 MET A 366 -5.876 -14.138 -3.840 1.00 2.76 H new ATOM 0 HE2 MET A 366 -4.202 -14.594 -4.237 1.00 2.76 H new ATOM 0 HE3 MET A 366 -5.423 -15.855 -3.947 1.00 2.76 H new ATOM 56 N ASP A 367 -2.991 -18.675 1.969 1.00 4.67 N ATOM 57 CA ASP A 367 -2.323 -19.251 3.131 1.00 4.80 C ATOM 58 C ASP A 367 -2.983 -18.829 4.447 1.00 4.50 C ATOM 59 O ASP A 367 -3.155 -17.640 4.715 1.00 4.10 O ATOM 60 CB ASP A 367 -0.852 -18.848 3.130 1.00 4.92 C ATOM 61 CG ASP A 367 -0.082 -19.467 1.980 1.00 5.55 C ATOM 62 OD1 ASP A 367 -0.445 -19.207 0.814 1.00 5.80 O ATOM 63 OD2 ASP A 367 0.884 -20.212 2.247 1.00 6.06 O ATOM 0 H ASP A 367 -3.344 -19.368 1.309 1.00 4.67 H new ATOM 0 HA ASP A 367 -2.411 -20.335 3.059 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -0.776 -17.762 3.071 1.00 4.92 H new ATOM 0 HB3 ASP A 367 -0.395 -19.149 4.073 1.00 4.92 H new ATOM 68 N PRO A 368 -3.354 -19.807 5.295 1.00 4.98 N ATOM 69 CA PRO A 368 -3.986 -19.533 6.587 1.00 5.12 C ATOM 70 C PRO A 368 -2.978 -19.104 7.649 1.00 5.15 C ATOM 71 O PRO A 368 -3.065 -19.521 8.804 1.00 5.66 O ATOM 72 CB PRO A 368 -4.601 -20.877 6.964 1.00 5.90 C ATOM 73 CG PRO A 368 -3.719 -21.891 6.319 1.00 6.16 C ATOM 74 CD PRO A 368 -3.182 -21.256 5.063 1.00 5.69 C ATOM 0 HA PRO A 368 -4.703 -18.714 6.524 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -4.631 -21.009 8.046 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -5.627 -20.958 6.604 1.00 5.90 H new ATOM 0 HG2 PRO A 368 -2.906 -22.178 6.986 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -4.277 -22.798 6.087 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -2.135 -21.513 4.902 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -3.731 -21.587 4.182 1.00 5.69 H new ATOM 82 N LEU A 369 -2.016 -18.280 7.249 1.00 4.84 N ATOM 83 CA LEU A 369 -0.989 -17.808 8.162 1.00 5.12 C ATOM 84 C LEU A 369 -0.480 -16.431 7.756 1.00 4.61 C ATOM 85 O LEU A 369 0.657 -16.061 8.056 1.00 4.91 O ATOM 86 CB LEU A 369 0.158 -18.817 8.190 1.00 5.80 C ATOM 87 CG LEU A 369 0.688 -19.273 6.819 1.00 6.34 C ATOM 88 CD1 LEU A 369 1.248 -18.109 6.014 1.00 6.73 C ATOM 89 CD2 LEU A 369 1.756 -20.339 7.000 1.00 6.94 C ATOM 0 H LEU A 369 -1.928 -17.926 6.296 1.00 4.84 H new ATOM 0 HA LEU A 369 -1.419 -17.716 9.159 1.00 5.12 H new ATOM 0 HB2 LEU A 369 0.985 -18.382 8.751 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -0.172 -19.698 8.741 1.00 5.80 H new ATOM 0 HG LEU A 369 -0.152 -19.689 6.263 1.00 6.34 H new ATOM 0 HD11 LEU A 369 1.612 -18.473 5.053 1.00 6.73 H new ATOM 0 HD12 LEU A 369 0.464 -17.370 5.849 1.00 6.73 H new ATOM 0 HD13 LEU A 369 2.070 -17.649 6.563 1.00 6.73 H new ATOM 0 HD21 LEU A 369 2.124 -20.655 6.024 1.00 6.94 H new ATOM 0 HD22 LEU A 369 2.581 -19.932 7.585 1.00 6.94 H new ATOM 0 HD23 LEU A 369 1.330 -21.196 7.521 1.00 6.94 H new ATOM 101 N MET A 370 -1.330 -15.679 7.069 1.00 4.12 N ATOM 102 CA MET A 370 -0.981 -14.346 6.610 1.00 3.87 C ATOM 103 C MET A 370 -2.201 -13.652 6.008 1.00 3.02 C ATOM 104 O MET A 370 -2.262 -13.399 4.804 1.00 3.06 O ATOM 105 CB MET A 370 0.154 -14.420 5.584 1.00 4.63 C ATOM 106 CG MET A 370 0.540 -13.065 5.016 1.00 5.03 C ATOM 107 SD MET A 370 0.899 -11.853 6.300 1.00 5.63 S ATOM 108 CE MET A 370 0.797 -10.335 5.356 1.00 5.52 C ATOM 0 H MET A 370 -2.273 -15.975 6.817 1.00 4.12 H new ATOM 0 HA MET A 370 -0.640 -13.761 7.465 1.00 3.87 H new ATOM 0 HB2 MET A 370 1.028 -14.873 6.052 1.00 4.63 H new ATOM 0 HB3 MET A 370 -0.146 -15.076 4.767 1.00 4.63 H new ATOM 0 HG2 MET A 370 1.414 -13.179 4.375 1.00 5.03 H new ATOM 0 HG3 MET A 370 -0.270 -12.694 4.388 1.00 5.03 H new ATOM 0 HE1 MET A 370 0.300 -9.569 5.951 1.00 5.52 H new ATOM 0 HE2 MET A 370 1.801 -9.999 5.098 1.00 5.52 H new ATOM 0 HE3 MET A 370 0.228 -10.512 4.444 1.00 5.52 H new ATOM 118 N GLN A 371 -3.179 -13.362 6.858 1.00 2.80 N ATOM 119 CA GLN A 371 -4.404 -12.710 6.416 1.00 2.63 C ATOM 120 C GLN A 371 -4.105 -11.361 5.767 1.00 2.21 C ATOM 121 O GLN A 371 -3.447 -10.506 6.359 1.00 2.80 O ATOM 122 CB GLN A 371 -5.356 -12.517 7.599 1.00 3.46 C ATOM 123 CG GLN A 371 -5.702 -13.810 8.319 1.00 3.91 C ATOM 124 CD GLN A 371 -6.645 -13.590 9.486 1.00 4.54 C ATOM 125 OE1 GLN A 371 -7.776 -13.139 9.308 1.00 4.97 O ATOM 126 NE2 GLN A 371 -6.181 -13.903 10.691 1.00 5.04 N ATOM 0 H GLN A 371 -3.147 -13.568 7.856 1.00 2.80 H new ATOM 0 HA GLN A 371 -4.878 -13.351 5.673 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -4.904 -11.825 8.310 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -6.275 -12.052 7.243 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -6.158 -14.504 7.613 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -4.786 -14.278 8.679 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -5.237 -14.274 10.793 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -6.769 -13.772 11.514 1.00 5.04 H new ATOM 135 N LYS A 372 -4.603 -11.181 4.548 1.00 1.82 N ATOM 136 CA LYS A 372 -4.405 -9.940 3.807 1.00 1.77 C ATOM 137 C LYS A 372 -4.982 -8.752 4.570 1.00 1.50 C ATOM 138 O LYS A 372 -5.926 -8.901 5.348 1.00 1.89 O ATOM 139 CB LYS A 372 -5.046 -10.048 2.422 1.00 2.26 C ATOM 140 CG LYS A 372 -4.421 -11.129 1.551 1.00 2.93 C ATOM 141 CD LYS A 372 -5.127 -11.255 0.208 1.00 3.98 C ATOM 142 CE LYS A 372 -6.559 -11.740 0.368 1.00 4.77 C ATOM 143 NZ LYS A 372 -7.231 -11.928 -0.947 1.00 5.39 N ATOM 0 H LYS A 372 -5.150 -11.883 4.050 1.00 1.82 H new ATOM 0 HA LYS A 372 -3.334 -9.777 3.689 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -6.110 -10.254 2.537 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -4.961 -9.087 1.914 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -3.368 -10.900 1.387 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -4.462 -12.085 2.074 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -5.124 -10.289 -0.296 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -4.577 -11.948 -0.428 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -6.564 -12.682 0.916 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -7.121 -11.021 0.964 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -8.205 -12.259 -0.795 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -7.249 -11.024 -1.460 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -6.709 -12.633 -1.506 1.00 5.39 H new ATOM 157 N ILE A 373 -4.396 -7.575 4.354 1.00 1.42 N ATOM 158 CA ILE A 373 -4.831 -6.353 5.028 1.00 1.22 C ATOM 159 C ILE A 373 -6.350 -6.198 5.004 1.00 1.13 C ATOM 160 O ILE A 373 -6.976 -6.272 3.947 1.00 1.20 O ATOM 161 CB ILE A 373 -4.205 -5.101 4.379 1.00 1.16 C ATOM 162 CG1 ILE A 373 -2.677 -5.198 4.378 1.00 1.40 C ATOM 163 CG2 ILE A 373 -4.660 -3.840 5.102 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.069 -5.313 5.758 1.00 1.48 C ATOM 0 H ILE A 373 -3.614 -7.442 3.713 1.00 1.42 H new ATOM 0 HA ILE A 373 -4.495 -6.442 6.061 1.00 1.22 H new ATOM 0 HB ILE A 373 -4.544 -5.047 3.345 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -2.378 -6.064 3.787 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -2.267 -4.317 3.883 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.208 -2.967 4.630 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -5.746 -3.761 5.047 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -4.352 -3.888 6.146 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -0.984 -5.377 5.673 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.336 -4.436 6.347 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -2.448 -6.209 6.249 1.00 1.48 H new ATOM 176 N ASP A 374 -6.928 -5.962 6.177 1.00 1.16 N ATOM 177 CA ASP A 374 -8.367 -5.770 6.297 1.00 1.17 C ATOM 178 C ASP A 374 -8.684 -4.286 6.454 1.00 1.03 C ATOM 179 O ASP A 374 -8.068 -3.598 7.267 1.00 1.25 O ATOM 180 CB ASP A 374 -8.917 -6.560 7.486 1.00 1.40 C ATOM 181 CG ASP A 374 -8.685 -8.052 7.343 1.00 1.77 C ATOM 182 OD1 ASP A 374 -9.163 -8.636 6.348 1.00 2.04 O ATOM 183 OD2 ASP A 374 -8.028 -8.638 8.229 1.00 2.17 O ATOM 0 H ASP A 374 -6.420 -5.899 7.059 1.00 1.16 H new ATOM 0 HA ASP A 374 -8.845 -6.139 5.390 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -8.445 -6.207 8.403 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -9.986 -6.368 7.584 1.00 1.40 H new ATOM 188 N ILE A 375 -9.628 -3.794 5.663 1.00 0.84 N ATOM 189 CA ILE A 375 -10.001 -2.385 5.711 1.00 0.76 C ATOM 190 C ILE A 375 -10.964 -2.077 6.852 1.00 0.76 C ATOM 191 O ILE A 375 -10.827 -1.058 7.528 1.00 0.79 O ATOM 192 CB ILE A 375 -10.643 -1.925 4.394 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.672 -2.135 3.229 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.048 -0.465 4.508 1.00 0.84 C ATOM 195 CD1 ILE A 375 -10.271 -1.819 1.877 1.00 0.92 C ATOM 0 H ILE A 375 -10.149 -4.347 4.982 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.071 -1.841 5.877 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.535 -2.520 4.199 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.793 -1.509 3.383 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.331 -3.170 3.233 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.503 -0.140 3.573 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -11.765 -0.349 5.321 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.166 0.142 4.713 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -9.526 -1.991 1.100 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -11.133 -2.462 1.702 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.586 -0.776 1.853 1.00 0.92 H new ATOM 207 N SER A 376 -11.942 -2.954 7.048 1.00 0.79 N ATOM 208 CA SER A 376 -12.942 -2.772 8.098 1.00 0.87 C ATOM 209 C SER A 376 -12.291 -2.422 9.426 1.00 0.96 C ATOM 210 O SER A 376 -12.919 -1.835 10.308 1.00 1.54 O ATOM 211 CB SER A 376 -13.785 -4.034 8.249 1.00 0.95 C ATOM 212 OG SER A 376 -14.781 -3.868 9.244 1.00 1.71 O ATOM 0 H SER A 376 -12.065 -3.801 6.493 1.00 0.79 H new ATOM 0 HA SER A 376 -13.586 -1.942 7.806 1.00 0.87 H new ATOM 0 HB2 SER A 376 -14.256 -4.276 7.296 1.00 0.95 H new ATOM 0 HB3 SER A 376 -13.142 -4.875 8.510 1.00 0.95 H new ATOM 0 HG SER A 376 -15.308 -4.691 9.320 1.00 1.71 H new ATOM 218 N GLU A 377 -11.029 -2.788 9.552 1.00 0.93 N ATOM 219 CA GLU A 377 -10.265 -2.526 10.761 1.00 1.03 C ATOM 220 C GLU A 377 -10.292 -1.046 11.117 1.00 0.87 C ATOM 221 O GLU A 377 -10.535 -0.681 12.266 1.00 0.93 O ATOM 222 CB GLU A 377 -8.818 -2.970 10.564 1.00 1.18 C ATOM 223 CG GLU A 377 -8.679 -4.416 10.122 1.00 1.28 C ATOM 224 CD GLU A 377 -9.003 -5.403 11.226 1.00 1.54 C ATOM 225 OE1 GLU A 377 -10.151 -5.391 11.717 1.00 1.90 O ATOM 226 OE2 GLU A 377 -8.109 -6.193 11.598 1.00 1.92 O ATOM 0 H GLU A 377 -10.505 -3.273 8.824 1.00 0.93 H new ATOM 0 HA GLU A 377 -10.719 -3.088 11.577 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -8.347 -2.325 9.822 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -8.274 -2.831 11.498 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -9.340 -4.597 9.274 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -7.660 -4.588 9.775 1.00 1.28 H new ATOM 233 N ASN A 378 -10.035 -0.205 10.119 1.00 0.71 N ATOM 234 CA ASN A 378 -10.015 1.242 10.309 1.00 0.61 C ATOM 235 C ASN A 378 -10.014 1.970 8.966 1.00 0.58 C ATOM 236 O ASN A 378 -9.045 1.891 8.208 1.00 0.59 O ATOM 237 CB ASN A 378 -8.775 1.651 11.108 1.00 0.62 C ATOM 238 CG ASN A 378 -8.933 1.448 12.600 1.00 1.15 C ATOM 239 OD1 ASN A 378 -8.040 0.926 13.266 1.00 1.16 O ATOM 240 ND2 ASN A 378 -10.059 1.895 13.136 1.00 2.14 N ATOM 0 H ASN A 378 -9.836 -0.504 9.164 1.00 0.71 H new ATOM 0 HA ASN A 378 -10.914 1.521 10.859 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -7.919 1.074 10.758 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -8.554 2.700 10.912 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -10.213 1.813 14.141 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -10.772 2.321 12.544 1.00 2.14 H new ATOM 247 N PRO A 379 -11.105 2.688 8.648 1.00 0.62 N ATOM 248 CA PRO A 379 -11.229 3.430 7.390 1.00 0.65 C ATOM 249 C PRO A 379 -10.333 4.666 7.344 1.00 0.61 C ATOM 250 O PRO A 379 -9.732 4.970 6.314 1.00 0.62 O ATOM 251 CB PRO A 379 -12.708 3.850 7.358 1.00 0.77 C ATOM 252 CG PRO A 379 -13.371 3.083 8.456 1.00 0.85 C ATOM 253 CD PRO A 379 -12.305 2.830 9.479 1.00 0.75 C ATOM 0 HA PRO A 379 -10.923 2.822 6.539 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.813 4.924 7.512 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -13.159 3.621 6.393 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.198 3.649 8.885 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.786 2.146 8.084 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.215 3.655 10.186 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.505 1.931 10.062 1.00 0.75 H new ATOM 261 N ASP A 380 -10.261 5.384 8.463 1.00 0.62 N ATOM 262 CA ASP A 380 -9.453 6.599 8.547 1.00 0.64 C ATOM 263 C ASP A 380 -7.975 6.292 8.784 1.00 0.55 C ATOM 264 O ASP A 380 -7.106 7.022 8.306 1.00 0.55 O ATOM 265 CB ASP A 380 -9.971 7.513 9.658 1.00 0.75 C ATOM 266 CG ASP A 380 -11.413 7.929 9.443 1.00 0.86 C ATOM 267 OD1 ASP A 380 -11.699 8.560 8.404 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.255 7.623 10.313 1.00 1.20 O ATOM 0 H ASP A 380 -10.753 5.145 9.324 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.541 7.106 7.586 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -9.883 7.001 10.616 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.344 8.403 9.714 1.00 0.75 H new ATOM 273 N LYS A 381 -7.695 5.231 9.539 1.00 0.51 N ATOM 274 CA LYS A 381 -6.316 4.854 9.852 1.00 0.47 C ATOM 275 C LYS A 381 -5.427 4.918 8.615 1.00 0.39 C ATOM 276 O LYS A 381 -5.727 4.304 7.592 1.00 0.37 O ATOM 277 CB LYS A 381 -6.263 3.447 10.445 1.00 0.50 C ATOM 278 CG LYS A 381 -4.854 2.958 10.744 1.00 0.52 C ATOM 279 CD LYS A 381 -4.861 1.533 11.278 1.00 0.59 C ATOM 280 CE LYS A 381 -3.450 1.024 11.536 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.446 -0.390 12.006 1.00 1.66 N ATOM 0 H LYS A 381 -8.402 4.618 9.945 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.943 5.569 10.585 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.847 3.429 11.365 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.739 2.753 9.752 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.251 3.005 9.837 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.385 3.619 11.473 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.437 1.493 12.202 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.359 0.878 10.563 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -2.862 1.104 10.621 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.967 1.656 12.282 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.466 -0.698 12.170 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -3.985 -0.463 12.892 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.884 -0.997 11.284 1.00 1.66 H new ATOM 295 N ILE A 382 -4.341 5.675 8.714 1.00 0.40 N ATOM 296 CA ILE A 382 -3.410 5.832 7.609 1.00 0.35 C ATOM 297 C ILE A 382 -2.488 4.617 7.463 1.00 0.34 C ATOM 298 O ILE A 382 -1.873 4.176 8.434 1.00 0.41 O ATOM 299 CB ILE A 382 -2.537 7.083 7.811 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.377 8.256 8.333 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.847 7.454 6.511 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.557 8.616 7.453 1.00 0.37 C ATOM 0 H ILE A 382 -4.084 6.192 9.555 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.010 5.932 6.705 1.00 0.35 H new ATOM 0 HB ILE A 382 -1.776 6.857 8.558 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -3.743 8.011 9.330 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -2.735 9.131 8.436 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.232 8.341 6.666 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.216 6.627 6.185 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.597 7.661 5.747 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.097 9.454 7.894 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.200 8.895 6.462 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.224 7.758 7.370 1.00 0.37 H new ATOM 314 N TYR A 383 -2.374 4.103 6.239 1.00 0.30 N ATOM 315 CA TYR A 383 -1.498 2.965 5.956 1.00 0.30 C ATOM 316 C TYR A 383 -0.324 3.419 5.095 1.00 0.28 C ATOM 317 O TYR A 383 -0.485 4.276 4.235 1.00 0.25 O ATOM 318 CB TYR A 383 -2.252 1.848 5.226 1.00 0.32 C ATOM 319 CG TYR A 383 -3.391 1.237 6.012 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.568 1.939 6.231 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.289 -0.049 6.529 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.612 1.380 6.944 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.328 -0.615 7.244 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.487 0.103 7.447 1.00 0.52 C ATOM 325 OH TYR A 383 -6.524 -0.458 8.157 1.00 0.63 O ATOM 0 H TYR A 383 -2.878 4.457 5.426 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.138 2.576 6.908 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.646 2.245 4.290 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.545 1.061 4.965 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.670 2.940 5.837 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.383 -0.615 6.370 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.521 1.941 7.106 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.232 -1.615 7.641 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.275 -1.363 8.440 1.00 0.63 H new ATOM 335 N PHE A 384 0.852 2.847 5.319 1.00 0.31 N ATOM 336 CA PHE A 384 2.028 3.220 4.536 1.00 0.30 C ATOM 337 C PHE A 384 2.150 2.348 3.286 1.00 0.28 C ATOM 338 O PHE A 384 1.990 1.129 3.350 1.00 0.33 O ATOM 339 CB PHE A 384 3.298 3.118 5.381 1.00 0.40 C ATOM 340 CG PHE A 384 3.260 3.957 6.631 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.554 3.534 7.747 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.933 5.167 6.689 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.518 4.302 8.894 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.900 5.940 7.834 1.00 0.64 C ATOM 345 CZ PHE A 384 3.185 5.508 8.938 1.00 0.74 C ATOM 0 H PHE A 384 1.019 2.132 6.027 1.00 0.31 H new ATOM 0 HA PHE A 384 1.905 4.256 4.221 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.457 2.076 5.658 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.152 3.421 4.776 1.00 0.40 H new ATOM 0 HD1 PHE A 384 2.026 2.592 7.719 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.490 5.510 5.829 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.967 3.958 9.757 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.431 6.880 7.868 1.00 0.64 H new ATOM 0 HZ PHE A 384 3.150 6.114 9.831 1.00 0.74 H new ATOM 355 N ILE A 385 2.429 2.984 2.148 1.00 0.26 N ATOM 356 CA ILE A 385 2.567 2.271 0.880 1.00 0.27 C ATOM 357 C ILE A 385 3.961 2.464 0.297 1.00 0.24 C ATOM 358 O ILE A 385 4.466 3.585 0.237 1.00 0.30 O ATOM 359 CB ILE A 385 1.537 2.745 -0.172 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.106 2.667 0.371 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.664 1.916 -1.442 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.208 3.716 1.410 1.00 0.32 C ATOM 0 H ILE A 385 2.564 3.993 2.079 1.00 0.26 H new ATOM 0 HA ILE A 385 2.390 1.219 1.103 1.00 0.27 H new ATOM 0 HB ILE A 385 1.750 3.789 -0.403 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.594 2.769 -0.458 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.055 1.680 0.804 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.934 2.259 -2.175 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.668 2.028 -1.851 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.481 0.867 -1.211 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.238 3.598 1.747 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.467 3.601 2.258 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.080 4.708 0.976 1.00 0.32 H new ATOM 374 N ARG A 386 4.582 1.372 -0.136 1.00 0.29 N ATOM 375 CA ARG A 386 5.918 1.442 -0.714 1.00 0.30 C ATOM 376 C ARG A 386 5.846 1.560 -2.233 1.00 0.33 C ATOM 377 O ARG A 386 5.382 0.644 -2.913 1.00 0.42 O ATOM 378 CB ARG A 386 6.730 0.205 -0.329 1.00 0.38 C ATOM 379 CG ARG A 386 8.212 0.332 -0.643 1.00 0.50 C ATOM 380 CD ARG A 386 8.964 -0.952 -0.322 1.00 1.02 C ATOM 381 NE ARG A 386 10.413 -0.786 -0.435 1.00 1.40 N ATOM 382 CZ ARG A 386 11.047 -0.526 -1.577 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.376 -0.455 -2.719 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.362 -0.348 -1.578 1.00 2.39 N ATOM 0 H ARG A 386 4.184 0.434 -0.098 1.00 0.29 H new ATOM 0 HA ARG A 386 6.411 2.330 -0.318 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.607 0.017 0.738 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.328 -0.662 -0.854 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.342 0.577 -1.697 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.637 1.156 -0.070 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.715 -1.274 0.689 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.637 -1.742 -0.998 1.00 1.02 H new ATOM 0 HE ARG A 386 10.972 -0.875 0.413 