USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 765 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 32 TYR OH : rot 150:sc= 0.892 USER MOD Set 1.2: A 53 LYS NZ :NH3+ -111:sc= 1.03 (180deg=0) USER MOD Set 2.1: A 15 SER OG : rot 119:sc= -1.78! USER MOD Set 2.2: A 34 THR OG1 : rot -130:sc= 0.666 USER MOD Set 3.1: A 23 GLN : amide:sc= -0.188 X(o=-0.38,f=-0.81) USER MOD Set 3.2: A 29 ASN : amide:sc= -0.195 K(o=-0.38,f=-3.8) USER MOD Set 4.1: A 7 LYS NZ :NH3+ 178:sc= -0.741 (180deg=-0.761) USER MOD Set 4.2: A 77 THR OG1 : rot 32:sc= 0.0125 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.01 K(o=-2,f=-4.9) USER MOD Single : A 24 HIS :FLIP no HE2:sc= -7.96! C(o=-8.6!,f=-8!) USER MOD Single : A 30 SER OG : rot 106:sc= 0.107 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0463 K(o=-0.046,f=-1.4) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.367 F(o=-1,f=-0.37) USER MOD Single : A 58 ASN : amide:sc= -0.104 K(o=-0.1,f=-3.8!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 27:sc= 0.131 USER MOD Single : A 66 THR OG1 : rot -170:sc= -0.703 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -4.9! C(o=-6.7!,f=-4.9!) USER MOD Single : A 72 THR OG1 : rot 77:sc= 0.994 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -95:sc= 0.226 USER MOD Single : A 82 TYR OH : rot 18:sc= -0.325 USER MOD Single : A 84 LYS NZ :NH3+ -170:sc= -0.432 (180deg=-0.571) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 304 THR OG1 : rot 180:sc= 0 USER MOD Single : B 305 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.416 2.526 -6.796 1.00 1.83 N ATOM 2 CA MET A 1 -8.521 1.496 -7.391 1.00 1.38 C ATOM 3 C MET A 1 -7.065 1.963 -7.408 1.00 1.20 C ATOM 4 O MET A 1 -6.187 1.292 -6.866 1.00 1.07 O ATOM 5 CB MET A 1 -9.001 1.190 -8.813 1.00 1.81 C ATOM 6 CG MET A 1 -9.771 -0.115 -8.928 1.00 2.04 C ATOM 7 SD MET A 1 -10.737 -0.222 -10.446 1.00 2.69 S ATOM 8 CE MET A 1 -12.373 0.177 -9.835 1.00 3.17 C ATOM 0 H1 MET A 1 -10.396 2.178 -6.799 1.00 1.83 H new ATOM 0 H2 MET A 1 -9.121 2.719 -5.818 1.00 1.83 H new ATOM 0 H3 MET A 1 -9.357 3.401 -7.355 1.00 1.83 H new ATOM 0 HA MET A 1 -8.563 0.594 -6.781 1.00 1.38 H new ATOM 0 HB2 MET A 1 -9.635 2.007 -9.157 1.00 1.81 H new ATOM 0 HB3 MET A 1 -8.139 1.153 -9.478 1.00 1.81 H new ATOM 0 HG2 MET A 1 -9.071 -0.950 -8.888 1.00 2.04 H new ATOM 0 HG3 MET A 1 -10.437 -0.216 -8.071 1.00 2.04 H new ATOM 0 HE1 MET A 1 -13.085 0.152 -10.660 1.00 3.17 H new ATOM 0 HE2 MET A 1 -12.667 -0.551 -9.079 1.00 3.17 H new ATOM 0 HE3 MET A 1 -12.364 1.174 -9.394 1.00 3.17 H new ATOM 20 N GLU A 2 -6.815 3.116 -8.031 1.00 1.25 N ATOM 21 CA GLU A 2 -5.465 3.670 -8.114 1.00 1.15 C ATOM 22 C GLU A 2 -5.424 5.095 -7.562 1.00 1.12 C ATOM 23 O GLU A 2 -6.451 5.773 -7.498 1.00 1.17 O ATOM 24 CB GLU A 2 -4.971 3.662 -9.565 1.00 1.22 C ATOM 25 CG GLU A 2 -5.905 4.368 -10.539 1.00 1.74 C ATOM 26 CD GLU A 2 -6.755 3.399 -11.339 1.00 1.63 C ATOM 27 OE1 GLU A 2 -6.221 2.779 -12.283 1.00 1.97 O ATOM 28 OE2 GLU A 2 -7.955 3.261 -11.022 1.00 1.88 O ATOM 0 H GLU A 2 -7.531 3.683 -8.485 1.00 1.25 H new ATOM 0 HA GLU A 2 -4.808 3.044 -7.510 1.00 1.15 H new ATOM 0 HB2 GLU A 2 -3.991 4.137 -9.607 1.00 1.22 H new ATOM 0 HB3 GLU A 2 -4.839 2.629 -9.888 1.00 1.22 H new ATOM 0 HG2 GLU A 2 -6.556 5.045 -9.986 1.00 1.74 H new ATOM 0 HG3 GLU A 2 -5.316 4.979 -11.223 1.00 1.74 H new ATOM 35 N ILE A 3 -4.230 5.546 -7.175 1.00 1.09 N ATOM 36 CA ILE A 3 -4.037 6.889 -6.639 1.00 1.10 C ATOM 37 C ILE A 3 -2.699 7.445 -7.128 1.00 1.02 C ATOM 38 O ILE A 3 -1.699 6.720 -7.159 1.00 1.07 O ATOM 39 CB ILE A 3 -4.051 6.889 -5.092 1.00 1.18 C ATOM 40 CG1 ILE A 3 -5.432 6.488 -4.562 1.00 1.34 C ATOM 41 CG2 ILE A 3 -3.649 8.254 -4.552 1.00 1.22 C ATOM 42 CD1 ILE A 3 -5.461 5.114 -3.928 1.00 1.10 C ATOM 0 H ILE A 3 -3.375 4.992 -7.225 1.00 1.09 H new ATOM 0 HA ILE A 3 -4.859 7.513 -6.989 1.00 1.10 H new ATOM 0 HB ILE A 3 -3.324 6.154 -4.746 1.00 1.18 H new ATOM 0 HG12 ILE A 3 -5.758 7.225 -3.828 1.00 1.34 H new ATOM 0 HG13 ILE A 3 -6.149 6.516 -5.382 1.00 1.34 H new ATOM 0 HG21 ILE A 3 -3.665 8.233 -3.462 1.00 1.22 H new ATOM 0 HG22 ILE A 3 -2.644 8.500 -4.896 1.00 1.22 H new ATOM 0 HG23 ILE A 3 -4.350 9.008 -4.911 1.00 1.22 H new ATOM 0 HD11 ILE A 3 -6.469 4.897 -3.576 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -5.166 4.367 -4.665 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -4.769 5.087 -3.086 1.00 1.10 H new ATOM 54 N LYS A 4 -2.674 8.724 -7.507 1.00 0.98 N ATOM 55 CA LYS A 4 -1.440 9.339 -7.987 1.00 0.96 C ATOM 56 C LYS A 4 -0.808 10.214 -6.906 1.00 0.96 C ATOM 57 O LYS A 4 -1.126 11.399 -6.775 1.00 1.08 O ATOM 58 CB LYS A 4 -1.718 10.166 -9.246 1.00 1.07 C ATOM 59 CG LYS A 4 -1.932 9.323 -10.494 1.00 1.35 C ATOM 60 CD LYS A 4 -3.391 9.323 -10.925 1.00 1.59 C ATOM 61 CE LYS A 4 -3.533 9.099 -12.422 1.00 2.29 C ATOM 62 NZ LYS A 4 -3.355 10.360 -13.196 1.00 2.93 N ATOM 0 H LYS A 4 -3.483 9.345 -7.491 1.00 0.98 H new ATOM 0 HA LYS A 4 -0.736 8.545 -8.233 1.00 0.96 H new ATOM 0 HB2 LYS A 4 -2.601 10.782 -9.078 1.00 1.07 H new ATOM 0 HB3 LYS A 4 -0.883 10.846 -9.416 1.00 1.07 H new ATOM 0 HG2 LYS A 4 -1.312 9.707 -11.304 1.00 1.35 H new ATOM 0 HG3 LYS A 4 -1.608 8.300 -10.303 1.00 1.35 H new ATOM 0 HD2 LYS A 4 -3.930 8.543 -10.387 1.00 1.59 H new ATOM 0 HD3 LYS A 4 -3.851 10.273 -10.654 1.00 1.59 H new ATOM 0 HE2 LYS A 4 -2.796 8.366 -12.750 1.00 2.29 H new ATOM 0 HE3 LYS A 4 -4.517 8.680 -12.634 1.00 2.29 H new ATOM 0 HZ1 LYS A 4 -3.460 10.162 -14.212 1.00 2.93 H new ATOM 0 HZ2 LYS A 4 -4.074 11.052 -12.902 1.00 2.93 H new ATOM 0 HZ3 LYS A 4 -2.407 10.748 -13.015 1.00 2.93 H new ATOM 76 N LEU A 5 0.073 9.601 -6.120 1.00 0.89 N ATOM 77 CA LEU A 5 0.742 10.297 -5.023 1.00 0.97 C ATOM 78 C LEU A 5 2.037 10.958 -5.492 1.00 0.88 C ATOM 79 O LEU A 5 2.902 10.308 -6.084 1.00 0.82 O ATOM 80 CB LEU A 5 1.030 9.330 -3.871 1.00 1.11 C ATOM 81 CG LEU A 5 -0.045 9.278 -2.783 1.00 1.42 C ATOM 82 CD1 LEU A 5 0.260 8.170 -1.787 1.00 1.50 C ATOM 83 CD2 LEU A 5 -0.156 10.621 -2.074 1.00 2.09 C ATOM 0 H LEU A 5 0.341 8.622 -6.222 1.00 0.89 H new ATOM 0 HA LEU A 5 0.072 11.080 -4.669 1.00 0.97 H new ATOM 0 HB2 LEU A 5 1.158 8.328 -4.281 1.00 1.11 H new ATOM 0 HB3 LEU A 5 1.978 9.610 -3.411 1.00 1.11 H new ATOM 0 HG LEU A 5 -1.003 9.062 -3.256 1.00 1.42 H new ATOM 0 HD11 LEU A 5 -0.514 8.147 -1.020 1.00 1.50 H new ATOM 0 HD12 LEU A 5 0.286 7.212 -2.306 1.00 1.50 H new ATOM 0 HD13 LEU A 5 1.227 8.356 -1.320 1.00 1.50 H new ATOM 0 HD21 LEU A 5 -0.926 10.564 -1.304 1.00 2.09 H new ATOM 0 HD22 LEU A 5 0.800 10.869 -1.613 1.00 2.09 H new ATOM 0 HD23 LEU A 5 -0.422 11.393 -2.796 1.00 2.09 H new ATOM 95 N ILE A 6 2.161 12.259 -5.217 1.00 0.95 N ATOM 96 CA ILE A 6 3.347 13.020 -5.599 1.00 0.90 C ATOM 97 C ILE A 6 4.379 13.019 -4.472 1.00 0.93 C ATOM 98 O ILE A 6 4.063 13.354 -3.328 1.00 1.06 O ATOM 99 CB ILE A 6 2.996 14.482 -5.974 1.00 1.04 C ATOM 100 CG1 ILE A 6 4.231 15.199 -6.532 1.00 1.29 C ATOM 101 CG2 ILE A 6 2.436 15.233 -4.771 1.00 1.21 C ATOM 102 CD1 ILE A 6 3.940 16.588 -7.063 1.00 1.94 C ATOM 0 H ILE A 6 1.451 12.806 -4.730 1.00 0.95 H new ATOM 0 HA ILE A 6 3.769 12.531 -6.477 1.00 0.90 H new ATOM 0 HB ILE A 6 2.227 14.463 -6.746 1.00 1.04 H new ATOM 0 HG12 ILE A 6 4.985 15.270 -5.748 1.00 1.29 H new ATOM 0 HG13 ILE A 6 4.660 14.596 -7.332 1.00 1.29 H new ATOM 0 HG21 ILE A 6 2.197 16.257 -5.060 1.00 1.21 H new ATOM 0 HG22 ILE A 6 1.532 14.735 -4.420 1.00 1.21 H new ATOM 0 HG23 ILE A 6 3.177 15.245 -3.972 1.00 1.21 H new ATOM 0 HD11 ILE A 6 4.860 17.033 -7.441 1.00 1.94 H new ATOM 0 HD12 ILE A 6 3.210 16.524 -7.870 1.00 1.94 H new ATOM 0 HD13 ILE A 6 3.540 17.208 -6.261 1.00 1.94 H new ATOM 114 N LYS A 7 5.610 12.630 -4.800 1.00 0.91 N ATOM 115 CA LYS A 7 6.688 12.574 -3.816 1.00 1.06 C ATOM 116 C LYS A 7 6.981 13.956 -3.230 1.00 1.18 C ATOM 117 O LYS A 7 7.455 14.852 -3.930 1.00 1.29 O ATOM 118 CB LYS A 7 7.959 11.994 -4.447 1.00 1.26 C ATOM 119 CG LYS A 7 9.089 11.767 -3.453 1.00 1.78 C ATOM 120 CD LYS A 7 8.910 10.464 -2.688 1.00 2.30 C ATOM 121 CE LYS A 7 9.299 10.619 -1.226 1.00 2.50 C ATOM 122 NZ LYS A 7 9.239 9.323 -0.491 1.00 3.10 N ATOM 0 H LYS A 7 5.885 12.349 -5.741 1.00 0.91 H new ATOM 0 HA LYS A 7 6.362 11.923 -3.005 1.00 1.06 H new ATOM 0 HB2 LYS A 7 7.715 11.047 -4.928 1.00 1.26 H new ATOM 0 HB3 LYS A 7 8.306 12.669 -5.229 1.00 1.26 H new ATOM 0 HG2 LYS A 7 10.042 11.751 -3.982 1.00 1.78 H new ATOM 0 HG3 LYS A 7 9.129 12.599 -2.750 1.00 1.78 H new ATOM 0 HD2 LYS A 7 7.872 10.140 -2.757 1.00 2.30 H new ATOM 0 HD3 LYS A 7 9.518 9.685 -3.147 1.00 2.30 H new ATOM 0 HE2 LYS A 7 10.308 11.026 -1.161 1.00 2.50 H new ATOM 0 HE3 LYS A 7 8.633 11.338 -0.748 1.00 2.50 H new ATOM 0 HZ1 LYS A 7 9.544 9.467 0.493 1.00 3.10 H new ATOM 0 HZ2 LYS A 7 8.263 8.963 -0.502 1.00 3.10 H new ATOM 0 HZ3 LYS A 7 9.868 8.634 -0.951 1.00 3.10 H new ATOM 136 N GLY A 8 6.705 14.110 -1.933 1.00 1.38 N ATOM 137 CA GLY A 8 6.956 15.370 -1.252 1.00 1.62 C ATOM 138 C GLY A 8 8.217 15.308 -0.410 1.00 1.78 C ATOM 139 O GLY A 8 9.146 14.573 -0.751 1.00 1.78 O ATOM 0 H GLY A 8 6.310 13.379 -1.341 1.00 1.38 H new ATOM 0 HA2 GLY A 8 7.048 16.170 -1.987 1.00 1.62 H new ATOM 0 HA3 GLY A 8 6.105 15.617 -0.617 1.00 1.62 H new ATOM 143 N PRO A 9 8.287 16.061 0.709 1.00 2.05 N ATOM 144 CA PRO A 9 9.463 16.052 1.586 1.00 2.32 C ATOM 145 C PRO A 9 9.737 14.642 2.125 1.00 2.37 C ATOM 146 O PRO A 9 10.576 13.925 1.579 1.00 2.77 O ATOM 147 CB PRO A 9 9.100 17.043 2.707 1.00 2.68 C ATOM 148 CG PRO A 9 7.977 17.858 2.159 1.00 2.59 C ATOM 149 CD PRO A 9 7.235 16.962 1.207 1.00 2.24 C ATOM 0 HA PRO A 9 10.380 16.340 1.072 1.00 2.32 H new ATOM 0 HB2 PRO A 9 8.800 16.519 3.614 1.00 2.68 H new ATOM 0 HB3 PRO A 9 9.952 17.671 2.969 1.00 2.68 H new ATOM 0 HG2 PRO A 9 7.322 18.205 2.958 1.00 2.59 H new ATOM 0 HG3 PRO A 9 8.353 18.744 1.647 1.00 2.59 H new ATOM 0 HD2 PRO A 9 6.438 16.413 1.708 1.00 2.24 H new ATOM 0 HD3 PRO A 9 6.773 17.528 0.398 1.00 2.24 H new ATOM 157 N LYS A 10 9.027 14.237 3.186 1.00 2.38 N ATOM 158 CA LYS A 10 9.209 12.906 3.763 1.00 2.57 C ATOM 159 C LYS A 10 8.765 11.831 2.770 1.00 2.26 C ATOM 160 O LYS A 10 9.562 10.982 2.367 1.00 2.45 O ATOM 161 CB LYS A 10 8.418 12.772 5.070 1.00 2.99 C ATOM 162 CG LYS A 10 8.879 13.724 6.164 1.00 3.71 C ATOM 163 CD LYS A 10 8.395 13.277 7.534 1.00 4.04 C ATOM 164 CE LYS A 10 7.823 14.438 8.333 1.00 4.40 C ATOM 165 NZ LYS A 10 7.466 14.038 9.723 1.00 4.92 N ATOM 0 H LYS A 10 8.327 14.810 3.657 1.00 2.38 H new ATOM 0 HA LYS A 10 10.268 12.769 3.981 1.00 2.57 H new ATOM 0 HB2 LYS A 10 7.362 12.951 4.866 1.00 2.99 H new ATOM 0 HB3 LYS A 10 8.503 11.748 5.432 1.00 2.99 H new ATOM 0 HG2 LYS A 10 9.967 13.781 6.163 1.00 3.71 H new ATOM 0 HG3 LYS A 10 8.507 14.727 5.955 1.00 3.71 H new ATOM 0 HD2 LYS A 10 7.634 12.505 7.418 1.00 4.04 H new ATOM 0 HD3 LYS A 10 9.222 12.829 8.084 1.00 4.04 H new ATOM 0 HE2 LYS A 10 8.550 15.249 8.365 1.00 4.40 H new ATOM 0 HE3 LYS A 10 6.937 14.824 7.828 1.00 4.40 H new ATOM 0 HZ1 LYS A 10 7.080 14.859 10.232 1.00 4.92 H new ATOM 0 HZ2 LYS A 10 6.753 13.282 9.694 1.00 4.92 H new ATOM 0 HZ3 LYS A 10 8.316 13.694 10.214 1.00 4.92 H new ATOM 179 N GLY A 11 7.488 11.880 2.378 1.00 2.10 N ATOM 180 CA GLY A 11 6.957 10.913 1.431 1.00 2.10 C ATOM 181 C GLY A 11 5.704 10.220 1.936 1.00 2.08 C ATOM 182 O GLY A 11 4.829 10.861 2.521 1.00 2.30 O ATOM 0 H GLY A 11 6.814 12.574 2.702 1.00 2.10 H new ATOM 0 HA2 GLY A 11 6.734 11.417 0.491 1.00 2.10 H new ATOM 0 HA3 GLY A 11 7.720 10.164 1.218 1.00 2.10 H new ATOM 186 N LEU A 12 5.623 8.906 1.690 1.00 2.47 N ATOM 187 CA LEU A 12 4.474 8.087 2.101 1.00 2.77 C ATOM 188 C LEU A 12 3.922 8.523 3.462 1.00 1.92 C ATOM 189 O LEU A 12 2.769 8.942 3.563 1.00 2.52 O ATOM 190 CB LEU A 12 4.875 6.608 2.149 1.00 3.62 C ATOM 191 CG LEU A 12 5.408 6.032 0.831 1.00 4.87 C ATOM 192 CD1 LEU A 12 6.927 5.941 0.858 1.00 5.33 C ATOM 193 CD2 LEU A 12 4.796 4.665 0.559 1.00 5.70 C ATOM 0 H LEU A 12 6.349 8.382 1.202 1.00 2.47 H new ATOM 0 HA LEU A 12 3.685 8.229 1.362 1.00 2.77 H new ATOM 0 HB2 LEU A 12 5.637 6.480 2.917 1.00 3.62 H new ATOM 0 HB3 LEU A 12 4.009 6.023 2.458 1.00 3.62 H new ATOM 0 HG LEU A 12 5.121 6.705 0.024 1.00 4.87 H new ATOM 0 HD11 LEU A 12 7.284 5.530 -0.086 1.00 5.33 H new ATOM 0 HD12 LEU A 12 7.349 6.936 1.003 1.00 5.33 H new ATOM 0 HD13 LEU A 12 7.238 5.292 1.677 1.00 5.33 H new ATOM 0 HD21 LEU A 12 5.186 4.272 -0.380 1.00 5.70 H new ATOM 0 HD22 LEU A 12 5.051 3.984 1.371 1.00 5.70 H new ATOM 0 HD23 LEU A 12 3.712 4.759 0.491 1.00 5.70 H new ATOM 205 N GLY A 13 4.748 8.416 4.501 1.00 1.13 N ATOM 206 CA GLY A 13 4.325 8.803 5.836 1.00 1.11 C ATOM 207 C GLY A 13 3.297 7.856 6.432 1.00 0.96 C ATOM 208 O GLY A 13 2.276 8.296 6.957 1.00 1.03 O ATOM 0 H GLY A 13 5.705 8.067 4.441 1.00 1.13 H new ATOM 0 HA2 GLY A 13 5.196 8.843 6.490 1.00 1.11 H new ATOM 0 HA3 GLY A 13 3.907 9.809 5.801 1.00 1.11 H new ATOM 212 N PHE A 14 3.567 6.553 6.345 1.00 0.81 N ATOM 213 CA PHE A 14 2.667 5.531 6.882 1.00 0.71 C ATOM 214 C PHE A 14 3.399 4.190 6.998 1.00 0.56 C ATOM 215 O PHE A 14 4.605 4.122 6.762 1.00 0.52 O ATOM 216 CB PHE A 14 1.393 5.403 6.028 1.00 0.74 C ATOM 217 CG PHE A 14 1.623 5.043 4.585 1.00 0.63 C ATOM 218 CD1 PHE A 14 2.002 3.758 4.228 1.00 1.27 C ATOM 219 CD2 PHE A 14 1.439 5.987 3.585 1.00 1.41 C ATOM 220 CE1 PHE A 14 2.197 3.423 2.904 1.00 1.33 C ATOM 221 CE2 PHE A 14 1.629 5.654 2.258 1.00 1.46 C ATOM 222 CZ PHE A 14 2.008 4.371 1.917 1.00 0.83 C ATOM 0 H PHE A 14 4.407 6.178 5.905 1.00 