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.366 -0.600 -2.727 1.00 2.42 H new ATOM 0 HH12 ARG A 386 10.870 -0.255 -3.589 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.886 -0.410 -0.705 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.849 -0.149 -2.452 1.00 2.39 H new ATOM 398 N ARG A 387 6.315 2.685 -2.764 1.00 0.41 N ATOM 399 CA ARG A 387 6.310 2.906 -4.206 1.00 0.51 C ATOM 400 C ARG A 387 7.433 2.119 -4.872 1.00 0.49 C ATOM 401 O ARG A 387 8.417 1.764 -4.224 1.00 0.47 O ATOM 402 CB ARG A 387 6.440 4.397 -4.524 1.00 0.63 C ATOM 403 CG ARG A 387 5.296 5.232 -3.971 1.00 0.84 C ATOM 404 CD ARG A 387 5.395 6.682 -4.417 1.00 0.94 C ATOM 405 NE ARG A 387 5.321 6.812 -5.870 1.00 1.32 N ATOM 406 CZ ARG A 387 5.327 7.979 -6.508 1.00 1.79 C ATOM 407 NH1 ARG A 387 5.396 9.114 -5.825 1.00 2.30 N ATOM 408 NH2 ARG A 387 5.260 8.012 -7.832 1.00 2.25 N ATOM 0 H ARG A 387 6.702 3.456 -2.219 1.00 0.41 H new ATOM 0 HA ARG A 387 5.358 2.552 -4.603 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.381 4.767 -4.117 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.487 4.528 -5.605 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.346 4.813 -4.302 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.303 5.184 -2.882 1.00 0.84 H new ATOM 0 HD2 ARG A 387 4.591 7.258 -3.960 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.334 7.108 -4.062 1.00 0.94 H new ATOM 0 HE ARG A 387 5.261 5.960 -6.427 1.00 1.32 H new ATOM 0 HH11 ARG A 387 5.445 9.094 -4.806 1.00 2.30 H new ATOM 0 HH12 ARG A 387 5.400 10.007 -6.318 1.00 2.30 H new ATOM 0 HH21 ARG A 387 5.204 7.142 -8.362 1.00 2.25 H new ATOM 0 HH22 ARG A 387 5.265 8.907 -8.321 1.00 2.25 H new ATOM 422 N GLU A 388 7.279 1.839 -6.165 1.00 0.64 N ATOM 423 CA GLU A 388 8.285 1.085 -6.908 1.00 0.69 C ATOM 424 C GLU A 388 9.660 1.723 -6.770 1.00 0.61 C ATOM 425 O GLU A 388 10.649 1.031 -6.524 1.00 0.63 O ATOM 426 CB GLU A 388 7.899 0.987 -8.386 1.00 0.88 C ATOM 427 CG GLU A 388 6.601 0.234 -8.633 1.00 1.58 C ATOM 428 CD GLU A 388 6.683 -1.227 -8.233 1.00 2.20 C ATOM 429 OE1 GLU A 388 6.884 -1.501 -7.031 1.00 2.82 O ATOM 430 OE2 GLU A 388 6.545 -2.096 -9.119 1.00 2.65 O ATOM 0 H GLU A 388 6.470 2.122 -6.718 1.00 0.64 H new ATOM 0 HA GLU A 388 8.328 0.081 -6.486 1.00 0.69 H new ATOM 0 HB2 GLU A 388 7.808 1.993 -8.796 1.00 0.88 H new ATOM 0 HB3 GLU A 388 8.704 0.493 -8.930 1.00 0.88 H new ATOM 0 HG2 GLU A 388 5.796 0.714 -8.076 1.00 1.58 H new ATOM 0 HG3 GLU A 388 6.342 0.303 -9.690 1.00 1.58 H new ATOM 437 N ASP A 389 9.717 3.043 -6.908 1.00 0.65 N ATOM 438 CA ASP A 389 10.974 3.765 -6.775 1.00 0.69 C ATOM 439 C ASP A 389 11.613 3.436 -5.430 1.00 0.64 C ATOM 440 O ASP A 389 12.835 3.472 -5.277 1.00 0.91 O ATOM 441 CB ASP A 389 10.743 5.270 -6.910 1.00 0.81 C ATOM 442 CG ASP A 389 9.667 5.775 -5.972 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.820 5.603 -4.745 1.00 1.23 O ATOM 444 OD2 ASP A 389 8.673 6.346 -6.464 1.00 1.06 O ATOM 0 H ASP A 389 8.909 3.632 -7.111 1.00 0.65 H new ATOM 0 HA ASP A 389 11.650 3.455 -7.572 1.00 0.69 H new ATOM 0 HB2 ASP A 389 11.675 5.798 -6.707 1.00 0.81 H new ATOM 0 HB3 ASP A 389 10.463 5.501 -7.938 1.00 0.81 H new ATOM 449 N GLY A 390 10.764 3.093 -4.465 1.00 0.55 N ATOM 450 CA GLY A 390 11.231 2.733 -3.141 1.00 0.53 C ATOM 451 C GLY A 390 11.036 3.837 -2.118 1.00 0.55 C ATOM 452 O GLY A 390 11.885 4.043 -1.253 1.00 1.03 O ATOM 0 H GLY A 390 9.751 3.059 -4.581 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.703 1.840 -2.807 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.289 2.477 -3.193 1.00 0.53 H new ATOM 456 N THR A 391 9.912 4.542 -2.210 1.00 0.57 N ATOM 457 CA THR A 391 9.608 5.622 -1.275 1.00 0.54 C ATOM 458 C THR A 391 8.303 5.365 -0.532 1.00 0.41 C ATOM 459 O THR A 391 7.225 5.392 -1.125 1.00 0.44 O ATOM 460 CB THR A 391 9.518 6.989 -1.978 1.00 0.71 C ATOM 461 OG1 THR A 391 8.526 6.952 -3.010 1.00 0.98 O ATOM 462 CG2 THR A 391 10.863 7.382 -2.567 1.00 0.88 C ATOM 0 H THR A 391 9.198 4.386 -2.921 1.00 0.57 H new ATOM 0 HA THR A 391 10.434 5.646 -0.564 1.00 0.54 H new ATOM 0 HB THR A 391 9.233 7.735 -1.236 1.00 0.71 H new ATOM 0 HG1 THR A 391 8.820 6.350 -3.725 1.00 0.98 H new ATOM 0 HG21 THR A 391 10.776 8.351 -3.059 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.605 7.445 -1.771 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.174 6.633 -3.295 1.00 0.88 H new ATOM 470 N VAL A 392 8.408 5.123 0.770 1.00 0.37 N ATOM 471 CA VAL A 392 7.233 4.875 1.593 1.00 0.33 C ATOM 472 C VAL A 392 6.409 6.150 1.739 1.00 0.32 C ATOM 473 O VAL A 392 6.950 7.217 2.031 1.00 0.41 O ATOM 474 CB VAL A 392 7.624 4.357 2.992 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.385 4.085 3.832 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.482 3.106 2.874 1.00 0.52 C ATOM 0 H VAL A 392 9.293 5.094 1.276 1.00 0.37 H new ATOM 0 HA VAL A 392 6.639 4.110 1.094 1.00 0.33 H new ATOM 0 HB VAL A 392 8.208 5.128 3.494 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.684 3.720 4.815 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.813 5.006 3.945 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.769 3.333 3.339 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.750 2.753 3.870 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.923 2.329 2.352 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.389 3.338 2.316 1.00 0.52 H new ATOM 486 N HIS A 393 5.103 6.036 1.530 1.00 0.29 N ATOM 487 CA HIS A 393 4.211 7.185 1.632 1.00 0.31 C ATOM 488 C HIS A 393 2.841 6.775 2.163 1.00 0.27 C ATOM 489 O HIS A 393 2.274 5.768 1.743 1.00 0.26 O ATOM 490 CB HIS A 393 4.052 7.862 0.270 1.00 0.37 C ATOM 491 CG HIS A 393 5.314 8.481 -0.245 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.985 9.484 0.423 1.00 1.92 N ATOM 493 CD2 HIS A 393 6.030 8.235 -1.368 1.00 0.94 C ATOM 494 CE1 HIS A 393 7.058 9.829 -0.268 1.00 2.43 C ATOM 495 NE2 HIS A 393 7.107 9.086 -1.358 1.00 1.82 N ATOM 0 H HIS A 393 4.638 5.161 1.289 1.00 0.29 H new ATOM 0 HA HIS A 393 4.658 7.889 2.334 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.697 7.127 -0.452 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.284 8.632 0.344 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.797 7.505 -2.129 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.773 10.589 0.012 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.829 9.136 -2.077 1.00 1.82 H new ATOM 504 N ARG A 394 2.321 7.570 3.091 1.00 0.29 N ATOM 505 CA ARG A 394 1.019 7.311 3.697 1.00 0.28 C ATOM 506 C ARG A 394 -0.077 7.148 2.644 1.00 0.26 C ATOM 507 O ARG A 394 0.029 7.669 1.536 1.00 0.32 O ATOM 508 CB ARG A 394 0.666 8.437 4.667 1.00 0.35 C ATOM 509 CG ARG A 394 1.486 8.405 5.947 1.00 0.42 C ATOM 510 CD ARG A 394 1.113 9.544 6.879 1.00 0.52 C ATOM 511 NE ARG A 394 1.798 9.452 8.167 1.00 1.34 N ATOM 512 CZ ARG A 394 1.590 8.476 9.049 1.00 2.01 C ATOM 513 NH1 ARG A 394 0.714 7.514 8.788 1.00 2.41 N ATOM 514 NH2 ARG A 394 2.257 8.463 10.194 1.00 2.96 N ATOM 0 H ARG A 394 2.786 8.407 3.443 1.00 0.29 H new ATOM 0 HA ARG A 394 1.084 6.370 4.243 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.817 9.396 4.171 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.392 8.372 4.920 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.331 7.453 6.455 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.546 8.467 5.702 1.00 0.42 H new ATOM 0 HD2 ARG A 394 1.360 10.494 6.405 1.00 0.52 H new ATOM 0 HD3 ARG A 394 0.035 9.540 7.042 1.00 0.52 H new ATOM 0 HE ARG A 394 2.475 10.177 8.404 1.00 1.34 H new ATOM 0 HH11 ARG A 394 0.197 7.520 7.909 1.00 2.41 H new ATOM 0 HH12 ARG A 394 0.558 6.769 9.466 1.00 2.41 H new ATOM 0 HH21 ARG A 394 2.930 9.201 10.400 1.00 2.96 H new ATOM 0 HH22 ARG A 394 2.097 7.715 10.869 1.00 2.96 H new ATOM 528 N GLY A 395 -1.123 6.402 3.006 1.00 0.23 N ATOM 529 CA GLY A 395 -2.232 6.153 2.097 1.00 0.25 C ATOM 530 C GLY A 395 -3.312 5.286 2.731 1.00 0.23 C ATOM 531 O GLY A 395 -3.010 4.241 3.308 1.00 0.26 O ATOM 0 H GLY A 395 -1.221 5.963 3.921 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.667 7.104 1.788 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.859 5.665 1.196 1.00 0.25 H new ATOM 535 N GLN A 396 -4.569 5.717 2.632 1.00 0.29 N ATOM 536 CA GLN A 396 -5.687 4.967 3.210 1.00 0.34 C ATOM 537 C GLN A 396 -6.300 3.992 2.204 1.00 0.35 C ATOM 538 O GLN A 396 -6.557 4.350 1.057 1.00 0.46 O ATOM 539 CB GLN A 396 -6.766 5.926 3.717 1.00 0.43 C ATOM 540 CG GLN A 396 -6.282 6.860 4.814 1.00 0.50 C ATOM 541 CD GLN A 396 -7.385 7.750 5.352 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.455 7.274 5.728 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.120 9.047 5.408 1.00 0.61 N ATOM 0 H GLN A 396 -4.840 6.579 2.159 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.290 4.388 4.044 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.134 6.521 2.881 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.610 5.346 4.091 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -5.866 6.270 5.631 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.475 7.482 4.426 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.218 9.398 5.085 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -7.818 9.695 5.774 1.00 0.61 H new ATOM 552 N VAL A 397 -6.542 2.761 2.650 1.00 0.33 N ATOM 553 CA VAL A 397 -7.137 1.734 1.796 1.00 0.33 C ATOM 554 C VAL A 397 -8.663 1.804 1.849 1.00 0.33 C ATOM 555 O VAL A 397 -9.246 1.907 2.929 1.00 0.37 O ATOM 556 CB VAL A 397 -6.684 0.325 2.221 1.00 0.38 C ATOM 557 CG1 VAL A 397 -7.004 -0.694 1.140 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.203 0.323 2.560 1.00 0.83 C ATOM 0 H VAL A 397 -6.335 2.450 3.599 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.799 1.924 0.777 1.00 0.33 H new ATOM 0 HB VAL A 397 -7.235 0.040 3.117 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.675 -1.682 1.462 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -8.079 -0.710 0.962 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.488 -0.422 0.219 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.899 -0.680 2.858 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.629 0.631 1.686 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -5.016 1.017 3.379 1.00 0.83 H new ATOM 568 N LEU A 398 -9.307 1.758 0.686 1.00 0.36 N ATOM 569 CA LEU A 398 -10.767 1.828 0.623 1.00 0.40 C ATOM 570 C LEU A 398 -11.373 0.596 -0.051 1.00 0.41 C ATOM 571 O LEU A 398 -12.343 0.023 0.444 1.00 0.47 O ATOM 572 CB LEU A 398 -11.203 3.088 -0.127 1.00 