0.81 H new ATOM 0 HA PHE A 14 2.355 5.838 7.880 1.00 0.71 H new ATOM 0 HB2 PHE A 14 0.749 4.647 6.476 1.00 0.74 H new ATOM 0 HB3 PHE A 14 0.851 6.348 6.068 1.00 0.74 H new ATOM 0 HD1 PHE A 14 2.146 3.011 4.995 1.00 1.27 H new ATOM 0 HD2 PHE A 14 1.144 6.992 3.847 1.00 1.41 H new ATOM 0 HE1 PHE A 14 2.497 2.420 2.639 1.00 1.33 H new ATOM 0 HE2 PHE A 14 1.481 6.397 1.488 1.00 1.46 H new ATOM 0 HZ PHE A 14 2.157 4.109 0.880 1.00 0.83 H new ATOM 232 N SER A 15 2.677 3.125 7.349 1.00 0.55 N ATOM 233 CA SER A 15 3.272 1.804 7.474 1.00 0.47 C ATOM 234 C SER A 15 2.432 0.775 6.718 1.00 0.47 C ATOM 235 O SER A 15 1.353 1.094 6.218 1.00 0.52 O ATOM 236 CB SER A 15 3.393 1.406 8.944 1.00 0.50 C ATOM 237 OG SER A 15 2.281 1.845 9.692 1.00 0.57 O ATOM 0 H SER A 15 1.678 3.157 7.551 1.00 0.55 H new ATOM 0 HA SER A 15 4.272 1.833 7.040 1.00 0.47 H new ATOM 0 HB2 SER A 15 3.481 0.322 9.022 1.00 0.50 H new ATOM 0 HB3 SER A 15 4.305 1.831 9.363 1.00 0.50 H new ATOM 0 HG SER A 15 1.820 1.071 10.078 1.00 0.57 H new ATOM 243 N ILE A 16 2.927 -0.459 6.647 1.00 0.44 N ATOM 244 CA ILE A 16 2.220 -1.538 5.956 1.00 0.46 C ATOM 245 C ILE A 16 2.666 -2.903 6.478 1.00 0.46 C ATOM 246 O ILE A 16 3.625 -3.006 7.238 1.00 0.45 O ATOM 247 CB ILE A 16 2.475 -1.520 4.422 1.00 0.47 C ATOM 248 CG1 ILE A 16 3.841 -2.138 4.069 1.00 0.67 C ATOM 249 CG2 ILE A 16 2.347 -0.114 3.851 1.00 0.57 C ATOM 250 CD1 ILE A 16 5.001 -1.182 4.174 1.00 0.64 C ATOM 0 H ILE A 16 3.817 -0.738 7.060 1.00 0.44 H new ATOM 0 HA ILE A 16 1.160 -1.375 6.151 1.00 0.46 H new ATOM 0 HB ILE A 16 1.704 -2.136 3.960 1.00 0.47 H new ATOM 0 HG12 ILE A 16 4.024 -2.986 4.728 1.00 0.67 H new ATOM 0 HG13 ILE A 16 3.798 -2.528 3.052 1.00 0.67 H new ATOM 0 HG21 ILE A 16 2.532 -0.139 2.777 1.00 0.57 H new ATOM 0 HG22 ILE A 16 1.342 0.264 4.038 1.00 0.57 H new ATOM 0 HG23 ILE A 16 3.076 0.541 4.329 1.00 0.57 H new ATOM 0 HD11 ILE A 16 5.923 -1.699 3.909 1.00 0.64 H new ATOM 0 HD12 ILE A 16 4.845 -0.345 3.494 1.00 0.64 H new ATOM 0 HD13 ILE A 16 5.075 -0.810 5.196 1.00 0.64 H new ATOM 262 N ALA A 17 1.976 -3.938 6.013 1.00 0.51 N ATOM 263 CA ALA A 17 2.283 -5.327 6.343 1.00 0.55 C ATOM 264 C ALA A 17 2.231 -6.114 5.033 1.00 0.73 C ATOM 265 O ALA A 17 1.689 -5.605 4.061 1.00 1.19 O ATOM 266 CB ALA A 17 1.302 -5.865 7.373 1.00 0.71 C ATOM 0 H ALA A 17 1.177 -3.836 5.388 1.00 0.51 H new ATOM 0 HA ALA A 17 3.271 -5.419 6.794 1.00 0.55 H new ATOM 0 HB1 ALA A 17 1.549 -6.901 7.604 1.00 0.71 H new ATOM 0 HB2 ALA A 17 1.363 -5.266 8.281 1.00 0.71 H new ATOM 0 HB3 ALA A 17 0.290 -5.814 6.972 1.00 0.71 H new ATOM 272 N GLY A 18 2.761 -7.332 4.961 1.00 0.60 N ATOM 273 CA GLY A 18 2.657 -8.030 3.686 1.00 0.77 C ATOM 274 C GLY A 18 3.530 -9.254 3.518 1.00 0.85 C ATOM 275 O GLY A 18 4.731 -9.183 3.751 1.00 1.29 O ATOM 0 H GLY A 18 3.236 -7.829 5.715 1.00 0.60 H new ATOM 0 HA2 GLY A 18 1.618 -8.329 3.543 1.00 0.77 H new ATOM 0 HA3 GLY A 18 2.899 -7.326 2.890 1.00 0.77 H new ATOM 279 N GLY A 19 2.945 -10.372 3.078 1.00 1.01 N ATOM 280 CA GLY A 19 3.727 -11.576 2.853 1.00 1.61 C ATOM 281 C GLY A 19 3.470 -12.649 3.883 1.00 0.89 C ATOM 282 O GLY A 19 3.024 -12.352 4.984 1.00 0.76 O ATOM 0 H GLY A 19 1.949 -10.462 2.875 1.00 1.01 H new ATOM 0 HA2 GLY A 19 3.500 -11.970 1.862 1.00 1.61 H new ATOM 0 HA3 GLY A 19 4.787 -11.321 2.860 1.00 1.61 H new ATOM 286 N VAL A 20 3.751 -13.900 3.519 1.00 0.97 N ATOM 287 CA VAL A 20 3.549 -15.024 4.431 1.00 1.05 C ATOM 288 C VAL A 20 4.491 -14.901 5.635 1.00 1.18 C ATOM 289 O VAL A 20 5.644 -14.487 5.486 1.00 1.35 O ATOM 290 CB VAL A 20 3.780 -16.382 3.730 1.00 1.68 C ATOM 291 CG1 VAL A 20 3.513 -17.536 4.686 1.00 1.76 C ATOM 292 CG2 VAL A 20 2.904 -16.503 2.490 1.00 2.72 C ATOM 0 H VAL A 20 4.118 -14.159 2.603 1.00 0.97 H new ATOM 0 HA VAL A 20 2.513 -14.990 4.767 1.00 1.05 H new ATOM 0 HB VAL A 20 4.824 -16.430 3.420 1.00 1.68 H new ATOM 0 HG11 VAL A 20 3.682 -18.482 4.171 1.00 1.76 H new ATOM 0 HG12 VAL A 20 4.185 -17.463 5.541 1.00 1.76 H new ATOM 0 HG13 VAL A 20 2.480 -17.491 5.032 1.00 1.76 H new ATOM 0 HG21 VAL A 20 3.082 -17.466 2.011 1.00 2.72 H new ATOM 0 HG22 VAL A 20 1.855 -16.429 2.777 1.00 2.72 H new ATOM 0 HG23 VAL A 20 3.147 -15.701 1.793 1.00 2.72 H new ATOM 302 N GLY A 21 3.992 -15.237 6.829 1.00 1.30 N ATOM 303 CA GLY A 21 4.805 -15.130 8.040 1.00 1.54 C ATOM 304 C GLY A 21 4.796 -13.720 8.631 1.00 1.24 C ATOM 305 O GLY A 21 5.130 -13.527 9.800 1.00 1.56 O ATOM 0 H GLY A 21 3.043 -15.580 6.980 1.00 1.30 H new ATOM 0 HA2 GLY A 21 4.435 -15.835 8.785 1.00 1.54 H new ATOM 0 HA3 GLY A 21 5.831 -15.418 7.811 1.00 1.54 H new ATOM 309 N ASN A 22 4.392 -12.748 7.813 1.00 0.73 N ATOM 310 CA ASN A 22 4.303 -11.346 8.214 1.00 0.61 C ATOM 311 C ASN A 22 3.001 -10.729 7.677 1.00 0.65 C ATOM 312 O ASN A 22 2.901 -9.508 7.525 1.00 0.67 O ATOM 313 CB ASN A 22 5.512 -10.546 7.686 1.00 0.47 C ATOM 314 CG ASN A 22 6.069 -11.101 6.385 1.00 0.74 C ATOM 315 OD1 ASN A 22 5.391 -11.116 5.365 1.00 1.27 O ATOM 316 ND2 ASN A 22 7.316 -11.562 6.419 1.00 1.63 N ATOM 0 H ASN A 22 4.115 -12.914 6.845 1.00 0.73 H new ATOM 0 HA ASN A 22 4.306 -11.301 9.303 1.00 0.61 H new ATOM 0 HB2 ASN A 22 5.216 -9.508 7.534 1.00 0.47 H new ATOM 0 HB3 ASN A 22 6.298 -10.546 8.441 1.00 0.47 H new ATOM 0 HD21 ASN A 22 7.741 -11.946 5.575 1.00 1.63 H new ATOM 0 HD22 ASN A 22 7.847 -11.532 7.289 1.00 1.63 H new ATOM 323 N GLN A 23 2.016 -11.585 7.360 1.00 0.77 N ATOM 324 CA GLN A 23 0.733 -11.145 6.804 1.00 0.94 C ATOM 325 C GLN A 23 -0.005 -10.171 7.716 1.00 0.88 C ATOM 326 O GLN A 23 0.072 -10.262 8.942 1.00 0.87 O ATOM 327 CB GLN A 23 -0.177 -12.352 6.541 1.00 1.19 C ATOM 328 CG GLN A 23 0.386 -13.355 5.547 1.00 1.42 C ATOM 329 CD GLN A 23 -0.371 -14.671 5.552 1.00 1.55 C ATOM 330 OE1 GLN A 23 0.208 -15.729 5.796 1.00 1.62 O ATOM 331 NE2 GLN A 23 -1.673 -14.615 5.283 1.00 2.34 N ATOM 0 H GLN A 23 2.089 -12.595 7.482 1.00 0.77 H new ATOM 0 HA GLN A 23 0.966 -10.628 5.873 1.00 0.94 H new ATOM 0 HB2 GLN A 23 -0.367 -12.862 7.486 1.00 1.19 H new ATOM 0 HB3 GLN A 23 -1.139 -11.994 6.173 1.00 1.19 H new ATOM 0 HG2 GLN A 23 0.354 -12.926 4.546 1.00 1.42 H new ATOM 0 HG3 GLN A 23 1.434 -13.542 5.780 1.00 1.42 H new ATOM 0 HE21 GLN A 23 -2.115 -13.717 5.086 1.00 2.34 H new ATOM 0 HE22 GLN A 23 -2.229 -15.470 5.274 1.00 2.34 H new ATOM 340 N HIS A 24 -0.731 -9.248 7.092 1.00 0.86 N ATOM 341 CA HIS A 24 -1.514 -8.246 7.815 1.00 0.83 C ATOM 342 C HIS A 24 -2.928 -8.753 8.100 1.00 0.84 C ATOM 343 O HIS A 24 -3.564 -8.327 9.066 1.00 0.92 O ATOM 344 CB HIS A 24 -1.606 -6.955 6.996 1.00 0.85 C ATOM 345 CG HIS A 24 -2.246 -5.830 7.728 1.00 0.83 C ATOM 346 ND1 HIS A 24 -3.476 -5.287 7.602 1.00 0.90 N flip ATOM 347 CD2 HIS A 24 -1.608 -5.116 8.708 1.00 0.81 C flip ATOM 348 CE1 HIS A 24 -3.557 -4.257 8.503 1.00 0.88 C flip ATOM 349 NE2 HIS A 24 -2.412 -4.178 9.156 1.00 0.82 N flip ATOM 0 H HIS A 24 -0.794 -9.172 6.077 1.00 0.86 H new ATOM 0 HA HIS A 24 -1.009 -8.051 8.761 1.00 0.83 H new ATOM 0 HB2 HIS A 24 -0.603 -6.656 6.691 1.00 0.85 H new ATOM 0 HB3 HIS A 24 -2.170 -7.152 6.085 1.00 0.85 H new ATOM 0 HD1 HIS A 24 -4.207 -5.587 6.957 1.00 0.90 H new ATOM 0 HD2 HIS A 24 -0.602 -5.296 9.058 1.00 0.81 H new ATOM 0 HE1 HIS A 24 -4.414 -3.617 8.654 1.00 0.88 H new ATOM 358 N ILE A 25 -3.411 -9.660 7.250 1.00 0.80 N ATOM 359 CA ILE A 25 -4.748 -10.224 7.400 1.00 0.86 C ATOM 360 C ILE A 25 -4.779 -11.674 6.917 1.00 0.81 C ATOM 361 O ILE A 25 -4.314 -11.976 5.816 1.00 0.80 O ATOM 362 CB ILE A 25 -5.802 -9.400 6.621 1.00 0.95 C ATOM 363 CG1 ILE A 25 -5.553 -7.897 6.796 1.00 1.01 C ATOM 364 CG2 ILE A 25 -7.206 -9.763 7.081 1.00 1.51 C ATOM 365 CD1 ILE A 25 -6.619 -7.022 6.173 1.00 1.16 C ATOM 0 H ILE A 25 -2.892 -10.019 6.449 1.00 0.80 H new ATOM 0 HA ILE A 25 -4.996 -10.190 8.461 1.00 0.86 H new ATOM 0 HB ILE A 25 -5.710 -9.641 5.562 1.00 0.95 H new ATOM 0 HG12 ILE A 25 -5.488 -7.671 7.860 1.00 1.01 H new ATOM 0 HG13 ILE A 25 -4.588 -7.645 6.357 1.00 1.01 H new ATOM 0 HG21 ILE A 25 -7.935 -9.175 6.524 1.00 1.51 H new ATOM 0 HG22 ILE A 25 -7.384 -10.824 6.904 1.00 1.51 H new ATOM 0 HG23 ILE A 25 -7.306 -9.551 8.145 1.00 1.51 H new ATOM 0 HD11 ILE A 25 -6.372 -5.973 6.339 1.00 1.16 H new ATOM 0 HD12 ILE A 25 -6.670 -7.218 5.102 1.00 1.16 H new ATOM 0 HD13 ILE A 25 -7.584 -7.244 6.629 1.00 1.16 H new ATOM 377 N PRO A 26 -5.328 -12.594 7.736 1.00 0.82 N ATOM 378 CA PRO A 26 -5.414 -14.019 7.387 1.00 0.82 C ATOM 379 C PRO A 26 -6.174 -14.249 6.083 1.00 0.86 C ATOM 380 O PRO A 26 -7.307 -13.790 5.924 1.00 0.95 O ATOM 381 CB PRO A 26 -6.165 -14.647 8.570 1.00 0.88 C ATOM 382 CG PRO A 26 -6.809 -13.505 9.280 1.00 0.98 C ATOM 383 CD PRO A 26 -5.907 -12.323 9.063 1.00 0.87 C ATOM 0 HA PRO A 26 -4.428 -14.454 7.224 1.00 0.82 H new ATOM 0 HB2 PRO A 26 -6.909 -15.366 8.226 1.00 0.88 H new ATOM 0 HB3 PRO A 26 -5.482 -15.184 9.228 1.00 0.88 H new ATOM 0 HG2 PRO A 26 -7.807 -13.312 8.885 1.00 0.98 H new ATOM 0 HG3 PRO A 26 -6.922 -13.720 10.343 1.00 0.98 H new ATOM 0 HD2 PRO A 26 -6.460 -11.384 9.079 1.00 0.87 H new ATOM 0 HD3 PRO A 26 -5.139 -12.254 9.833 1.00 0.87 H new ATOM 391 N GLY A 27 -5.536 -14.960 5.152 1.00 0.85 N ATOM 392 CA GLY A 27 -6.155 -15.240 3.869 1.00 0.94 C ATOM 393 C GLY A 27 -5.541 -14.432 2.738 1.00 0.92 C ATOM 394 O GLY A 27 -5.107 -14.998 1.732 1.00 1.06 O ATOM 0 H GLY A 27 -4.599 -15.347 5.267 1.00 0.85 H new ATOM 0 HA2 GLY A 27 -6.058 -16.303 3.646 1.00 0.94 H new ATOM 0 HA3 GLY A 27 -7.222 -15.023 3.929 1.00 0.94 H new ATOM 398 N ASP A 28 -5.505 -13.108 2.903 1.00 0.80 N ATOM 399 CA ASP A 28 -4.941 -12.219 1.890 1.00 0.80 C ATOM 400 C ASP A 28 -3.496 -11.848 2.225 1.00 0.65 C ATOM 401 O ASP A 28 -3.238 -11.112 3.179 1.00 0.57 O ATOM 402 CB ASP A 28 -5.791 -10.952 1.757 1.00 0.91 C ATOM 403 CG ASP A 28 -5.879 -10.456 0.326 1.00 1.08 C ATOM 404 OD1 ASP A 28 -6.663 -11.032 -0.457 1.00 1.68 O ATOM 405 OD2 ASP A 28 -5.163 -9.490 -0.013 1.00 1.48 O ATOM 0 H ASP A 28 -5.861 -12.629 3.730 1.00 0.80 H new ATOM 0 HA ASP A 28 -4.946 -12.751 0.939 1.00 0.80 H new ATOM 0 HB2 ASP A 28 -6.795 -11.152 2.131 1.00 0.91 H new ATOM 0 HB3 ASP A 28 -5.368 -10.167 2.384 1.00 0.91 H new ATOM 410 N ASN A 29 -2.560 -12.370 1.430 1.00 0.69 N ATOM 411 CA ASN A 29 -1.132 -12.103 1.633 1.00 0.63 C ATOM 412 C ASN A 29 -0.686 -10.808 0.934 1.00 0.59 C ATOM 413 O ASN A 29 0.513 -10.589 0.742 1.00 0.65 O ATOM 414 CB ASN A 29 -0.286 -13.276 1.126 1.00 0.79 C ATOM 415 CG ASN A 29 -0.842 -14.631 1.531 1.00 1.36 C ATOM 416 OD1 ASN A 29 -0.557 -15.128 2.620 1.00 2.11 O ATOM 417 ND2 ASN A 29 -1.635 -15.238 0.655 1.00 1.98 N ATOM 0 H ASN A 29 -2.764 -12.981 0.639 1.00 0.69 H new ATOM 0 HA ASN A 29 -0.979 -11.981 2.705 1.00 0.63 H new ATOM 0 HB2 ASN A 29 -0.222 -13.227 0.039 1.00 0.79 H new ATOM 0 HB3 ASN A 29 0.729 -13.177 1.510 1.00 0.79 H new ATOM 0 HD21 ASN A 29 -2.033 -16.151 0.875 1.00 1.98 H new ATOM 0 HD22 ASN A 29 -1.846 -14.791 -0.237 1.00 1.98 H new ATOM 424 N SER A 30 -1.643 -9.941 0.574 1.00 0.56 N ATOM 425 CA SER A 30 -1.319 -8.671 -0.077 1.00 0.56 C ATOM 426 C SER A 30 -0.956 -7.624 0.970 1.00 0.55 C ATOM 427 O SER A 30 -1.281 -7.782 2.145 1.00 0.55 O ATOM 428 CB SER A 30 -2.492 -8.174 -0.927 1.00 0.60 C ATOM 429 OG SER A 30 -2.844 -9.121 -1.920 1.00 1.39 O ATOM 0 H SER A 30 -2.640 -10.097 0.723 1.00 0.56 H new ATOM 0 HA SER A 30 -0.465 -8.835 -0.734 1.00 0.56 H new ATOM 0 HB2 SER A 30 -3.352 -7.979 -0.286 1.00 0.60 H new ATOM 0 HB3 SER A 30 -2.226 -7.229 -1.400 1.00 0.60 H new ATOM 0 HG SER A 30 -3.683 -9.562 -1.669 1.00 1.39 H new ATOM 435 N ILE A 31 -0.233 -6.588 0.555 1.00 0.55 N ATOM 436 CA ILE A 31 0.221 -5.552 1.486 1.00 0.55 C ATOM 437 C ILE A 31 -0.908 -4.607 1.932 1.00 0.57 C ATOM 438 O ILE A 31 -1.583 -3.999 1.110 1.00 0.65 O ATOM 439 CB ILE A 31 1.377 -4.718 0.870 1.00 0.53 C ATOM 440 CG1 ILE A 31 2.391 -5.617 0.140 1.00 0.62 C ATOM 441 CG2 ILE A 31 2.069 -3.891 1.940 1.00 0.60 C ATOM 442 CD1 ILE A 31 2.523 -7.020 0.704 1.00 0.80 C ATOM 0 H ILE A 31 0.051 -6.441 -0.413 1.00 0.55 H new ATOM 0 HA ILE A 31 0.577 -6.081 2.370 1.00 0.55 H new ATOM 0 HB ILE A 31 0.943 -4.041 0.134 1.00 0.53 H new ATOM 0 HG12 ILE A 31 2.102 -5.688 -0.909 1.00 0.62 H new ATOM 0 HG13 ILE A 31 3.369 -5.136 0.170 1.00 0.62 H new ATOM 0 HG21 ILE A 31 2.876 -3.314 1.489 1.00 0.60 H new ATOM 0 HG22 ILE A 31 1.349 -3.212 2.397 1.00 0.60 H new ATOM 0 HG23 ILE A 31 2.479 -4.553 2.703 1.00 0.60 H new ATOM 0 HD11 ILE A 31 3.259 -7.577 0.125 1.00 0.80 H new ATOM 0 HD12 ILE A 31 2.845 -6.965 1.744 1.00 0.80 H new ATOM 0 HD13 ILE A 31 1.559 -7.526 0.649 1.00 0.80 H new ATOM 454 N TYR A 32 -1.077 -4.480 3.255 1.00 0.60 N ATOM 455 CA TYR A 32 -2.088 -3.602 3.845 1.00 0.62 C ATOM 456 C TYR A 32 -1.426 -2.538 4.721 1.00 0.59 C ATOM 457 O TYR A 32 -0.393 -2.793 5.339 1.00 0.61 O ATOM 458 CB TYR A 32 -3.062 -4.401 4.711 1.00 0.69 C ATOM 459 CG TYR A 32 -4.000 -5.305 3.946 1.00 0.71 C ATOM 460 CD1 TYR A 32 -3.532 -6.462 3.347 1.00 1.28 C ATOM 461 CD2 TYR A 32 -5.352 -5.010 3.847 1.00 1.34 C ATOM 462 CE1 TYR A 32 -4.381 -7.305 2.662 1.00 1.30 C ATOM 463 CE2 TYR A 32 -6.214 -5.847 3.171 1.00 1.38 C ATOM 464 CZ TYR A 32 -5.725 -6.996 2.576 1.00 0.80 C ATOM 465 OH TYR A 32 -6.579 -7.835 1.902 1.00 0.86 O ATOM 0 H TYR A 32 -0.516 -4.983 3.942 1.00 0.60 H new ATOM 0 HA TYR A 32 -2.629 -3.127 3.026 1.00 0.62 H new ATOM 0 HB2 TYR A 32 -2.489 -5.007 5.412 1.00 0.69 H new ATOM 0 HB3 TYR A 32 -3.655 -3.704 5.303 1.00 0.69 H new ATOM 0 HD1 TYR A 32 -2.483 -6.709 3.418 1.00 1.28 H new ATOM 0 HD2 TYR A 32 -5.735 -4.111 4.307 1.00 1.34 H new ATOM 0 HE1 TYR A 32 -3.998 -8.201 2.196 1.00 1.30 H new ATOM 0 HE2 TYR A 32 -7.265 -5.607 3.106 1.00 1.38 H new ATOM 0 HH TYR A 32 -7.472 -7.782 2.301 1.00 0.86 H new ATOM 475 N VAL A 33 -2.039 -1.359 4.794 1.00 0.57 N ATOM 476 CA VAL A 33 -1.519 -0.271 5.623 1.00 0.55 C ATOM 477 C VAL A 33 -1.845 -0.525 7.096 1.00 0.59 C ATOM 478 O VAL A 33 -2.989 -0.826 7.443 1.00 0.65 O ATOM 479 CB VAL A 33 -2.089 1.099 5.186 1.00 0.59 C ATOM 480 CG1 VAL A 33 -1.777 2.179 6.217 1.00 0.62 C ATOM 481 CG2 VAL A 33 -1.538 1.488 3.822 1.00 0.56 C ATOM 0 H VAL A 33 -2.896 -1.131 4.290 1.00 0.57 H new ATOM 0 HA VAL A 33 -0.437 -0.243 5.492 1.00 0.55 H new ATOM 0 HB VAL A 33 -3.173 1.009 5.114 1.00 0.59 H new ATOM 0 HG11 VAL A 33 -2.190 3.131 5.883 1.00 0.62 H new ATOM 0 HG12 VAL A 33 -2.221 1.907 7.175 1.00 0.62 H new ATOM 0 HG13 VAL A 33 -0.697 2.272 6.331 1.00 0.62 H new ATOM 0 HG21 VAL A 33 -1.947 2.454 3.526 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -0.451 1.555 3.874 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -1.820 0.734 3.087 1.00 0.56 H new ATOM 491 N THR A 34 -0.826 -0.437 7.950 1.00 0.62 N ATOM 492 CA THR A 34 -0.995 -0.695 9.382 1.00 0.71 C ATOM 493 C THR A 34 -1.109 0.586 10.219 1.00 0.72 C ATOM 494 O THR A 34 -1.776 0.584 11.256 1.00 0.84 O ATOM 495 CB THR A 34 0.169 -1.548 9.904 1.00 0.74 C ATOM 496 OG1 THR A 34 1.368 -0.794 9.952 1.00 1.39 O ATOM 497 CG2 THR A 34 0.439 -2.781 9.065 1.00 1.29 C ATOM 0 H THR A 34 0.125 -0.189 7.677 1.00 0.62 H new ATOM 0 HA THR A 34 -1.938 -1.232 9.490 1.00 0.71 H new ATOM 0 HB THR A 34 -0.139 -1.866 10.900 1.00 0.74 H new ATOM 0 HG1 THR A 34 2.087 -1.294 9.511 1.00 1.39 H new ATOM 0 HG21 THR A 34 1.274 -3.336 9.492 1.00 1.29 H new ATOM 0 HG22 THR A 34 -0.448 -3.414 9.052 1.00 1.29 H new ATOM 0 HG23 THR A 34 0.686 -2.481 8.047 1.00 1.29 H new ATOM 505 N LYS A 35 -0.464 1.674 9.778 1.00 0.65 N ATOM 506 CA LYS A 35 -0.505 2.946 10.514 1.00 0.71 C ATOM 507 C LYS A 35 -0.147 4.126 9.612 1.00 0.69 C ATOM 508 O LYS A 35 0.938 4.166 9.037 1.00 0.62 O ATOM 509 CB LYS A 35 0.471 2.925 11.702 1.00 0.72 C ATOM 510 CG LYS A 35 0.293 1.748 12.651 1.00 1.32 C ATOM 511 CD LYS A 35 1.281 1.808 13.806 1.00 1.46 C ATOM 512 CE LYS A 35 0.627 2.320 15.080 1.00 2.02 C ATOM 513 NZ LYS A 35 -0.064 1.235 15.830 1.00 2.54 N ATOM 0 H LYS A 35 0.089 1.700 8.921 1.00 0.65 H new ATOM 0 HA LYS A 35 -1.526 3.067 10.876 1.00 0.71 H new ATOM 0 HB2 LYS A 35 1.491 2.913 11.317 1.00 0.72 H new ATOM 0 HB3 LYS A 35 0.355 3.850 12.267 1.00 0.72 H new ATOM 0 HG2 LYS A 35 -0.725 1.745 13.041 1.00 1.32 H new ATOM 0 HG3 LYS A 35 0.427 0.815 12.104 1.00 1.32 H new ATOM 0 HD2 LYS A 35 1.695 0.815 13.983 1.00 1.46 H new ATOM 0 HD3 LYS A 35 2.114 2.457 13.538 1.00 1.46 H new ATOM 0 HE2 LYS A 35 1.384 2.776 15.718 1.00 2.02 H new ATOM 0 HE3 LYS A 35 -0.091 3.101 14.830 1.00 2.02 H new ATOM 0 HZ1 LYS A 35 -0.495 1.628 16.691 1.00 2.54 H new ATOM 0 HZ2 LYS A 35 -0.805 0.817 15.232 1.00 2.54 H new ATOM 0 HZ3 LYS A 35 0.625 0.501 16.092 1.00 2.54 H new ATOM 527 N ILE A 36 -1.053 5.097 9.507 1.00 0.86 N ATOM 528 CA ILE A 36 -0.807 6.280 8.687 1.00 0.92 C ATOM 529 C ILE A 36 -0.343 7.456 9.553 1.00 0.98 C ATOM 530 O ILE A 36 -1.045 7.873 10.476 1.00 1.06 O ATOM 531 CB ILE A 36 -2.061 6.692 7.882 1.00 1.03 C ATOM 532 CG1 ILE A 36 -2.494 5.546 6.958 1.00 1.40 C ATOM 533 CG2 ILE A 36 -1.785 7.959 7.077 1.00 1.12 C ATOM 534 CD1 ILE A 36 -3.461 5.967 5.872 1.00 1.35 C ATOM 0 H ILE A 36 -1.958 5.088 9.977 1.00 0.86 H new ATOM 0 HA ILE A 36 -0.019 6.019 7.981 1.00 0.92 H new ATOM 0 HB ILE A 36 -2.873 6.902 8.579 1.00 1.03 H new ATOM 0 HG12 ILE A 36 -1.608 5.112 6.494 1.00 1.40 H new ATOM 0 HG13 ILE A 36 -2.956 4.762 7.559 1.00 1.40 H new ATOM 0 HG21 ILE A 36 -2.678 8.235 6.516 1.00 1.12 H new ATOM 0 HG22 ILE A 36 -1.517 8.769 7.755 1.00 1.12 H new ATOM 0 HG23 ILE A 36 -0.963 7.778 6.384 1.00 1.12 H new ATOM 0 HD11 ILE A 36 -3.720 5.103 5.260 1.00 1.35 H new ATOM 0 HD12 ILE A 36 -4.364 6.374 6.327 1.00 1.35 H new ATOM 0 HD13 ILE A 36 -2.996 6.728 5.246 1.00 1.35 H new ATOM 546 N ILE A 37 0.843 7.987 9.243 1.00 1.03 N ATOM 547 CA ILE A 37 1.408 9.117 9.981 1.00 1.10 C ATOM 548 C ILE A 37 0.764 10.433 9.532 1.00 1.10 C ATOM 549 O ILE A 37 0.386 10.582 8.368 1.00 1.37 O ATOM 550 CB ILE A 37 2.947 9.188 9.796 1.00 1.14 C ATOM 551 CG1 ILE A 37 3.640 8.167 10.703 1.00 1.47 C ATOM 552 CG2 ILE A 37 3.479 10.589 10.072 1.00 1.32 C ATOM 553 CD1 ILE A 37 3.697 6.773 10.114 1.00 1.68 C ATOM 0 H ILE A 37 1.432 7.649 8.482 1.00 1.03 H new ATOM 0 HA ILE A 37 1.194 8.964 11.039 1.00 1.10 H new ATOM 0 HB ILE A 37 3.169 8.947 8.756 1.00 1.14 H new ATOM 0 HG12 ILE A 37 4.655 8.507 10.910 1.00 1.47 H new ATOM 0 HG13 ILE A 37 3.116 8.128 11.658 1.00 1.47 H new ATOM 0 HG21 ILE A 37 4.560 10.602 9.933 1.00 1.32 H new ATOM 0 HG22 ILE A 37 3.016 11.296 9.384 1.00 1.32 H new ATOM 0 HG23 ILE A 37 3.242 10.873 11.097 1.00 1.32 H new ATOM 0 HD11 ILE A 37 4.201 6.104 10.811 1.00 1.68 H new ATOM 0 HD12 ILE A 37 2.684 6.413 9.933 1.00 1.68 H new ATOM 0 HD13 ILE A 37 4.247 6.798 9.173 1.00 1.68 H new ATOM 565 N GLU A 38 0.645 11.383 10.464 1.00 0.96 N ATOM 566 CA GLU A 38 0.049 12.687 10.165 1.00 0.99 C ATOM 567 C GLU A 38 0.887 13.457 9.144 1.00 1.31 C ATOM 568 O GLU A 38 2.111 13.326 9.103 1.00 1.64 O ATOM 569 CB GLU A 38 -0.111 13.520 11.443 1.00 1.23 C ATOM 570 CG GLU A 38 -1.423 13.269 12.169 1.00 1.71 C ATOM 571 CD GLU A 38 -2.148 14.553 12.525 1.00 2.41 C ATOM 572 OE1 GLU A 38 -2.936 15.042 11.688 1.00 3.11 O ATOM 573 OE2 GLU A 38 -1.926 15.069 13.640 1.00 2.79 O ATOM 0 H GLU A 38 0.953 11.273 11.430 1.00 0.96 H new ATOM 0 HA GLU A 38 -0.937 12.506 9.737 1.00 0.99 H new ATOM 0 HB2 GLU A 38 0.716 13.299 12.117 1.00 1.23 H new ATOM 0 HB3 GLU A 38 -0.042 14.578 11.189 1.00 1.23 H new ATOM 0 HG2 GLU A 38 -2.069 12.653 11.543 1.00 1.71 H new ATOM 0 HG3 GLU A 38 -1.228 12.702 13.079 1.00 1.71 H new ATOM 580 N GLY A 39 0.209 14.262 8.324 1.00 1.69 N ATOM 581 CA GLY A 39 0.885 15.051 7.305 1.00 2.36 C ATOM 582 C GLY A 39 1.623 14.208 6.270 1.00 2.68 C ATOM 583 O GLY A 39 2.488 14.722 5.559 1.00 3.15 O ATOM 0 H GLY A 39 -0.804 14.381 8.349 1.00 1.69 H new ATOM 0 HA2 GLY A 39 0.152 15.677 6.796 1.00 2.36 H new ATOM 0 HA3 GLY A 39 1.595 15.722 7.788 1.00 2.36 H new ATOM 587 N GLY A 40 1.289 12.916 6.187 1.00 2.49 N ATOM 588 CA GLY A 40 1.942 12.035 5.233 1.00 2.80 C ATOM 589 C GLY A 40 1.214 11.959 3.902 1.00 2.61 C ATOM 590 O GLY A 40 0.087 12.434 3.777 1.00 2.37 O ATOM 0 H GLY A 40 0.578 12.468 6.765 1.00 2.49 H new ATOM 0 HA2 GLY A 40 2.961 12.383 5.064 1.00 2.80 H new ATOM 0 HA3 GLY A 40 2.013 11.035 5.660 1.00 2.80 H new ATOM 594 N ALA A 41 1.871 11.361 2.906 1.00 2.83 N ATOM 595 CA ALA A 41 1.303 