0.46 C ATOM 573 CG LEU A 398 -10.719 4.408 0.477 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.123 5.577 -0.408 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.274 4.587 1.883 1.00 1.45 C ATOM 0 H LEU A 398 -8.847 1.673 -0.220 1.00 0.36 H new ATOM 0 HA LEU A 398 -11.133 1.862 1.649 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.842 3.023 -1.154 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.292 3.106 -0.172 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.631 4.381 0.538 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.771 6.508 0.036 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.679 5.456 -1.396 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.209 5.606 -0.499 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.919 5.531 2.297 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.363 4.594 1.846 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.937 3.765 2.514 1.00 1.45 H new ATOM 587 N GLN A 399 -10.807 0.207 -1.190 1.00 0.39 N ATOM 588 CA GLN A 399 -11.306 -0.943 -1.944 1.00 0.43 C ATOM 589 C GLN A 399 -10.196 -1.943 -2.244 1.00 0.38 C ATOM 590 O GLN A 399 -9.034 -1.716 -1.911 1.00 0.35 O ATOM 591 CB GLN A 399 -11.945 -0.481 -3.254 1.00 0.49 C ATOM 592 CG GLN A 399 -13.204 0.349 -3.064 1.00 0.60 C ATOM 593 CD GLN A 399 -14.340 -0.446 -2.450 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.237 -0.934 -1.325 1.00 2.08 O ATOM 595 NE2 GLN A 399 -15.432 -0.585 -3.192 1.00 2.04 N ATOM 0 H GLN A 399 -10.002 0.670 -1.613 1.00 0.39 H new ATOM 0 HA GLN A 399 -12.054 -1.439 -1.326 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.217 0.104 -3.816 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.186 -1.356 -3.858 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -12.978 1.204 -2.427 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -13.522 0.745 -4.028 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -15.475 -0.164 -4.120 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -16.228 -1.113 -2.834 1.00 2.04 H new ATOM 604 N SER A 400 -10.572 -3.054 -2.871 1.00 0.42 N ATOM 605 CA SER A 400 -9.618 -4.100 -3.222 1.00 0.41 C ATOM 606 C SER A 400 -10.197 -5.032 -4.285 1.00 0.47 C ATOM 607 O SER A 400 -11.374 -5.385 -4.240 1.00 0.54 O ATOM 608 CB SER A 400 -9.226 -4.902 -1.980 1.00 0.47 C ATOM 609 OG SER A 400 -10.352 -5.546 -1.413 1.00 0.56 O ATOM 0 H SER A 400 -11.534 -3.253 -3.147 1.00 0.42 H new ATOM 0 HA SER A 400 -8.728 -3.622 -3.631 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.474 -5.645 -2.245 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.773 -4.239 -1.243 1.00 0.47 H new ATOM 0 HG SER A 400 -10.075 -6.053 -0.622 1.00 0.56 H new ATOM 615 N ARG A 401 -9.356 -5.421 -5.241 1.00 0.51 N ATOM 616 CA ARG A 401 -9.774 -6.306 -6.324 1.00 0.60 C ATOM 617 C ARG A 401 -8.617 -7.189 -6.783 1.00 0.73 C ATOM 618 O ARG A 401 -7.480 -6.733 -6.897 1.00 0.86 O ATOM 619 CB ARG A 401 -10.322 -5.482 -7.497 1.00 0.65 C ATOM 620 CG ARG A 401 -9.397 -4.359 -7.959 1.00 0.72 C ATOM 621 CD ARG A 401 -8.301 -4.860 -8.889 1.00 0.91 C ATOM 622 NE ARG A 401 -8.821 -5.218 -10.204 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.267 -4.328 -11.086 1.00 1.25 C ATOM 624 NH1 ARG A 401 -9.200 -3.030 -10.816 1.00 1.55 N ATOM 625 NH2 ARG A 401 -9.761 -4.735 -12.247 1.00 1.43 N ATOM 0 H ARG A 401 -8.378 -5.136 -5.287 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.566 -6.956 -5.952 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -10.513 -6.149 -8.337 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.281 -5.052 -7.208 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.983 -3.595 -8.470 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.943 -3.884 -7.089 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -7.538 -4.089 -8.998 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -7.816 -5.728 -8.443 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.844 -6.205 -10.461 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -8.806 -2.713 -9.930 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -9.543 -2.350 -11.494 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -9.799 -5.731 -12.464 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -10.103 -4.052 -12.923 1.00 1.43 H new ATOM 639 N THR A 402 -8.913 -8.458 -7.040 1.00 0.82 N ATOM 640 CA THR A 402 -7.901 -9.406 -7.488 1.00 0.99 C ATOM 641 C THR A 402 -8.041 -9.653 -8.990 1.00 1.16 C ATOM 642 O THR A 402 -7.944 -10.785 -9.459 1.00 1.79 O ATOM 643 CB THR A 402 -8.017 -10.744 -6.727 1.00 1.14 C ATOM 644 OG1 THR A 402 -8.123 -10.494 -5.320 1.00 1.38 O ATOM 645 CG2 THR A 402 -6.808 -11.631 -6.987 1.00 1.29 C ATOM 0 H THR A 402 -9.848 -8.854 -6.945 1.00 0.82 H new ATOM 0 HA THR A 402 -6.921 -8.976 -7.281 1.00 0.99 H new ATOM 0 HB THR A 402 -8.909 -11.258 -7.084 1.00 1.14 H new ATOM 0 HG1 THR A 402 -8.198 -11.346 -4.841 1.00 1.38 H new ATOM 0 HG21 THR A 402 -6.918 -12.566 -6.438 1.00 1.29 H new ATOM 0 HG22 THR A 402 -6.735 -11.843 -8.054 1.00 1.29 H new ATOM 0 HG23 THR A 402 -5.904 -11.120 -6.656 1.00 1.29 H new ATOM 653 N THR A 403 -8.274 -8.574 -9.734 1.00 1.43 N ATOM 654 CA THR A 403 -8.439 -8.649 -11.185 1.00 1.62 C ATOM 655 C THR A 403 -9.481 -9.713 -11.557 1.00 1.84 C ATOM 656 O THR A 403 -10.145 -10.273 -10.683 1.00 1.85 O ATOM 657 CB THR A 403 -7.094 -8.948 -11.881 1.00 1.77 C ATOM 658 OG1 THR A 403 -6.053 -8.191 -11.252 1.00 1.78 O ATOM 659 CG2 THR A 403 -7.137 -8.580 -13.358 1.00 1.95 C ATOM 0 H THR A 403 -8.353 -7.631 -9.353 1.00 1.43 H new ATOM 0 HA THR A 403 -8.794 -7.679 -11.532 1.00 1.62 H new ATOM 0 HB THR A 403 -6.902 -10.017 -11.792 1.00 1.77 H new ATOM 0 HG1 THR A 403 -6.283 -7.239 -11.272 1.00 1.78 H new ATOM 0 HG21 THR A 403 -6.174 -8.804 -13.817 1.00 1.95 H new ATOM 0 HG22 THR A 403 -7.918 -9.157 -13.854 1.00 1.95 H new ATOM 0 HG23 THR A 403 -7.350 -7.516 -13.462 1.00 1.95 H new ATOM 667 N GLU A 404 -9.630 -9.984 -12.850 1.00 2.08 N ATOM 668 CA GLU A 404 -10.593 -10.973 -13.320 1.00 2.34 C ATOM 669 C GLU A 404 -10.227 -12.363 -12.815 1.00 2.30 C ATOM 670 O GLU A 404 -11.099 -13.163 -12.479 1.00 2.37 O ATOM 671 CB GLU A 404 -10.657 -10.967 -14.849 1.00 2.72 C ATOM 672 CG GLU A 404 -11.109 -9.637 -15.432 1.00 2.91 C ATOM 673 CD GLU A 404 -11.164 -9.647 -16.947 1.00 3.42 C ATOM 674 OE1 GLU A 404 -10.847 -10.696 -17.547 1.00 3.79 O ATOM 675 OE2 GLU A 404 -11.525 -8.606 -17.534 1.00 3.87 O ATOM 0 H GLU A 404 -9.095 -9.532 -13.592 1.00 2.08 H new ATOM 0 HA GLU A 404 -11.574 -10.710 -12.925 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -9.673 -11.213 -15.247 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -11.339 -11.750 -15.179 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -12.095 -9.390 -15.039 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -10.429 -8.851 -15.103 1.00 2.91 H new ATOM 682 N ASN A 405 -8.928 -12.639 -12.766 1.00 2.26 N ATOM 683 CA ASN A 405 -8.430 -13.927 -12.304 1.00 2.30 C ATOM 684 C ASN A 405 -8.934 -14.249 -10.899 1.00 2.07 C ATOM 685 O ASN A 405 -9.481 -15.326 -10.660 1.00 2.40 O ATOM 686 CB ASN A 405 -6.904 -13.924 -12.312 1.00 2.43 C ATOM 687 CG ASN A 405 -6.327 -14.051 -13.707 1.00 2.67 C ATOM 688 OD1 ASN A 405 -6.582 -13.218 -14.578 1.00 3.16 O ATOM 689 ND2 ASN A 405 -5.542 -15.100 -13.924 1.00 2.73 N ATOM 0 H ASN A 405 -8.198 -11.982 -13.043 1.00 2.26 H new ATOM 0 HA ASN A 405 -8.802 -14.694 -12.983 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -6.544 -13.001 -11.857 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -6.540 -14.746 -11.696 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -5.122 -15.241 -14.843 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -5.359 -15.764 -13.172 1.00 2.73 H new ATOM 696 N ALA A 406 -8.739 -13.313 -9.976 1.00 1.82 N ATOM 697 CA ALA A 406 -9.165 -13.496 -8.593 1.00 1.67 C ATOM 698 C ALA A 406 -8.550 -14.757 -7.998 1.00 1.85 C ATOM 699 O ALA A 406 -9.259 -15.648 -7.528 1.00 2.18 O ATOM 700 CB ALA A 406 -10.682 -13.544 -8.507 1.00 1.72 C ATOM 0 H ALA A 406 -8.287 -12.417 -10.161 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.814 -12.644 -8.011 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -10.983 -13.681 -7.468 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -11.098 -12.610 -8.885 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -11.054 -14.375 -9.105 1.00 1.72 H new ATOM 706 N ALA A 407 -7.223 -14.828 -8.032 1.00 1.91 N ATOM 707 CA ALA A 407 -6.499 -15.982 -7.511 1.00 2.19 C ATOM 708 C ALA A 407 -5.037 -15.642 -7.260 1.00 2.37 C ATOM 709 O ALA A 407 -4.270 -16.467 -6.763 1.00 2.77 O ATOM 710 CB ALA A 407 -6.593 -17.134 -8.496 1.00 2.38 C ATOM 0 H ALA A 407 -6.625 -14.097 -8.417 1.00 1.91 H new ATOM 0 HA ALA A 407 -6.953 -16.271 -6.563 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -6.051 -17.994 -8.103 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -7.639 -17.401 -8.644 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -6.157 -16.835 -9.449 1.00 2.38 H new ATOM 716 N ALA A 408 -4.660 -14.423 -7.620 1.00 2.15 N ATOM 717 CA ALA A 408 -3.288 -13.961 -7.456 1.00 2.35 C ATOM 718 C ALA A 408 -3.166 -12.455 -7.702 1.00 2.05 C ATOM 719 O ALA A 408 -2.479 -11.764 -6.950 1.00 1.99 O ATOM 720 CB ALA A 408 -2.358 -14.725 -8.389 1.00 2.76 C ATOM 0 H ALA A 408 -5.289 -13.732 -8.030 1.00 2.15 H new ATOM 0 HA ALA A 408 -2.995 -14.153 -6.424 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -1.336 -14.369 -8.256 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -2.405 -15.789 -8.158 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -2.666 -14.564 -9.422 1.00 2.76 H new ATOM 726 N PRO A 409 -3.804 -11.922 -8.775 1.00 1.99 N ATOM 727 CA PRO A 409 -3.737 -10.493 -9.113 1.00 1.80 C ATOM 728 C PRO A 409 -4.482 -9.591 -8.133 1.00 1.41 C ATOM 729 O PRO A 409 -5.237 -8.710 -8.543 1.00 1.86 O ATOM 730 CB PRO A 409 -4.372 -10.412 -10.508 1.00 2.10 C ATOM 731 CG PRO A 409 -4.454 -11.819 -10.991 1.00 2.49 C ATOM 732 CD PRO A 409 -4.608 -12.659 -9.761 1.00 2.27 C ATOM 0 HA PRO A 409 -2.708 -10.136 -9.073 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.360 -9.954 -10.463 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.768 -9.801 -11.179 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -5.300 -11.953 -11.666 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -3.557 -12.096 -11.545 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.651 -12.743 -9.454 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -4.237 -13.673 -9.912 1.00 2.27 H