11.212 1.564 1.00 2.70 C ATOM 596 C ALA A 41 -0.143 10.711 1.605 1.00 2.11 C ATOM 597 O ALA A 41 -1.047 11.381 1.107 1.00 2.06 O ATOM 598 CB ALA A 41 2.160 10.266 0.734 1.00 3.00 C ATOM 0 H ALA A 41 2.807 10.968 3.006 1.00 2.83 H new ATOM 0 HA ALA A 41 1.296 12.199 1.101 1.00 2.70 H new ATOM 0 HB1 ALA A 41 1.728 10.163 -0.262 1.00 3.00 H new ATOM 0 HB2 ALA A 41 3.170 10.668 0.652 1.00 3.00 H new ATOM 0 HB3 ALA A 41 2.196 9.289 1.217 1.00 3.00 H new ATOM 604 N ALA A 42 -0.353 9.534 2.200 1.00 1.82 N ATOM 605 CA ALA A 42 -1.692 8.951 2.300 1.00 1.36 C ATOM 606 C ALA A 42 -2.605 9.806 3.177 1.00 1.16 C ATOM 607 O ALA A 42 -3.727 10.128 2.787 1.00 1.02 O ATOM 608 CB ALA A 42 -1.612 7.531 2.846 1.00 1.50 C ATOM 0 H ALA A 42 0.385 8.968 2.618 1.00 1.82 H new ATOM 0 HA ALA A 42 -2.120 8.921 1.298 1.00 1.36 H new ATOM 0 HB1 ALA A 42 -2.615 7.111 2.915 1.00 1.50 H new ATOM 0 HB2 ALA A 42 -1.007 6.918 2.178 1.00 1.50 H new ATOM 0 HB3 ALA A 42 -1.157 7.547 3.836 1.00 1.50 H new ATOM 614 N HIS A 43 -2.113 10.161 4.365 1.00 1.34 N ATOM 615 CA HIS A 43 -2.871 10.974 5.318 1.00 1.21 C ATOM 616 C HIS A 43 -3.422 12.247 4.667 1.00 1.08 C ATOM 617 O HIS A 43 -4.603 12.566 4.817 1.00 1.15 O ATOM 618 CB HIS A 43 -1.981 11.340 6.508 1.00 1.39 C ATOM 619 CG HIS A 43 -2.695 12.072 7.598 1.00 1.16 C ATOM 620 ND1 HIS A 43 -2.813 13.444 7.628 1.00 1.34 N ATOM 621 CD2 HIS A 43 -3.321 11.617 8.710 1.00 1.15 C ATOM 622 CE1 HIS A 43 -3.476 13.805 8.711 1.00 1.22 C ATOM 623 NE2 HIS A 43 -3.797 12.716 9.384 1.00 1.28 N ATOM 0 H HIS A 43 -1.184 9.895 4.692 1.00 1.34 H new ATOM 0 HA HIS A 43 -3.720 10.383 5.660 1.00 1.21 H new ATOM 0 HB2 HIS A 43 -1.549 10.428 6.919 1.00 1.39 H new ATOM 0 HB3 HIS A 43 -1.153 11.954 6.154 1.00 1.39 H new ATOM 0 HD2 HIS A 43 -3.426 10.585 9.010 1.00 1.15 H new ATOM 0 HE1 HIS A 43 -3.715 14.819 8.997 1.00 1.22 H new ATOM 0 HE2 HIS A 43 -4.315 12.694 10.263 1.00 1.28 H new ATOM 632 N LYS A 44 -2.559 12.971 3.952 1.00 1.15 N ATOM 633 CA LYS A 44 -2.958 14.211 3.282 1.00 1.31 C ATOM 634 C LYS A 44 -3.876 13.935 2.090 1.00 1.39 C ATOM 635 O LYS A 44 -4.822 14.685 1.844 1.00 1.46 O ATOM 636 CB LYS A 44 -1.724 14.992 2.820 1.00 1.74 C ATOM 637 CG LYS A 44 -1.496 16.282 3.591 1.00 1.89 C ATOM 638 CD LYS A 44 -0.335 17.080 3.018 1.00 2.36 C ATOM 639 CE LYS A 44 0.765 17.288 4.049 1.00 2.17 C ATOM 640 NZ LYS A 44 1.655 18.428 3.693 1.00 2.66 N ATOM 0 H LYS A 44 -1.579 12.720 3.822 1.00 1.15 H new ATOM 0 HA LYS A 44 -3.512 14.810 4.005 1.00 1.31 H new ATOM 0 HB2 LYS A 44 -0.844 14.357 2.922 1.00 1.74 H new ATOM 0 HB3 LYS A 44 -1.828 15.225 1.760 1.00 1.74 H new ATOM 0 HG2 LYS A 44 -2.402 16.887 3.565 1.00 1.89 H new ATOM 0 HG3 LYS A 44 -1.298 16.051 4.638 1.00 1.89 H new ATOM 0 HD2 LYS A 44 0.072 16.560 2.151 1.00 2.36 H new ATOM 0 HD3 LYS A 44 -0.695 18.048 2.669 1.00 2.36 H new ATOM 0 HE2 LYS A 44 0.317 17.469 5.026 1.00 2.17 H new ATOM 0 HE3 LYS A 44 1.358 16.378 4.135 1.00 2.17 H new ATOM 0 HZ1 LYS A 44 2.390 18.535 4.421 1.00 2.66 H new ATOM 0 HZ2 LYS A 44 2.103 18.244 2.773 1.00 2.66 H new ATOM 0 HZ3 LYS A 44 1.094 19.302 3.636 1.00 2.66 H new ATOM 654 N ASP A 45 -3.593 12.857 1.354 1.00 1.59 N ATOM 655 CA ASP A 45 -4.396 12.487 0.188 1.00 1.86 C ATOM 656 C ASP A 45 -5.832 12.151 0.596 1.00 1.89 C ATOM 657 O ASP A 45 -6.787 12.673 0.019 1.00 1.97 O ATOM 658 CB ASP A 45 -3.765 11.292 -0.538 1.00 2.33 C ATOM 659 CG ASP A 45 -4.100 11.263 -2.017 1.00 2.69 C ATOM 660 OD1 ASP A 45 -5.238 10.881 -2.361 1.00 2.80 O ATOM 661 OD2 ASP A 45 -3.223 11.619 -2.832 1.00 3.24 O ATOM 0 H ASP A 45 -2.814 12.226 1.545 1.00 1.59 H new ATOM 0 HA ASP A 45 -4.421 13.341 -0.488 1.00 1.86 H new ATOM 0 HB2 ASP A 45 -2.683 11.328 -0.415 1.00 2.33 H new ATOM 0 HB3 ASP A 45 -4.108 10.367 -0.074 1.00 2.33 H new ATOM 666 N GLY A 46 -5.974 11.274 1.593 1.00 2.08 N ATOM 667 CA GLY A 46 -7.292 10.879 2.065 1.00 2.49 C ATOM 668 C GLY A 46 -7.813 9.615 1.398 1.00 2.11 C ATOM 669 O GLY A 46 -8.615 8.889 1.987 1.00 2.47 O ATOM 0 H GLY A 46 -5.196 10.830 2.082 1.00 2.08 H new ATOM 0 HA2 GLY A 46 -7.253 10.724 3.143 1.00 2.49 H new ATOM 0 HA3 GLY A 46 -7.994 11.693 1.885 1.00 2.49 H new ATOM 673 N LYS A 47 -7.360 9.350 0.169 1.00 1.87 N ATOM 674 CA LYS A 47 -7.789 8.165 -0.575 1.00 2.32 C ATOM 675 C LYS A 47 -7.383 6.878 0.146 1.00 1.93 C ATOM 676 O LYS A 47 -8.184 5.949 0.263 1.00 1.95 O ATOM 677 CB LYS A 47 -7.198 8.176 -1.990 1.00 2.80 C ATOM 678 CG LYS A 47 -7.782 9.254 -2.892 1.00 3.64 C ATOM 679 CD LYS A 47 -9.119 8.827 -3.483 1.00 4.17 C ATOM 680 CE LYS A 47 -10.147 9.947 -3.410 1.00 5.03 C ATOM 681 NZ LYS A 47 -9.773 11.108 -4.266 1.00 5.67 N ATOM 0 H LYS A 47 -6.696 9.941 -0.331 1.00 1.87 H new ATOM 0 HA LYS A 47 -8.877 8.193 -0.641 1.00 2.32 H new ATOM 0 HB2 LYS A 47 -6.119 8.318 -1.922 1.00 2.80 H new ATOM 0 HB3 LYS A 47 -7.363 7.202 -2.450 1.00 2.80 H new ATOM 0 HG2 LYS A 47 -7.913 10.174 -2.323 1.00 3.64 H new ATOM 0 HG3 LYS A 47 -7.081 9.474 -3.697 1.00 3.64 H new ATOM 0 HD2 LYS A 47 -8.979 8.528 -4.522 1.00 4.17 H new ATOM 0 HD3 LYS A 47 -9.492 7.954 -2.947 1.00 4.17 H new ATOM 0 HE2 LYS A 47 -11.120 9.566 -3.721 1.00 5.03 H new ATOM 0 HE3 LYS A 47 -10.250 10.277 -2.376 1.00 5.03 H new ATOM 0 HZ1 LYS A 47 -10.500 11.847 -4.186 1.00 5.67 H new ATOM 0 HZ2 LYS A 47 -8.857 11.489 -3.954 1.00 5.67 H new ATOM 0 HZ3 LYS A 47 -9.700 10.800 -5.257 1.00 5.67 H new ATOM 695 N LEU A 48 -6.139 6.830 0.627 1.00 1.68 N ATOM 696 CA LEU A 48 -5.635 5.654 1.334 1.00 1.38 C ATOM 697 C LEU A 48 -6.017 5.690 2.814 1.00 1.28 C ATOM 698 O LEU A 48 -5.679 6.633 3.532 1.00 1.35 O ATOM 699 CB LEU A 48 -4.111 5.550 1.188 1.00 1.19 C ATOM 700 CG LEU A 48 -3.534 4.138 1.340 1.00 1.09 C ATOM 701 CD1 LEU A 48 -2.160 4.047 0.695 1.00 1.56 C ATOM 702 CD2 LEU A 48 -3.462 3.741 2.807 1.00 1.06 C ATOM 0 H LEU A 48 -5.465 7.590 0.540 1.00 1.68 H new ATOM 0 HA LEU A 48 -6.096 4.775 0.884 1.00 1.38 H new ATOM 0 HB2 LEU A 48 -3.829 5.937 0.209 1.00 1.19 H new ATOM 0 HB3 LEU A 48 -3.646 6.197 1.932 1.00 1.19 H new ATOM 0 HG LEU A 48 -4.200 3.442 0.829 1.00 1.09 H new ATOM 0 HD11 LEU A 48 -1.768 3.037 0.814 1.00 1.56 H new ATOM 0 HD12 LEU A 48 -2.240 4.282 -0.366 1.00 1.56 H new ATOM 0 HD13 LEU A 48 -1.485 4.757 1.174 1.00 1.56 H new ATOM 0 HD21 LEU A 48 -3.050 2.736 2.892 1.00 1.06 H new ATOM 0 HD22 LEU A 48 -2.822 4.442 3.343 1.00 1.06 H new ATOM 0 HD23 LEU A 48 -4.463 3.760 3.239 1.00 1.06 H new ATOM 714 N GLN A 49 -6.719 4.647 3.256 1.00 1.21 N ATOM 715 CA GLN A 49 -7.152 4.524 4.643 1.00 1.17 C ATOM 716 C GLN A 49 -6.793 3.139 5.188 1.00 1.09 C ATOM 717 O GLN A 49 -6.835 2.150 4.457 1.00 1.14 O ATOM 718 CB GLN A 49 -8.662 4.768 4.752 1.00 1.30 C ATOM 719 CG GLN A 49 -9.525 3.641 4.198 1.00 1.46 C ATOM 720 CD GLN A 49 -9.578 3.627 2.681 