new ATOM 740 N ASP A 410 -4.251 -9.800 -6.842 1.00 0.92 N ATOM 741 CA ASP A 410 -4.886 -8.995 -5.809 1.00 0.79 C ATOM 742 C ASP A 410 -4.357 -7.565 -5.832 1.00 0.68 C ATOM 743 O ASP A 410 -3.178 -7.331 -6.099 1.00 0.93 O ATOM 744 CB ASP A 410 -4.665 -9.622 -4.431 1.00 1.18 C ATOM 745 CG ASP A 410 -3.196 -9.822 -4.101 1.00 1.62 C ATOM 746 OD1 ASP A 410 -2.347 -9.502 -4.960 1.00 1.99 O ATOM 747 OD2 ASP A 410 -2.891 -10.294 -2.986 1.00 2.14 O ATOM 0 H ASP A 410 -3.626 -10.523 -6.486 1.00 0.92 H new ATOM 0 HA ASP A 410 -5.957 -8.966 -6.012 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -5.120 -8.986 -3.671 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -5.176 -10.584 -4.389 1.00 1.18 H new ATOM 752 N GLU A 411 -5.241 -6.612 -5.556 1.00 0.54 N ATOM 753 CA GLU A 411 -4.879 -5.199 -5.548 1.00 0.45 C ATOM 754 C GLU A 411 -5.722 -4.440 -4.531 1.00 0.40 C ATOM 755 O GLU A 411 -6.880 -4.780 -4.302 1.00 0.42 O ATOM 756 CB GLU A 411 -5.073 -4.587 -6.940 1.00 0.49 C ATOM 757 CG GLU A 411 -4.214 -5.228 -8.019 1.00 0.58 C ATOM 758 CD GLU A 411 -4.438 -4.609 -9.385 1.00 1.47 C ATOM 759 OE1 GLU A 411 -4.205 -3.390 -9.530 1.00 2.08 O ATOM 760 OE2 GLU A 411 -4.845 -5.343 -10.309 1.00 2.10 O ATOM 0 H GLU A 411 -6.220 -6.794 -5.334 1.00 0.54 H new ATOM 0 HA GLU A 411 -3.828 -5.118 -5.269 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.122 -4.677 -7.223 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.846 -3.522 -6.893 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.163 -5.130 -7.748 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.433 -6.295 -8.067 1.00 0.58 H new ATOM 767 N TYR A 412 -5.139 -3.419 -3.914 1.00 0.38 N ATOM 768 CA TYR A 412 -5.856 -2.631 -2.917 1.00 0.35 C ATOM 769 C TYR A 412 -5.804 -1.141 -3.233 1.00 0.33 C ATOM 770 O TYR A 412 -4.727 -0.562 -3.376 1.00 0.34 O ATOM 771 CB TYR A 412 -5.277 -2.873 -1.519 1.00 0.39 C ATOM 772 CG TYR A 412 -5.607 -4.229 -0.931 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.248 -5.395 -1.597 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.280 -4.349 0.279 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.547 -6.638 -1.073 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.582 -5.589 0.810 1.00 0.61 C ATOM 777 CZ TYR A 412 -6.213 -6.714 0.167 1.00 0.62 C ATOM 778 OH TYR A 412 -6.512 -7.966 0.654 1.00 0.72 O ATOM 0 H TYR A 412 -4.179 -3.118 -4.084 1.00 0.38 H new ATOM 0 HA TYR A 412 -6.897 -2.953 -2.942 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.193 -2.764 -1.564 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -5.647 -2.099 -0.847 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.726 -5.328 -2.540 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.572 -3.458 0.814 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -5.275 -7.537 -1.605 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -7.117 -5.656 1.746 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.970 -7.881 1.516 1.00 0.72 H new ATOM 788 N TYR A 413 -6.979 -0.521 -3.313 1.00 0.33 N ATOM 789 CA TYR A 413 -7.078 0.908 -3.579 1.00 0.32 C ATOM 790 C TYR A 413 -6.431 1.673 -2.432 1.00 0.32 C ATOM 791 O TYR A 413 -6.426 1.196 -1.297 1.00 0.40 O ATOM 792 CB TYR A 413 -8.543 1.322 -3.715 1.00 0.36 C ATOM 793 CG TYR A 413 -8.738 2.719 -4.265 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.159 3.099 -5.470 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.505 3.656 -3.584 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.336 4.371 -5.979 1.00 0.44 C ATOM 797 CE2 TYR A 413 -9.688 4.930 -4.087 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.102 5.282 -5.283 1.00 0.46 C ATOM 799 OH TYR A 413 -9.282 6.550 -5.787 1.00 0.51 O ATOM 0 H TYR A 413 -7.877 -0.990 -3.197 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.564 1.137 -4.513 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.052 0.612 -4.366 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.021 1.257 -2.737 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.560 2.387 -6.018 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -9.966 3.384 -2.646 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.877 4.650 -6.916 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.288 5.646 -3.545 1.00 0.48 H new ATOM 0 HH TYR A 413 -9.848 7.067 -5.177 1.00 0.51 H new ATOM 809 N VAL A 414 -5.876 2.845 -2.711 1.00 0.33 N ATOM 810 CA VAL A 414 -5.231 3.614 -1.658 1.00 0.33 C ATOM 811 C VAL A 414 -5.109 5.097 -1.992 1.00 0.29 C ATOM 812 O VAL A 414 -4.673 5.477 -3.080 1.00 0.38 O ATOM 813 CB VAL A 414 -3.831 3.053 -1.345 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.947 3.087 -2.583 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.190 3.825 -0.203 1.00 1.15 C ATOM 0 H VAL A 414 -5.859 3.275 -3.636 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.876 3.520 -0.784 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.940 2.013 -1.036 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.963 2.686 -2.339 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.400 2.484 -3.370 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -2.844 4.116 -2.928 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.202 3.415 0.004 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.096 4.875 -0.481 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.812 3.740 0.688 1.00 1.15 H new ATOM 825 N HIS A 415 -5.474 5.924 -1.019 1.00 0.33 N ATOM 826 CA HIS A 415 -5.393 7.371 -1.149 1.00 0.32 C ATOM 827 C HIS A 415 -4.208 7.880 -0.340 1.00 0.32 C ATOM 828 O HIS A 415 -4.264 7.910 0.888 1.00 0.34 O ATOM 829 CB HIS A 415 -6.686 8.020 -0.645 1.00 0.37 C ATOM 830 CG HIS A 415 -6.660 9.517 -0.658 1.00 0.44 C ATOM 831 ND1 HIS A 415 -6.508 10.259 -1.810 1.00 0.50 N ATOM 832 CD2 HIS A 415 -6.771 10.414 0.352 1.00 0.54 C ATOM 833 CE1 HIS A 415 -6.524 11.546 -1.509 1.00 0.60 C ATOM 834 NE2 HIS A 415 -6.683 11.666 -0.205 1.00 0.62 N ATOM 0 H HIS A 415 -5.834 5.609 -0.118 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.259 7.632 -2.199 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.517 7.676 -1.260 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -6.879 7.679 0.372 1.00 0.37 H new ATOM 0 HD2 HIS A 415 -6.904 10.186 1.399 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -6.424 12.361 -2.211 1.00 0.60 H new ATOM 0 HE2 HIS A 415 -6.733 12.547 0.307 1.00 0.62 H new ATOM 843 N TYR A 416 -3.133 8.274 -1.018 1.00 0.37 N ATOM 844 CA TYR A 416 -1.959 8.759 -0.328 1.00 0.40 C ATOM 845 C TYR A 416 -2.301 10.010 0.458 1.00 0.45 C ATOM 846 O TYR A 416 -2.415 11.105 -0.092 1.00 0.57 O ATOM 847 CB TYR A 416 -0.821 9.006 -1.318 1.00 0.46 C ATOM 848 CG TYR A 416 -0.326 7.740 -1.991 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.192 6.926 -2.711 1.00 0.53 C ATOM 850 CD2 TYR A 416 1.007 7.360 -1.903 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.743 5.772 -3.323 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.463 6.208 -2.514 1.00 0.54 C ATOM 853 CZ TYR A 416 0.584 5.417 -3.222 1.00 0.57 C ATOM 854 OH TYR A 416 1.034 4.269 -3.831 1.00 0.65 O ATOM 0 H TYR A 416 -3.058 8.264 -2.035 1.00 0.37 H new ATOM 0 HA TYR A 416 -1.618 8.002 0.378 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.159 9.707 -2.081 1.00 0.46 H new ATOM 0 HB3 TYR A 416 0.010 9.480 -0.795 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.233 7.200 -2.793 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.699 7.976 -1.347 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.430 5.151 -3.879 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.503 5.929 -2.437 1.00 0.54 H new ATOM 0 HH TYR A 416 1.994 4.165 -3.664 1.00 0.65 H new ATOM 864 N VAL A 417 -2.492 9.811 1.754 1.00 0.45 N ATOM 865 CA VAL A 417 -2.857 10.878 2.667 1.00 0.55 C ATOM 866 C VAL A 417 -1.964 12.097 2.495 1.00 0.66 C ATOM 867 O VAL A 417 -0.740 12.013 2.597 1.00 1.34 O ATOM 868 CB VAL A 417 -2.799 10.366 4.117 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.265 11.419 5.108 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.643 9.114 4.236 1.00 1.01 C ATOM 0 H VAL A 417 -2.397 8.899 2.201 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.876 11.188 2.435 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.762 10.137 4.360 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -3.208 11.017 6.120 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.626 12.299 5.031 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.295 11.698 4.885 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.606 8.746 5.261 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.675 9.344 3.970 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.257 8.349 3.562 1.00 1.01 H new ATOM 880 N GLY A 418 -2.601 13.231 2.232 1.00 0.71 N ATOM 881 CA GLY A 418 -1.875 14.474 2.042 1.00 0.82 C ATOM 882 C GLY A 418 -1.334 14.648 0.632 1.00 0.72 C ATOM 883 O GLY A 418 -1.245 15.771 0.136 1.00 0.76 O ATOM 0 H GLY A 418 -3.614 13.313 2.146 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.534 15.310 2.276 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -1.046 14.514 2.749 1.00 0.82 H new ATOM 887 N LEU A 419 -0.951 13.546 -0.012 1.00 0.66 N ATOM 888 CA LEU A 419 -0.393 13.609 -1.363 1.00 0.60 C ATOM 889 C LEU A 419 -1.428 14.030 -2.402 1.00 0.59 C ATOM 890 O LEU A 419 -2.560 14.385 -2.073 1.00 0.76 O ATOM 891 CB LEU A 419 0.205 12.261 -1.777 1.00 0.58 C ATOM 892 CG LEU A 419 1.221 11.650 -0.810 1.00 0.78 C ATOM 893 CD1 LEU A 419 2.084 10.626 -1.530 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.084 12.724 -0.181 1.00 1.40 C ATOM 0 H LEU A 419 -1.016 12.605 0.376 1.00 0.66 H new ATOM 0 HA LEU A 419 0.390 14.366 -1.330 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.611 11.551 -1.912 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.685 12.382 -2.748 1.00 0.58 H new ATOM 0 HG LEU A 419 0.674 11.147 -0.012 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.802 10.199 -0.830 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.451 9.833 -1.929 1.00 1.60 H new ATOM 0 HD13 LEU A 419 2.618 11.110 -2.348 1.00 1.60 H new ATOM 0 HD21 LEU A 419 2.798 12.264 0.502 1.00 1.40 H new ATOM 0 HD22 LEU A 419 2.623 13.261 -0.961 1.00 1.40 H new ATOM 0 HD23 LEU A 419 1.453 13.422 0.370 1.00 1.40 H new ATOM 906 N ASN A 420 -1.010 13.975 -3.667 1.00 0.61 N ATOM 907 CA ASN A 420 -1.864 14.334 -4.794 1.00 0.63 C ATOM 908 C ASN A 420 -2.904 13.251 -5.060 1.00 0.56 C ATOM 909 O ASN A 420 -2.639 12.063 -4.878 1.00 0.56 O ATOM 910 CB ASN A 420 -1.011 14.551 -6.047 1.00 0.75 C ATOM 911 CG ASN A 420 0.001 15.666 -5.874 1.00 1.57 C ATOM 912 OD1 ASN A 420 0.858 15.613 -4.992 1.00 2.53 O ATOM 913 ND2 ASN A 420 -0.093 16.686 -6.720 1.00 1.98 N ATOM 0 H ASN A 420 -0.071 13.681 -3.936 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.386 15.258 -4.544 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.489 13.626 -6.292 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -1.662 14.783 -6.890 1.00 0.75 H new ATOM 0 HD21 ASN A 420 0.561 17.466 -6.653 1.00 1.98 H new ATOM 0 HD22 ASN A 420 -0.819 16.689 -7.436 1.00 1.98 H new ATOM 920 N ARG A 421 -4.090 13.669 -5.495 1.00 0.62 N ATOM 921 CA ARG A 421 -5.170 12.734 -5.787 1.00 0.67 C ATOM 922 C ARG A 421 -4.816 11.825 -6.963 1.00 0.66 C ATOM 923 O ARG A 421 -5.130 10.635 -6.953 1.00 0.69 O ATOM 924 CB ARG A 421 -6.469 13.489 -6.079 1.00 0.87 C ATOM 925 CG ARG A 421 -6.953 14.336 -4.914 1.00 1.09 C ATOM 926 CD ARG A 421 -8.323 14.934 -5.190 1.00 1.51 C ATOM 927 NE ARG A 421 -9.338 13.904 -5.415 1.00 2.25 N ATOM 928 CZ ARG A 421 -9.709 13.014 -4.496 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.164 13.034 -3.287 1.00 3.28 N ATOM 930 NH2 ARG A 421 -10.631 12.105 -4.786 1.00 3.98 N ATOM 0 H ARG A 421 -4.326 14.649 -5.653 1.00 0.62 H new ATOM 0 HA ARG A 421 -5.313 12.109 -4.906 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.319 14.131 -6.947 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -7.246 12.771 -6.343 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.997 13.725 -4.012 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -6.238 15.136 -4.723 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -8.622 15.559 -4.348 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.266 15.583 -6.064 1.00 1.51 H new ATOM 0 HE ARG A 421 -9.788 13.865 -6.330 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -8.457 13.733 -3.058 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -9.451 12.350 -2.587 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -11.056 12.087 -5.713 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -10.915 11.424 -4.082 1.00 3.98 H new ATOM 944 N ARG A 422 -4.164 12.389 -7.977 1.00 0.71 N ATOM 945 CA ARG A 422 -3.776 11.618 -9.155 1.00 0.83 C ATOM 946 C ARG A 422 -2.899 10.429 -8.770 1.00 0.72 C ATOM 947 O ARG A 422 -2.986 9.360 -9.376 1.00 0.77 O ATOM 948 CB ARG A 422 -3.042 12.507 -10.163 1.00 1.01 C ATOM 949 CG ARG A 422 -1.801 13.181 -9.601 1.00 1.19 C ATOM 950 CD ARG A 422 -1.059 13.955 -10.680 1.00 1.49 C ATOM 951 NE ARG A 422 -1.905 14.960 -11.314 1.00 2.09 N ATOM 952 CZ ARG A 422 -1.504 15.738 -12.315 1.00 2.79 C ATOM 953 NH1 ARG A 422 -0.274 15.626 -12.799 1.00 3.07 N ATOM 954 NH2 ARG A 422 -2.336 16.630 -12.837 1.00 3.71 N ATOM 0 H ARG A 422 -3.894 13.372 -8.007 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.686 11.237 -9.618 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.757 11.903 -11.025 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.728 13.273 -10.524 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -2.085 13.857 -8.795 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -1.140 12.430 -9.169 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -0.186 14.440 -10.243 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.692 13.261 -11.436 1.00 1.49 H new ATOM 0 HE ARG A 422 -2.859 15.072 -10.970 1.00 2.09 H new ATOM 0 HH11 ARG A 422 0.369 14.941 -12.403 1.00 3.07 H new ATOM 0 HH12 ARG A 422 0.028 16.225 -13.567 1.00 3.07 H new ATOM 0 HH21 ARG A 422 -3.284 16.719 -12.470 1.00 3.71 H new ATOM 0 HH22 ARG A 422 -2.028 17.227 -13.605 1.00 3.71 H new ATOM 968 N LEU A 423 -2.054 10.623 -7.762 1.00 0.65 N ATOM 969 CA LEU A 423 -1.158 9.569 -7.294 1.00 0.62 C ATOM 970 C LEU A 423 -1.938 8.323 -6.886 1.00 0.52 C ATOM 971 O LEU A 423 -1.459 7.200 -7.043 1.00 0.53 O ATOM 972 CB LEU A 423 -0.328 10.066 -6.107 1.00 0.69 C ATOM 973 CG LEU A 423 0.537 11.298 -6.380 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.293 11.702 -5.125 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.508 11.032 -7.520 1.00 1.49 C ATOM 0 H LEU A 423 -1.970 11.502 -7.252 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.493 9.307 -8.117 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -1.004 10.293 -5.283 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.320 9.255 -5.774 1.00 0.69 H new ATOM 0 HG LEU A 423 -0.118 12.118 -6.673 1.00 0.89 H new ATOM 0 HD11 LEU A 423 1.904 12.580 -5.335 1.00 1.31 H new ATOM 0 HD12 LEU A 423 0.583 11.935 -4.332 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.935 10.881 -4.807 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.113 11.921 -7.697 1.00 1.49 H new ATOM 0 HD22 LEU A 423 2.158 10.197 -7.257 1.00 1.49 H new ATOM 0 HD23 LEU A 423 0.950 10.787 -8.424 1.00 1.49 H new ATOM 987 N ASP A 424 -3.135 8.534 -6.345 1.00 0.49 N ATOM 988 CA ASP A 424 -3.981 7.433 -5.893 1.00 0.50 C ATOM 989 C ASP A 424 -4.185 6.390 -6.988 1.00 0.45 C ATOM 990 O ASP A 424 -4.331 6.725 -8.164 1.00 0.49 O ATOM 991 CB ASP A 424 -5.336 7.962 -5.424 1.00 0.66 C ATOM 992 CG ASP A 424 -5.199 9.080 -4.411 1.00 0.81 C ATOM 993 OD1 ASP A 424 -4.422 8.917 -3.450 1.00 0.97 O ATOM 994 OD2 ASP A 424 -5.879 10.114 -4.572 1.00 1.20 O ATOM 0 H ASP A 424 -3.542 9.459 -6.209 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.471 6.951 -5.059 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.900 8.322 -6.284 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -5.910 7.146 -4.985 1.00 0.66 H new ATOM 999 N GLY A 425 -4.200 5.123 -6.581 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.391 4.033 -7.520 1.00 0.50 C ATOM 1001 C GLY A 425 -4.570 2.702 -6.815 1.00 0.45 C ATOM 1002 O GLY A 425 -5.203 2.634 -5.761 1.00 0.70 O ATOM 0 H GLY A 425 -4.082 4.832 -5.611 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.265 4.236 -8.139 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.533 3.976 -8.190 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.007 1.641 -7.387 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.110 0.313 -6.789 1.00 0.44 C ATOM 1008 C TRP A 426 -2.726 -0.286 -6.564 1.00 0.45 C ATOM 1009 O TRP A 426 -1.835 -0.159 -7.405 1.00 0.57 O ATOM 1010 CB TRP A 426 -4.965 -0.610 -7.663 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.346 -0.081 -7.901 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -6.700 0.929 -8.749 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.555 -0.516 -7.269 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.055 1.140 -8.693 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.603 0.268 -7.790 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.856 -1.494 -6.316 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -9.927 0.102 -7.390 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.170 -1.656 -5.919 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.191 -0.862 -6.455 1.00 0.59 C ATOM 0 H TRP A 426 -3.478 1.674 -8.258 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.599 0.413 -5.820 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.468 -0.755 -8.622 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.034 -1.589 -7.188 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.013 1.482 -9.373 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -8.570 1.833 -9.236 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.075 -2.112 -5.897 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -10.717 0.712 -7.803 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.413 -2.408 -5.183 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.208 -1.013 -6.124 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.548 -0.921 -5.409 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.269 -1.523 -5.046 1.00 0.46 C ATOM 1032 C VAL A 427 -1.330 -3.045 -5.076 1.00 0.51 C ATOM 1033 O VAL A 427 -2.405 -3.636 -4.982 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.842 -1.090 -3.635 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.829 0.425 -3.518 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.762 -1.708 -2.599 1.00 0.85 C ATOM 0 H VAL A 427 -3.278 -1.032 -4.705 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.545 -1.177 -5.783 1.00 0.46 H new ATOM 0 HB VAL A 427 0.172 -1.446 -3.452 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.524 0.710 -2.511 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.126 0.840 -4.241 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.827 0.814 -3.718 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.450 -1.395 -1.603 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.786 -1.380 -2.779 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.712 -2.795 -2.670 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.165 -3.671 -5.200 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.098 -5.118 -5.232 1.00 0.65 C ATOM 1048 C GLY A 428 -0.140 -5.746 -3.847 1.00 0.79 C ATOM 1049 O GLY A 428 0.569 -6.718 -3.588 1.00 1.72 O ATOM 0 H GLY A 428 0.736 -3.200 -5.279 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -0.929 -5.502 -5.824 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.820 -5.423 -5.735 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.980 -5.196 -2.961 1.00 0.54 N ATOM 1054 CA ARG A 429 -1.125 -5.714 -1.595 1.00 0.54 C ATOM 1055 C ARG A 429 0.126 -5.480 -0.744 1.00 0.49 C ATOM 1056 O ARG A 429 0.113 -4.660 0.173 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.468 -7.210 -1.623 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.402 -7.886 -0.261 1.00 0.83 C ATOM 1059 CD ARG A 429 -2.378 -7.270 0.729 1.00 0.85 C ATOM 1060 NE ARG A 429 -2.206 -7.814 2.074 1.00 1.20 N ATOM 1061 CZ ARG A 429 -1.135 -7.588 2.832 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -0.172 -6.780 2.404 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -1.036 -8.152 4.027 1.00 1.65 N ATOM 0 H ARG A 429 -1.571 -4.390 -3.167 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.942 -5.161 -1.132 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.471 -7.335 -2.031 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -0.783 -7.717 -2.302 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.621 -8.948 -0.372 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.389 -7.809 0.133 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -2.237 -6.189 0.754 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.399 -7.450 0.392 1.00 0.85 H new ATOM 0 HE ARG A 429 -2.949 -8.401 2.454 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -0.251 -6.330 1.492 1.00 1.73 H new ATOM 0 HH12 ARG A 429 0.647 -6.609 2.987 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -1.781 -8.760 4.367 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -0.215 -7.978 4.607 1.00 1.65 H new ATOM 1077 N HIS A 430 1.185 -6.231 -1.031 1.00 0.49 N ATOM 1078 CA HIS A 430 2.442 -6.144 -0.283 1.00 0.53 C ATOM 1079 C HIS A 430 2.916 -4.701 -0.071 1.00 0.47 C ATOM 1080 O HIS A 430 3.786 -4.451 0.764 1.00 0.49 O ATOM 1081 CB HIS A 430 3.530 -6.950 -0.994 1.00 0.65 C ATOM 1082 CG HIS A 430 3.795 -6.500 -2.398 1.00 0.77 C ATOM 1083 ND1 HIS A 430 4.250 -5.238 -2.712 1.00 1.20 N ATOM 1084 CD2 HIS A 430 3.672 -7.157 -3.575 1.00 1.47 C ATOM 1085 CE1 HIS A 430 4.394 -5.136 -4.022 1.00 1.31 C ATOM 1086 NE2 HIS A 430 4.050 -6.287 -4.568 1.00 1.46 N ATOM 0 H HIS A 430 1.200 -6.916 -1.786 1.00 0.49 H new ATOM 0 HA HIS A 430 2.250 -6.562 0.705 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.454 -6.881 -0.420 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.241 -8.001 -1.008 1.00 0.65 H new ATOM 0 HD2 HIS A 430 3.339 -8.176 -3.708 1.00 1.47 H new ATOM 0 HE1 HIS A 430 4.735 -4.260 -4.554 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.063 -6.497 -5.566 1.00 1.46 H new ATOM 1095 N ARG A 431 2.360 -3.758 -0.824 1.00 0.43 N ATOM 1096 CA ARG A 431 2.754 -2.356 -0.698 1.00 0.41 C ATOM 1097 C ARG A 431 2.111 -1.695 0.521 1.00 0.37 C ATOM 1098 O ARG A 431 2.729 -0.850 1.168 1.00 0.57 O ATOM 1099 CB ARG A 431 2.394 -1.582 -1.967 1.00 0.44 C ATOM 1100 CG ARG A 431 3.102 -2.095 -3.211 1.00 0.53 C ATOM 1101 CD ARG A 431 2.733 -1.282 -4.442 1.00 0.64 C ATOM 1102 NE ARG A 431 3.395 -1.778 -5.646 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.164 -1.299 -6.865 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.281 -0.326 -7.043 1.00 2.55 N ATOM 1105 NH2 ARG A 431 3.814 -1.796 -7.908 1.00 2.84 N ATOM 0 H ARG A 431 1.640 -3.935 -1.524 1.00 0.43 H new ATOM 0 HA ARG A 431 3.835 -2.332 -0.560 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.317 -1.637 -2.123 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.643 -0.530 -1.825 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.181 -2.056 -3.058 1.00 0.53 H new ATOM 0 HG3 ARG A 431 2.841 -3.141 -3.373 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.653 -1.311 -4.585 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.006 -0.239 -4.282 1.00 0.64 H new ATOM 0 HE ARG A 431 4.072 -2.534 -5.546 1.00 1.39 H new ATOM 0 HH11 ARG A 431 1.777 0.057 -6.244 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.106 0.039 -7.979 1.00 2.55 H new ATOM 0 HH21 ARG A 431 4.492 -2.547 -7.776 1.00 2.84 H new ATOM 0 HH22 ARG A 431 3.636 -1.428 -8.842 1.00 2.84 H new ATOM 1119 N ILE A 432 0.876 -2.075 0.836 1.00 0.39 N ATOM 1120 CA ILE A 432 0.177 -1.503 1.985 1.00 0.36 C ATOM 1121 C ILE A 432 0.472 -2.291 3.257 1.00 0.38 C ATOM 1122 O ILE A 432 0.394 -3.520 3.271 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.350 -1.451 1.766 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.679 -0.548 0.578 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -2.048 -0.961 3.026 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -3.132 -0.602 0.162 1.00 0.46 C ATOM 0 H ILE A 432 0.341 -2.771 0.317 1.00 0.39 H new ATOM 0 HA ILE A 432 0.547 -0.484 2.095 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.710 -2.456 1.546 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.420 0.480 0.831 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -1.056 -0.835 -0.269 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -3.124 -0.929 2.857 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.830 -1.640 3.850 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.690 0.038 3.275 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.293 0.063 -0.686 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.391 -1.622 -0.123 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.761 -0.287 0.995 1.00 0.46 H new ATOM 1138 N SER A 433 0.808 -1.568 4.323 1.00 0.34 N ATOM 1139 CA SER A 433 1.119 -2.184 5.609 1.00 0.38 C ATOM 1140 C SER A 433 1.131 -1.140 6.720 1.00 0.36 C ATOM 1141 O SER A 433 1.632 -0.030 6.538 1.00 0.34 O ATOM 1142 CB SER A 433 2.482 -2.875 5.546 1.00 0.41 C ATOM 1143 OG SER A 433 2.467 -3.971 4.650 1.00 0.53 O ATOM 0 H SER A 433 0.872 -0.550 4.320 1.00 0.34 H new ATOM 0 HA SER A 433 0.347 -2.922 5.827 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.241 -2.158 5.233 1.00 0.41 H new ATOM 0 HB3 SER A 433 2.762 -3.221 6.541 1.00 0.41 H new ATOM 0 HG SER A 433 1.560 -4.094 4.299 1.00 0.53 H new ATOM 1149 N ASP A 434 0.580 -1.507 7.874 1.00 0.43 N ATOM 1150 CA ASP A 434 0.530 -0.607 9.020 1.00 0.48 C ATOM 1151 C ASP A 434 1.936 -0.230 9.485 1.00 0.48 C ATOM 1152 O ASP A 434 2.129 0.809 10.119 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.262 -1.244 10.164 1.00 0.60 C ATOM 1154 CG ASP A 434 0.261 -2.615 10.544 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.432 -2.706 10.969 1.00 1.35 O ATOM 1156 OD2 ASP A 434 -0.499 -3.596 10.418 1.00 1.12 O ATOM 0 H ASP A 434 0.162 -2.423 8.039 1.00 0.43 H new ATOM 0 HA ASP A 434 0.023 0.307 8.711 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.223 -0.590 11.035 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.309 -1.327 9.874 1.00 0.60 H new ATOM 1161 N ASN A 435 2.915 -1.072 9.161 1.00 0.43 N ATOM 1162 CA ASN A 435 4.302 -0.814 9.544 1.00 0.47 C ATOM 1163 C ASN A 435 5.141 -0.429 8.327 1.00 0.39 C ATOM 1164 O ASN A 435 5.092 -1.090 7.291 1.00 0.38 O ATOM 1165 CB ASN A 435 4.917 -2.039 10.225 1.00 0.59 C ATOM 1166 CG ASN A 435 4.228 -2.391 11.529 1.00 1.26 C ATOM 1167 OD1 ASN A 435 4.099 -1.554 12.423 1.00 2.16 O ATOM 1168 ND2 ASN A 435 3.794 -3.640 11.649 1.00 1.81 N ATOM 0 H ASN A 435 2.775 -1.935 8.636 1.00 0.43 H new ATOM 0 HA ASN A 435 4.299 0.018 10.248 1.00 0.47 H new ATOM 0 HB2 ASN A 435 4.862 -2.892 9.548 1.00 0.59 H new ATOM 0 HB3 ASN A 435 5.974 -1.851 10.416 1.00 0.59 H new ATOM 0 HD21 ASN A 435 3.332 -3.939 12.508 1.00 1.81 H new ATOM 0 HD22 ASN A 435 3.922 -4.300 10.882 1.00 1.81 H new ATOM 1175 N ALA A 436 5.903 0.651 8.466 1.00 0.49 N ATOM 1176 CA ALA A 436 6.753 1.142 7.386 1.00 0.55 C ATOM 1177 C ALA A 436 8.008 0.288 7.215 1.00 0.55 C ATOM 1178 O ALA A 436 8.526 0.152 6.107 1.00 0.54 O ATOM 1179 CB ALA A 436 7.134 2.592 7.638 1.00 0.75 C ATOM 0 H ALA A 436 5.949 1.206 9.321 1.00 0.49 H new ATOM 0 HA ALA A 436 6.182 1.074 6.460 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.768 2.948 6.826 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.232 3.202 7.688 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.675 2.667 8.581 1.00 0.75 H new ATOM 1185 N ASP A 437 8.502 -0.269 8.320 1.00 0.65 N ATOM 1186 CA ASP A 437 9.707 -1.097 8.291 1.00 0.75 C ATOM 1187 C ASP A 437 9.596 -2.209 7.250 1.00 0.71 C ATOM 1188 O ASP A 437 10.559 -2.509 6.544 1.00 0.78 O ATOM 1189 CB ASP A 437 9.961 -1.705 9.671 1.00 0.92 C ATOM 1190 CG ASP A 437 10.169 -0.649 10.740 1.00 1.02 C ATOM 1191 OD1 ASP A 437 9.247 0.166 10.954 1.00 1.34 O ATOM 1192 OD2 ASP A 437 11.253 -0.637 11.360 1.00 1.34 O ATOM 0 H ASP A 437 8.087 -0.162 9.246 1.00 0.65 H new ATOM 0 HA ASP A 437 10.544 -0.456 8.015 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.117 -2.336 9.948 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.839 -2.349 9.625 1.00 0.92 H new ATOM 1197 N ASP A 438 8.416 -2.813 7.161 1.00 0.68 N ATOM 1198 CA ASP A 438 8.171 -3.890 6.208 1.00 0.73 C ATOM 1199 C ASP A 438 8.342 -3.404 4.777 1.00 0.73 C ATOM 1200 O ASP A 438 8.586 -4.193 3.865 1.00 1.35 O ATOM 1201 CB ASP A 438 6.764 -4.458 6.399 1.00 0.88 C ATOM 1202 CG ASP A 438 6.561 -5.044 7.784 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.296 -5.987 8.142 1.00 1.36 O ATOM 1204 OD2 ASP A 438 5.667 -4.558 8.508 1.00 1.56 O ATOM 0 H ASP A 438 7.611 -2.574 7.740 1.00 0.68 H new ATOM 0 HA ASP A 438 8.903 -4.676 6.394 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.031 -3.670 6.230 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.582 -5.229 5.651 1.00 0.88 H new ATOM 1209 N LEU A 439 8.189 -2.104 4.588 1.00 0.54 N ATOM 1210 CA LEU A 439 8.302 -1.506 3.268 1.00 0.53 C ATOM 1211 C LEU A 439 9.723 -1.039 2.963 1.00 0.61 C ATOM 1212 O LEU A 439 10.495 -1.757 2.327 1.00 0.86 O ATOM 1213 CB LEU A 439 7.314 -0.350 3.139 1.00 0.52 C ATOM 1214 CG LEU A 439 5.857 -0.777 2.970 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.356 -1.521 4.194 1.00 1.12 C ATOM 1216 CD2 LEU A 439 4.979 0.428 2.685 1.00 1.10 C ATOM 0 H LEU A 439 7.985 -1.440 5.335 1.00 0.54 H new ATOM 0 HA LEU A 439 8.060 -2.274 2.533 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.394 0.280 4.025 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.601 0.263 2.285 1.00 0.52 H new ATOM 0 HG LEU A 439 5.804 -1.457 2.120 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.316 -1.811 4.043 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.963 -2.413 4.351 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.429 -0.874 5.068 1.00 1.12 H new ATOM 0 HD21 LEU A 439 3.945 0.105 2.567 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.047 1.132 3.514 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.314 0.913 1.768 1.00 1.10 H new ATOM 1228 N GLY A 440 10.060 0.170 3.404 1.00 0.59 N ATOM 1229 CA GLY A 440 11.384 0.705 3.145 1.00 0.77 C ATOM 1230 C GLY A 440 11.775 1.810 4.107 1.00 0.96 C ATOM 1231 O GLY A 440 12.099 2.920 3.687 1.00 1.36 O ATOM 0 H GLY A 440 9.443 0.786 3.934 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.115 -0.101 3.210 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.422 1.088 2.125 1.00 0.77 H new ATOM 1235 N GLY A 441 11.751 1.504 5.401 1.00 0.93 N ATOM 1236 CA GLY A 441 12.117 2.490 6.401 1.00 1.24 C ATOM 1237 C GLY A 441 11.138 3.644 6.475 1.00 1.14 C ATOM 1238 O GLY A 441 9.930 3.439 6.590 1.00 1.83 O ATOM 0 H GLY A 441 11.485 0.593 5.774 1.00 0.93 H new ATOM 0 HA2 GLY A 441 12.176 2.007 7.376 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.111 2.877 6.176 1.00 1.24 H new ATOM 1242 N ILE A 442 11.666 4.863 6.415 1.00 1.10 N ATOM 1243 CA ILE A 442 10.842 6.063 6.485 1.00 1.03 C ATOM 1244 C ILE A 442 11.286 7.090 5.447 1.00 1.05 C ATOM 1245 O ILE A 442 12.476 7.213 5.163 1.00 1.39 O ATOM 1246 CB ILE A 442 10.906 6.704 7.890 1.00 1.26 C ATOM 1247 CG1 ILE A 442 10.391 5.725 8.951 1.00 1.41 C ATOM 1248 CG2 ILE A 442 10.112 8.003 7.928 1.00 1.38 C ATOM 1249 CD1 ILE A 442 8.934 5.346 8.782 1.00 1.48 C ATOM 0 H ILE A 442 12.665 5.045 6.318 1.00 1.10 H new ATOM 0 HA ILE A 442 9.815 5.761 6.278 1.00 1.03 H new ATOM 0 HB ILE A 442 11.947 6.936 8.112 1.00 1.26 H new ATOM 0 HG12 ILE A 442 10.997 4.820 8.921 1.00 1.41 H new ATOM 0 HG13 ILE A 442 10.529 6.168 9.937 1.00 1.41 H new ATOM 0 HG21 ILE A 442 10.171 8.436 8.926 1.00 1.38 H new ATOM 0 HG22 ILE A 442 10.526 8.704 7.203 1.00 1.38 H new ATOM 0 HG23 ILE A 442 9.070 7.800 7.682 1.00 1.38 H new ATOM 0 HD11 ILE A 442 8.645 4.651 9.570 1.00 1.48 H new ATOM 0 HD12 ILE A 442 8.316 6.242 8.843 1.00 1.48 H new ATOM 0 HD13 ILE A 442 8.792 4.872 7.811 1.00 1.48 H new ATOM 1261 N THR A 443 10.311 7.814 4.893 1.00 1.13 N ATOM 1262 CA THR A 443 10.554 8.848 3.882 1.00 1.36 C ATOM 1263 C THR A 443 11.434 8.356 2.743 1.00 1.47 C ATOM 1264 O THR A 443 11.856 7.202 2.711 1.00 2.20 O ATOM 1265 CB THR A 443 11.156 10.137 4.492 1.00 2.21 C ATOM 1266 OG1 THR A 443 11.086 11.206 3.541 1.00 3.05 O ATOM 1267 CG2 THR A 443 12.605 9.940 4.911 1.00 2.78 C ATOM 0 H THR A 443 9.326 7.700 5.133 1.00 1.13 H new ATOM 0 HA THR A 443 9.573 9.088 3.472 1.00 1.36 H new ATOM 0 HB THR A 443 10.572 10.382 5.379 1.00 2.21 H new ATOM 0 HG1 THR A 443 11.467 12.019 3.934 1.00 3.05 H new ATOM 0 HG21 THR A 443 12.991 10.868 5.334 1.00 2.78 H new ATOM 0 HG22 THR A 443 12.663 9.148 5.658 1.00 2.78 H new ATOM 0 HG23 THR A 443 13.201 9.663 4.041 1.00 2.78 H new ATOM 1275 N VAL A 444 11.678 9.248 1.795 1.00 1.90 N ATOM 1276 CA VAL A 444 12.476 8.938 0.628 1.00 2.70 C ATOM 1277 C VAL A 444 13.874 8.449 0.998 1.00 3.02 C ATOM 1278 O VAL A 444 14.573 9.061 1.807 1.00 3.60 O ATOM 1279 CB VAL A 444 12.592 10.168 -0.284 1.00 3.53 C ATOM 1280 CG1 VAL A 444 11.220 10.591 -0.788 1.00 4.18 C ATOM 1281 CG2 VAL A 444 13.273 11.317 0.447 1.00 4.02 C ATOM 0 H VAL A 444 11.327 10.205 1.817 1.00 1.90 H new ATOM 0 HA VAL A 444 11.966 8.132 0.101 1.00 2.70 H new ATOM 0 HB VAL A 444 13.206 9.900 -1.144 1.00 3.53 H new ATOM 0 HG11 VAL A 444 11.322 11.464 -1.433 1.00 4.18 H new ATOM 0 HG12 VAL A 444 10.772 9.773 -1.353 1.00 4.18 H new ATOM 0 HG13 VAL A 444 10.581 10.839 0.060 1.00 4.18 H new ATOM 0 HG21 VAL A 444 13.345 12.179 -0.217 1.00 4.02 H new ATOM 0 HG22 VAL A 444 12.689 11.585 1.327 1.00 4.02 H new ATOM 0 HG23 VAL A 444 14.273 11.011 0.754 1.00 4.02 H new ATOM 1291 N LEU A 445 14.270 7.342 0.383 1.00 3.13 N ATOM 1292 CA LEU A 445 15.583 6.751 0.618 1.00 3.83 C ATOM 1293 C LEU A 445 16.095 6.062 -0.653 1.00 4.75 C ATOM 1294 O LEU A 445 16.337 4.855 -0.669 1.00 4.99 O ATOM 1295 CB LEU A 445 15.536 5.759 1.788 1.00 3.87 C ATOM 1296 CG LEU A 445 14.677 4.505 1.573 1.00 3.48 C ATOM 1297 CD1 LEU A 445 14.893 3.513 2.705 1.00 3.82 C ATOM 1298 CD2 LEU A 445 13.205 4.871 1.467 1.00 3.70 C ATOM 0 H LEU A 445 13.696 6.831 -0.288 1.00 3.13 H new ATOM 0 HA LEU A 445 16.275 7.551 0.882 1.00 3.83 H new ATOM 0 HB2 LEU A 445 16.555 5.443 2.012 1.00 3.87 H new ATOM 0 HB3 LEU A 445 15.164 6.283 2.668 1.00 3.87 H new ATOM 0 HG LEU A 445 14.983 4.039 0.636 1.00 3.48 H new ATOM 0 HD11 LEU A 445 14.277 2.630 2.537 1.00 3.82 H new ATOM 0 HD12 LEU A 445 15.943 3.222 2.738 1.00 3.82 H new ATOM 0 HD13 LEU A 445 14.614 3.975 3.652 1.00 3.82 H new ATOM 0 HD21 LEU A 445 12.615 3.967 1.315 1.00 3.70 H new ATOM 0 HD22 LEU A 445 12.885 5.363 2.386 1.00 3.70 H new ATOM 0 HD23 LEU A 445 13.058 5.546 0.624 1.00 3.70 H new ATOM 1310 N PRO A 446 16.262 6.832 -1.743 1.00 5.56 N ATOM 1311 CA PRO A 446 16.735 6.302 -3.020 1.00 6.59 C ATOM 1312 C PRO A 446 18.253 6.161 -3.082 1.00 7.07 C ATOM 1313 O PRO A 446 18.986 7.074 -2.704 1.00 7.26 O ATOM 1314 CB PRO A 446 16.249 7.345 -4.022 1.00 7.40 C ATOM 1315 CG PRO A 446 16.237 8.630 -3.265 1.00 6.97 C ATOM 1316 CD PRO A 446 16.005 8.283 -1.813 1.00 5.82 C ATOM 0 HA PRO A 446 16.363 5.295 -3.206 1.00 6.59 H new ATOM 0 HB2 PRO A 446 16.912 7.402 -4.886 1.00 7.40 H new ATOM 0 HB3 PRO A 446 15.256 7.099 -4.398 1.00 7.40 H new ATOM 0 HG2 PRO A 446 17.181 9.160 -3.389 1.00 6.97 H new ATOM 0 HG3 PRO A 446 15.451 9.289 -3.635 1.00 6.97 H new ATOM 0 HD2 PRO A 446 16.677 8.839 -1.158 1.00 5.82 H new ATOM 0 HD3 PRO A 446 14.988 8.523 -1.504 1.00 5.82 H new ATOM 1324 N ALA A 447 18.709 5.010 -3.574 1.00 7.52 N ATOM 1325 CA ALA A 447 20.137 4.726 -3.710 1.00 8.19 C ATOM 1326 C ALA A 447 20.844 4.696 -2.353 1.00 8.83 C ATOM 1327 O ALA A 447 20.706 5.618 -1.549 1.00 9.06 O ATOM 1328 CB ALA A 447 20.794 5.747 -4.628 1.00 8.42 C ATOM 0 H ALA A 447 18.103 4.252 -3.888 1.00 7.52 H new ATOM 0 HA ALA A 447 20.234 3.734 -4.152 1.00 8.19 H new ATOM 0 HB1 ALA A 447 21.857 5.523 -4.720 1.00 8.42 H new ATOM 0 HB2 ALA A 447 20.328 5.704 -5.612 1.00 8.42 H new ATOM 0 HB3 ALA A 447 20.669 6.746 -4.210 1.00 8.42 H new ATOM 1334 N PRO A 448 21.627 3.633 -2.087 1.00 9.38 N ATOM 1335 CA PRO A 448 22.368 3.489 -0.829 1.00 10.23 C ATOM 1336 C PRO A 448 23.542 4.463 -0.738 1.00 10.87 C ATOM 1337 O PRO A 448 24.168 4.783 -1.749 1.00 11.06 O ATOM 1338 CB PRO A 448 22.875 2.048 -0.876 1.00 10.80 C ATOM 1339 CG PRO A 448 22.974 1.732 -2.328 1.00 10.31 C ATOM 1340 CD PRO A 448 21.860 2.492 -2.995 1.00 9.48 C ATOM 0 HA PRO A 448 21.745 3.706 0.039 1.00 10.23 H new ATOM 0 HB2 PRO A 448 23.842 1.952 -0.382 1.00 10.80 H new ATOM 0 HB3 PRO A 448 22.189 1.370 -0.368 1.00 10.80 H new ATOM 0 HG2 PRO A 448 23.943 2.031 -2.727 1.00 10.31 H new ATOM 0 HG3 PRO A 448 22.874 0.661 -2.502 1.00 10.31 H new ATOM 0 HD2 PRO A 448 22.143 2.825 -3.993 1.00 9.48 H new ATOM 0 HD3 PRO A 448 20.966 1.878 -3.106 1.00 9.48 H new ATOM 1348 N PRO A 449 23.859 4.950 0.475 1.00 11.41 N ATOM 1349 CA PRO A 449 24.967 5.891 0.682 1.00 12.23 C ATOM 1350 C PRO A 449 26.316 5.283 0.313 1.00 13.10 C ATOM 1351 O PRO A 449 26.615 4.144 0.674 1.00 13.50 O ATOM 1352 CB PRO A 449 24.912 6.196 2.183 1.00 12.72 C ATOM 1353 CG PRO A 449 24.165 5.054 2.781 1.00 12.39 C ATOM 1354 CD PRO A 449 23.174 4.623 1.738 1.00 11.49 C ATOM 0 HA PRO A 449 24.868 6.776 0.054 1.00 12.23 H new ATOM 0 HB2 PRO A 449 25.913 6.278 2.606 1.00 12.72 H new ATOM 0 HB3 PRO A 449 24.406 7.142 2.375 1.00 12.72 H new ATOM 0 HG2 PRO A 449 24.840 4.238 3.040 1.00 12.39 H new ATOM 0 HG3 PRO A 449 23.661 5.355 3.699 1.00 12.39 H new ATOM 0 HD2 PRO A 449 22.948 3.559 1.811 1.00 11.49 H new ATOM 0 HD3 PRO A 449 22.229 5.157 1.834 1.00 11.49 H new ATOM 1362 N LEU A 450 27.126 6.053 -0.409 1.00 13.55 N ATOM 1363 CA LEU A 450 28.442 5.601 -0.831 1.00 14.50 C ATOM 1364 C LEU A 450 29.201 6.742 -1.504 1.00 14.96 C ATOM 1365 O LEU A 450 28.609 7.561 -2.207 1.00 15.17 O ATOM 1366 CB LEU A 450 28.310 4.408 -1.780 1.00 15.07 C ATOM 1367 CG LEU A 450 29.588 3.599 -1.978 1.00 15.25 C ATOM 1368 CD1 LEU A 450 29.262 2.203 -2.484 1.00 15.76 C ATOM 1369 CD2 LEU A 450 30.531 4.299 -2.944 1.00 15.35 C ATOM 0 H LEU A 450 26.889 6.997 -0.714 1.00 13.55 H new ATOM 0 HA LEU A 450 29.005 5.284 0.047 1.00 14.50 H new ATOM 0 HB2 LEU A 450 27.533 3.745 -1.400 1.00 15.07 H new ATOM 0 HB3 LEU A 450 27.973 4.771 -2.751 1.00 15.07 H new ATOM 0 HG LEU A 450 30.086 3.516 -1.012 1.00 15.25 H new ATOM 0 HD11 LEU A 450 30.186 1.640 -2.620 1.00 15.76 H new ATOM 0 HD12 LEU A 450 28.629 1.692 -1.759 1.00 15.76 H new ATOM 0 HD13 LEU A 450 28.738 2.275 -3.437 1.00 15.76 H new ATOM 0 HD21 LEU A 450 31.434 3.702 -3.068 1.00 15.35 H new ATOM 0 HD22 LEU A 450 30.040 4.418 -3.910 1.00 15.35 H new ATOM 0 HD23 LEU A 450 30.796 5.279 -2.548 1.00 15.35 H new ATOM 1381 N ALA A 451 30.511 6.790 -1.275 1.00 15.28 N ATOM 1382 CA ALA A 451 31.363 7.830 -1.846 1.00 15.91 C ATOM 1383 C ALA A 451 31.077 8.037 -3.333 1.00 16.47 C ATOM 1384 O ALA A 451 30.782 7.085 -4.055 1.00 16.74 O ATOM 1385 CB ALA A 451 32.828 7.482 -1.632 1.00 16.18 C ATOM 0 H ALA A 451 31.008 6.116 -0.694 1.00 15.28 H new ATOM 0 HA ALA A 451 31.139 8.765 -1.333 1.00 15.91 H new ATOM 0 HB1 ALA A 451 33.454 8.264 -2.062 1.00 16.18 H new ATOM 0 HB2 ALA A 451 33.030 7.401 -0.564 1.00 16.18 H new ATOM 0 HB3 ALA A 451 33.051 6.532 -2.117 1.00 16.18 H new ATOM 1391 N PRO A 452 31.151 9.296 -3.809 1.00 16.82 N ATOM 1392 CA PRO A 452 30.891 9.636 -5.215 1.00 17.52 C ATOM 1393 C PRO A 452 32.028 9.227 -6.150 1.00 18.21 C ATOM 1394 O PRO A 452 32.410 9.987 -7.041 1.00 18.53 O ATOM 1395 CB PRO A 452 30.759 11.157 -5.181 1.00 17.79 C ATOM 1396 CG PRO A 452 31.629 11.572 -4.049 1.00 17.36 C ATOM 1397 CD PRO A 452 31.485 10.494 -3.011 1.00 16.73 C ATOM 0 HA PRO A 452 30.015 9.114 -5.600 1.00 17.52 H new ATOM 0 HB2 PRO A 452 31.084 11.606 -6.119 1.00 17.79 H new ATOM 0 HB3 PRO A 452 29.725 11.464 -5.022 1.00 17.79 H new ATOM 0 HG2 PRO A 452 32.666 11.672 -4.368 1.00 17.36 H new ATOM 0 HG3 PRO A 452 31.322 12.540 -3.654 1.00 17.36 H new ATOM 0 HD2 PRO A 452 32.406 10.356 -2.444 1.00 16.73 H new ATOM 0 HD3 PRO A 452 30.700 10.730 -2.292 1.00 16.73 H new ATOM 1405 N ASP A 453 32.563 8.029 -5.949 1.00 18.57 N ATOM 1406 CA ASP A 453 33.652 7.529 -6.783 1.00 19.36 C ATOM 1407 C ASP A 453 33.117 6.790 -8.009 1.00 19.52 C ATOM 1408 O ASP A 453 33.647 6.939 -9.110 1.00 19.55 O ATOM 1409 CB ASP A 453 34.562 6.608 -5.971 1.00 19.71 C ATOM 1410 CG ASP A 453 35.319 7.349 -4.886 1.00 20.25 C ATOM 1411 OD1 ASP A 453 34.663 7.976 -4.028 1.00 20.48 O ATOM 1412 OD2 ASP A 453 36.566 7.304 -4.896 1.00 20.55 O ATOM 0 H ASP A 453 32.262 7.385 -5.217 1.00 18.57 H new ATOM 0 HA ASP A 453 34.229 8.386 -7.129 1.00 19.36 H new ATOM 0 HB2 ASP A 453 33.963 5.819 -5.517 1.00 19.71 H new ATOM 0 HB3 ASP A 453 35.273 6.124 -6.640 1.00 19.71 H new ATOM 1417 N GLN A 454 32.075 5.987 -7.806 1.00 19.77 N ATOM 1418 CA GLN A 454 31.476 5.212 -8.893 1.00 20.09 C ATOM 1419 C GLN A 454 32.503 4.275 -9.522 1.00 20.37 C ATOM 1420 O GLN A 454 33.503 3.955 -8.845 1.00 20.63 O ATOM 1421 CB GLN A 454 30.886 6.133 -9.966 1.00 20.30 C ATOM 1422 CG GLN A 454 29.622 6.858 -9.532 1.00 20.53 C ATOM 1423 CD GLN A 454 29.865 7.849 -8.412 1.00 20.93 C ATOM 1424 OE1 GLN A 454 30.603 8.819 -8.579 1.00 21.22 O ATOM 1425 NE2 GLN A 454 29.242 7.610 -7.263 1.00 21.08 N ATOM 1426 OXT GLN A 454 32.296 3.865 -10.683 1.00 20.45 O ATOM 0 H GLN A 454 31.627 5.855 -6.899 1.00 19.77 H new ATOM 0 HA GLN A 454 30.670 4.615 -8.466 1.00 20.09 H new ATOM 0 HB2 GLN A 454 31.637 6.871 -10.250 1.00 20.30 H new ATOM 0 HB3 GLN A 454 30.667 5.543 -10.856 1.00 20.30 H new ATOM 0 HG2 GLN A 454 29.198 7.382 -10.388 1.00 20.53 H new ATOM 0 HG3 GLN A 454 28.882 6.126 -9.208 1.00 20.53 H new ATOM 0 HE21 GLN A 454 28.639 6.793 -7.170 1.00 21.08 H new ATOM 0 HE22 GLN A 454 29.367 8.244 -6.474 1.00 21.08 H new TER 1435 GLN A 454