1.00 1.45 C ATOM 721 OE1 GLN A 49 -8.940 2.632 2.075 1.00 1.54 O flip ATOM 722 NE2 GLN A 49 -10.183 4.501 2.060 1.00 1.52 N flip ATOM 0 H GLN A 49 -7.002 3.867 2.663 1.00 1.21 H new ATOM 0 HA GLN A 49 -6.636 5.276 5.239 1.00 1.17 H new ATOM 0 HB2 GLN A 49 -8.918 4.923 5.800 1.00 1.30 H new ATOM 0 HB3 GLN A 49 -8.907 5.690 4.224 1.00 1.30 H new ATOM 0 HG2 GLN A 49 -9.137 2.686 4.552 1.00 1.46 H new ATOM 0 HG3 GLN A 49 -10.537 3.739 4.591 1.00 1.46 H new ATOM 0 HE21 GLN A 49 -10.660 5.248 2.565 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -10.207 4.478 1.041 1.00 1.52 H new ATOM 731 N ILE A 50 -6.435 3.074 6.472 1.00 1.06 N ATOM 732 CA ILE A 50 -6.065 1.803 7.105 1.00 1.03 C ATOM 733 C ILE A 50 -7.079 0.708 6.772 1.00 1.05 C ATOM 734 O ILE A 50 -8.280 0.878 6.993 1.00 1.16 O ATOM 735 CB ILE A 50 -5.949 1.942 8.641 1.00 1.08 C ATOM 736 CG1 ILE A 50 -4.974 3.065 9.008 1.00 1.76 C ATOM 737 CG2 ILE A 50 -5.501 0.624 9.264 1.00 1.14 C ATOM 738 CD1 ILE A 50 -5.650 4.286 9.595 1.00 2.56 C ATOM 0 H ILE A 50 -6.393 3.882 7.093 1.00 1.06 H new ATOM 0 HA ILE A 50 -5.090 1.524 6.706 1.00 1.03 H new ATOM 0 HB ILE A 50 -6.932 2.196 9.038 1.00 1.08 H new ATOM 0 HG12 ILE A 50 -4.246 2.683 9.724 1.00 1.76 H new ATOM 0 HG13 ILE A 50 -4.420 3.360 8.117 1.00 1.76 H new ATOM 0 HG21 ILE A 50 -5.425 0.740 10.345 1.00 1.14 H new ATOM 0 HG22 ILE A 50 -6.229 -0.154 9.033 1.00 1.14 H new ATOM 0 HG23 ILE A 50 -4.529 0.342 8.860 1.00 1.14 H new ATOM 0 HD11 ILE A 50 -4.899 5.040 9.831 1.00 2.56 H new ATOM 0 HD12 ILE A 50 -6.358 4.693 8.873 1.00 2.56 H new ATOM 0 HD13 ILE A 50 -6.181 4.006 10.505 1.00 2.56 H new ATOM 750 N GLY A 51 -6.590 -0.409 6.227 1.00 1.02 N ATOM 751 CA GLY A 51 -7.466 -1.510 5.855 1.00 1.10 C ATOM 752 C GLY A 51 -7.388 -1.857 4.376 1.00 1.04 C ATOM 753 O GLY A 51 -7.724 -2.978 3.990 1.00 1.03 O ATOM 0 H GLY A 51 -5.601 -0.569 6.037 1.00 1.02 H new ATOM 0 HA2 GLY A 51 -7.205 -2.390 6.443 1.00 1.10 H new ATOM 0 HA3 GLY A 51 -8.494 -1.251 6.108 1.00 1.10 H new ATOM 757 N ASP A 52 -6.945 -0.907 3.538 1.00 1.04 N ATOM 758 CA ASP A 52 -6.832 -1.154 2.109 1.00 1.01 C ATOM 759 C ASP A 52 -5.693 -2.124 1.803 1.00 0.91 C ATOM 760 O ASP A 52 -4.707 -2.204 2.552 1.00 0.88 O ATOM 761 CB ASP A 52 -6.629 0.155 1.330 1.00 1.03 C ATOM 762 CG ASP A 52 -5.609 1.089 1.951 1.00 1.11 C ATOM 763 OD1 ASP A 52 -4.574 0.606 2.460 1.00 1.55 O ATOM 764 OD2 ASP A 52 -5.846 2.311 1.914 1.00 1.56 O ATOM 0 H ASP A 52 -6.664 0.029 3.831 1.00 1.04 H new ATOM 0 HA ASP A 52 -7.770 -1.607 1.787 1.00 1.01 H new ATOM 0 HB2 ASP A 52 -6.317 -0.084 0.313 1.00 1.03 H new ATOM 0 HB3 ASP A 52 -7.585 0.674 1.256 1.00 1.03 H new ATOM 769 N LYS A 53 -5.833 -2.845 0.690 1.00 0.88 N ATOM 770 CA LYS A 53 -4.821 -3.804 0.260 1.00 0.82 C ATOM 771 C LYS A 53 -4.085 -3.292 -0.971 1.00 0.76 C ATOM 772 O LYS A 53 -4.643 -2.555 -1.783 1.00 0.87 O ATOM 773 CB LYS A 53 -5.454 -5.163 -0.043 1.00 0.94 C ATOM 774 CG LYS A 53 -6.611 -5.103 -1.026 1.00 1.33 C ATOM 775 CD LYS A 53 -7.927 -5.464 -0.355 1.00 1.83 C ATOM 776 CE LYS A 53 -8.600 -6.642 -1.045 1.00 2.37 C ATOM 777 NZ LYS A 53 -8.166 -7.950 -0.477 1.00 3.23 N ATOM 0 H LYS A 53 -6.640 -2.781 0.070 1.00 0.88 H new ATOM 0 HA LYS A 53 -4.107 -3.924 1.074 1.00 0.82 H new ATOM 0 HB2 LYS A 53 -4.688 -5.828 -0.441 1.00 0.94 H new ATOM 0 HB3 LYS A 53 -5.806 -5.604 0.890 1.00 0.94 H new ATOM 0 HG2 LYS A 53 -6.679 -4.101 -1.449 1.00 1.33 H new ATOM 0 HG3 LYS A 53 -6.423 -5.787 -1.854 1.00 1.33 H new ATOM 0 HD2 LYS A 53 -7.748 -5.708 0.692 1.00 1.83 H new ATOM 0 HD3 LYS A 53 -8.594 -4.602 -0.372 1.00 1.83 H new ATOM 0 HE2 LYS A 53 -9.682 -6.547 -0.949 1.00 2.37 H new ATOM 0 HE3 LYS A 53 -8.371 -6.616 -2.110 1.00 2.37 H new ATOM 0 HZ1 LYS A 53 -7.590 -8.459 -1.178 1.00 3.23 H new ATOM 0 HZ2 LYS A 53 -7.602 -7.786 0.381 1.00 3.23 H new ATOM 0 HZ3 LYS A 53 -9.003 -8.520 -0.238 1.00 3.23 H new ATOM 791 N LEU A 54 -2.822 -3.677 -1.084 1.00 0.64 N ATOM 792 CA LEU A 54 -1.991 -3.243 -2.197 1.00 0.66 C ATOM 793 C LEU A 54 -1.915 -4.296 -3.295 1.00 0.64 C ATOM 794 O LEU A 54 -1.319 -5.362 -3.120 1.00 0.79 O ATOM 795 CB LEU A 54 -0.590 -2.870 -1.710 1.00 0.73 C ATOM 796 CG LEU A 54 -0.182 -1.422 -1.992 1.00 0.83 C ATOM 797 CD1 LEU A 54 0.786 -0.920 -0.930 1.00 1.11 C ATOM 798 CD2 LEU A 54 0.427 -1.298 -3.381 1.00 1.72 C ATOM 0 H LEU A 54 -2.350 -4.289 -0.418 1.00 0.64 H new ATOM 0 HA LEU A 54 -2.460 -2.358 -2.627 1.00 0.66 H new ATOM 0 HB2 LEU A 54 -0.534 -3.047 -0.636 1.00 0.73 H new ATOM 0 HB3 LEU A 54 0.133 -3.536 -2.181 1.00 0.73 H new ATOM 0 HG LEU A 54 -1.077 -0.800 -1.956 1.00 0.83 H new ATOM 0 HD11 LEU A 54 1.064 0.111 -1.149 1.00 1.11 H new ATOM 0 HD12 LEU A 54 0.309 -0.967 0.049 1.00 1.11 H new ATOM 0 HD13 LEU A 54 1.680 -1.544 -0.928 1.00 1.11 H new ATOM 0 HD21 LEU A 54 0.711 -0.261 -3.563 1.00 1.72 H new ATOM 0 HD22 LEU A 54 1.310 -1.933 -3.449 1.00 1.72 H new ATOM 0 HD23 LEU A 54 -0.303 -1.611 -4.128 1.00 1.72 H new ATOM 810 N LEU A 55 -2.514 -3.966 -4.437 1.00 0.56 N ATOM 811 CA LEU A 55 -2.517 -4.846 -5.595 1.00 0.58 C ATOM 812 C LEU A 55 -1.186 -4.737 -6.333 1.00 0.54 C ATOM 813 O LEU A 55 -0.530 -5.749 -6.583 1.00 0.56 O ATOM 814 CB LEU A 55 -3.678 -4.497 -6.533 1.00 0.66 C ATOM 815 CG LEU A 55 -3.891 -5.470 -7.696 1.00 0.91 C ATOM 816 CD1 LEU A 55 -4.425 -6.803 -7.188 1.00 1.27 C ATOM 817 CD2 LEU A 55 -4.836 -4.868 -8.726 1.00 1.87 C ATOM 0 H LEU A 55 -3.007 -3.085 -4.582 1.00 0.56 H new ATOM 0 HA LEU A 55 -2.650 -5.873 -5.255 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -4.596 -4.450 -5.947 1.00 0.66 H new ATOM 0 HB3 LEU A 55 -3.508 -3.500 -6.940 1.00 0.66 H new ATOM 0 HG LEU A 55 -2.929 -5.650 -8.177 1.00 0.91 H new ATOM 0 HD11 LEU A 55 -4.570 -7.481 -8.029 1.00 1.27 H new ATOM 0 HD12 LEU A 55 -3.711 -7.239 -6.489 1.00 1.27 H new ATOM 0 HD13 LEU A 55 -5.377 -6.644 -6.682 1.00 1.27 H new ATOM 0 HD21 LEU A 55 -4.977 -5.572 -9.546 1.00 1.87 H new ATOM 0 HD22 LEU A 55 -5.798 -4.658 -8.258 1.00 1.87 H new ATOM 0 HD23 LEU A 55 -4.411 -3.942 -9.112 1.00 1.87 H new ATOM 829 N ALA A 56 -0.787 -3.505 -6.677 1.00 0.51 N ATOM 830 CA ALA A 56 0.477 -3.291 -7.382 1.00 0.49 C ATOM 831 C ALA A 56 1.066 -1.903 -7.089 1.00 0.53 C ATOM 832 O ALA A 56 0.340 -0.978 -6.729 1.00 0.67 O ATOM 833 CB ALA A 56 0.269 -3.467 -8.885 1.00 0.54 C ATOM 0 H ALA A 56 -1.315 -2.655 -6.481 1.00 0.51 H new ATOM 0 HA ALA A 56 1.190 -4.033 -7.022 1.00 0.49 H new ATOM 0 HB1 ALA A 56 1.214 -3.306 -9.404 1.00 0.54 H new ATOM 0 HB2 ALA A 56 -0.089 -4.476 -9.087 1.00 0.54 H new ATOM 0 HB3 ALA A 56 -0.466 -2.744 -9.238 1.00 0.54 H new ATOM 839 N VAL A 57 2.386 -1.766 -7.245 1.00 0.50 N ATOM 840 CA VAL A 57 3.064 -0.490 -7.004 1.00 0.59 C ATOM 841 C VAL A 57 4.123 -0.221 -8.072 1.00 0.53 C ATOM 842 O VAL A 57 5.113 -0.944 -8.170 1.00 0.52 O ATOM 843 CB VAL A 57 3.732 -0.426 -5.610 1.00 0.77 C ATOM 844 CG1 VAL A 57 2.889 0.397 -4.647 1.00 1.42 C ATOM 845 CG2 VAL A 57 3.976 -1.822 -5.055 1.00 1.47 C ATOM 0 H VAL A 57 3.005 -2.522 -7.537 1.00 0.50 H new ATOM 0 HA VAL A 57 2.289 0.275 -7.048 1.00 0.59 H new ATOM 0 HB VAL A 57 4.699 0.064 -5.723 1.00 0.77 H new ATOM 0 HG11 VAL A 57 3.377 0.429 -3.673 1.00 1.42 H new ATOM 0 HG12 VAL A 57 2.781 1.411 -5.033 1.00 1.42 H new ATOM 0 HG13 VAL A 57 1.904 -0.059 -4.545 1.00 1.42 H new ATOM 0 HG21 VAL A 57 4.446 -1.747 -4.075 1.00 1.47 H new ATOM 0 HG22 VAL A 57 3.026 -2.348 -4.962 1.00 1.47 H new ATOM 0 HG23 VAL A 57 4.631 -2.373 -5.730 1.00 1.47 H new ATOM 855 N ASN A 58 3.908 0.827 -8.871 1.00 0.57 N ATOM 856 CA ASN A 58 4.844 1.198 -9.937 1.00 0.58 C ATOM 857 C ASN A 58 4.950 0.092 -10.996 1.00 0.59 C ATOM 858 O ASN A 58 6.042 -0.214 -11.482 1.00 0.60 O ATOM 859 CB ASN A 58 6.228 1.514 -9.353 1.00 0.57 C ATOM 860 CG ASN A 58 6.242 2.797 -8.538 1.00 0.80 C ATOM 861 OD1 ASN A 58 5.448 2.967 -7.611 1.00 1.39 O ATOM 862 ND2 ASN A 58 7.148 3.708 -8.878 1.00 1.49 N ATOM 0 H ASN A 58 3.092 1.435 -8.800 1.00 0.57 H new ATOM 0 HA ASN A 58 4.457 2.093 -10.424 1.00 0.58 H new ATOM 0 HB2 ASN A 58 6.550 0.685 -8.723 1.00 0.57 H new ATOM 0 HB3 ASN A 58 6.950 1.596 -10.165 1.00 0.57 H new ATOM 0 HD21 ASN A 58 7.204 4.588 -8.365 1.00 1.49 H new ATOM 0 HD22 ASN A 58 7.787 3.528 -9.652 1.00 1.49 H new ATOM 869 N ASN A 59 3.797 -0.497 -11.344 1.00 0.60 N ATOM 870 CA ASN A 59 3.714 -1.570 -12.349 1.00 0.65 C ATOM 871 C ASN A 59 3.998 -2.959 -11.757 1.00 0.61 C ATOM 872 O ASN A 59 3.659 -3.969 -12.376 1.00 0.67 O ATOM 873 CB ASN A 59 4.664 -1.300 -13.523 1.00 0.71 C ATOM 874 CG ASN A 59 4.042 -1.648 -14.863 1.00 1.18 C ATOM 875 OD1 ASN A 59 3.529 -0.776 -15.565 1.00 1.74 O ATOM 876 ND2 ASN A 59 4.082 -2.926 -15.228 1.00 1.52 N ATOM 0 H ASN A 59 2.896 -0.244 -10.938 1.00 0.60 H new ATOM 0 HA ASN A 59 2.686 -1.571 -12.711 1.00 0.65 H new ATOM 0 HB2 ASN A 59 4.950 -0.248 -13.521 1.00 0.71 H new ATOM 0 HB3 ASN A 59 5.577 -1.879 -13.388 1.00 0.71 H new ATOM 0 HD21 ASN A 59 3.678 -3.215 -16.119 1.00 1.52 H new ATOM 0 HD22 ASN A 59 4.517 -3.618 -14.617 1.00 1.52 H new ATOM 883 N VAL A 60 4.604 -3.018 -10.566 1.00 0.53 N ATOM 884 CA VAL A 60 4.900 -4.301 -9.926 1.00 0.52 C ATOM 885 C VAL A 60 3.742 -4.732 -9.033 1.00 0.51 C ATOM 886 O VAL A 60 3.067 -3.893 -8.453 1.00 0.50 O ATOM 887 CB VAL A 60 6.198 -4.255 -9.079 1.00 0.50 C ATOM 888 CG1 VAL A 60 7.341 -3.622 -9.861 1.00 0.51 C ATOM 889 CG2 VAL A 60 5.979 -3.521 -7.760 1.00 0.54 C ATOM 0 H VAL A 60 4.896 -2.200 -10.031 1.00 0.53 H new ATOM 0 HA VAL A 60 5.044 -5.022 -10.730 1.00 0.52 H new ATOM 0 HB VAL A 60 6.471 -5.285 -8.847 1.00 0.50 H new ATOM 0 HG11 VAL A 60 8.238 -3.603 -9.242 1.00 0.51 H new ATOM 0 HG12 VAL A 60 7.533 -4.206 -10.761 1.00 0.51 H new ATOM 0 HG13 VAL A 60 7.071 -2.603 -10.140 1.00 0.51 H new ATOM 0 HG21 VAL A 60 6.909 -3.508 -7.192 1.00 0.54 H new ATOM 0 HG22 VAL A 60 5.662 -2.498 -7.961 1.00 0.54 H new ATOM 0 HG23 VAL A 60 5.209 -4.032 -7.183 1.00 0.54 H new ATOM 899 N CYS A 61 3.521 -6.038 -8.909 1.00 0.53 N ATOM 900 CA CYS A 61 2.444 -6.538 -8.061 1.00 0.54 C ATOM 901 C CYS A 61 2.926 -6.685 -6.621 1.00 0.58 C ATOM 902 O CYS A 61 3.982 -7.269 -6.368 1.00 0.72 O ATOM 903 CB CYS A 61 1.906 -7.869 -8.584 1.00 0.56 C ATOM 904 SG CYS A 61 3.118 -9.212 -8.600 1.00 0.71 S ATOM 0 H CYS A 61 4.066 -6.761 -9.379 1.00 0.53 H new ATOM 0 HA CYS A 61 1.630 -5.813 -8.085 1.00 0.54 H new ATOM 0 HB2 CYS A 61 1.057 -8.170 -7.970 1.00 0.56 H new ATOM 0 HB3 CYS A 61 1.531 -7.722 -9.597 1.00 0.56 H new ATOM 0 HG CYS A 61 4.014 -8.999 -7.683 1.00 0.71 H new ATOM 910 N LEU A 62 2.147 -6.150 -5.683 1.00 0.55 N ATOM 911 CA LEU A 62 2.492 -6.220 -4.267 1.00 0.62 C ATOM 912 C LEU A 62 1.692 -7.307 -3.536 1.00 0.58 C ATOM 913 O LEU A 62 1.405 -7.180 -2.340 1.00 0.51 O ATOM 914 CB LEU A 62 2.279 -4.854 -3.613 1.00 0.77 C ATOM 915 CG LEU A 62 3.382 -4.433 -2.637 1.00 0.95 C ATOM 916 CD1 LEU A 62 4.691 -4.203 -3.377 1.00 1.71 C ATOM 917 CD2 LEU A 62 2.973 -3.184 -1.869 1.00 1.08 C ATOM 0 H LEU A 62 1.272 -5.663 -5.879 1.00 0.55 H new ATOM 0 HA LEU A 62 3.544 -6.493 -4.189 1.00 0.62 H new ATOM 0 HB2 LEU A 62 2.198 -4.100 -4.396 1.00 0.77 H new ATOM 0 HB3 LEU A 62 1.327 -4.865 -3.082 1.00 0.77 H new ATOM 0 HG LEU A 62 3.531 -5.240 -1.920 1.00 0.95 H new ATOM 0 HD11 LEU A 62 5.463 -3.905 -2.667 1.00 1.71 H new ATOM 0 HD12 LEU A 62 4.993 -5.124 -3.876 1.00 1.71 H new ATOM 0 HD13 LEU A 62 4.556 -3.416 -4.119 1.00 1.71 H new ATOM 0 HD21 LEU A 62 3.770 -2.902 -1.181 1.00 1.08 H new ATOM 0 HD22 LEU A 62 2.793 -2.369 -2.570 1.00 1.08 H new ATOM 0 HD23 LEU A 62 2.062 -3.386 -1.305 1.00 1.08 H new ATOM 929 N GLU A 63 1.332 -8.372 -4.255 1.00 0.72 N ATOM 930 CA GLU A 63 0.569 -9.469 -3.667 1.00 0.80 C ATOM 931 C GLU A 63 1.512 -10.521 -3.068 1.00 0.95 C ATOM 932 O GLU A 63 2.068 -10.295 -1.996 1.00 1.83 O ATOM 933 CB GLU A 63 -0.371 -10.084 -4.710 1.00 0.86 C ATOM 934 CG GLU A 63 -1.531 -9.178 -5.092 1.00 1.12 C ATOM 935 CD GLU A 63 -1.949 -9.342 -6.542 1.00 1.31 C ATOM 936 OE1 GLU A 63 -1.350 -8.674 -7.412 1.00 1.65 O ATOM 937 OE2 GLU A 63 -2.875 -10.137 -6.807 1.00 1.96 O ATOM 0 H GLU A 63 1.557 -8.496 -5.242 1.00 0.72 H new ATOM 0 HA GLU A 63 -0.044 -9.076 -2.856 1.00 0.80 H new ATOM 0 HB2 GLU A 63 0.201 -10.325 -5.606 1.00 0.86 H new ATOM 0 HB3 GLU A 63 -0.766 -11.023 -4.322 1.00 0.86 H new ATOM 0 HG2 GLU A 63 -2.382 -9.393 -4.446 1.00 1.12 H new ATOM 0 HG3 GLU A 63 -1.250 -8.140 -4.914 1.00 1.12 H new ATOM 944 N GLU A 64 1.653 -11.683 -3.733 1.00 1.04 N ATOM 945 CA GLU A 64 2.500 -12.780 -3.239 1.00 1.08 C ATOM 946 C GLU A 64 3.987 -12.400 -3.123 1.00 0.90 C ATOM 947 O GLU A 64 4.842 -12.944 -3.825 1.00 0.96 O ATOM 948 CB GLU A 64 2.340 -14.003 -4.134 1.00 1.28 C ATOM 949 CG GLU A 64 0.935 -14.584 -4.130 1.00 1.53 C ATOM 950 CD GLU A 64 0.915 -16.077 -4.392 1.00 2.14 C ATOM 951 OE1 GLU A 64 0.938 -16.473 -5.577 1.00 2.40 O ATOM 952 OE2 GLU A 64 0.875 -16.851 -3.412 1.00 2.93 O ATOM 0 H GLU A 64 1.188 -11.885 -4.618 1.00 1.04 H new ATOM 0 HA GLU A 64 2.160 -13.006 -2.229 1.00 1.08 H new ATOM 0 HB2 GLU A 64 2.609 -13.733 -5.155 1.00 1.28 H new ATOM 0 HB3 GLU A 64 3.042 -14.772 -3.812 1.00 1.28 H new ATOM 0 HG2 GLU A 64 0.466 -14.383 -3.167 1.00 1.53 H new ATOM 0 HG3 GLU A 64 0.336 -14.079 -4.888 1.00 1.53 H new ATOM 959 N VAL A 65 4.276 -11.470 -2.215 1.00 0.80 N ATOM 960 CA VAL A 65 5.642 -11.009 -1.969 1.00 0.64 C ATOM 961 C VAL A 65 5.925 -10.941 -0.476 1.00 0.64 C ATOM 962 O VAL A 65 5.003 -10.788 0.329 1.00 0.70 O ATOM 963 CB VAL A 65 5.912 -9.614 -2.570 1.00 0.56 C ATOM 964 CG1 VAL A 65 6.036 -9.690 -4.084 1.00 0.64 C ATOM 965 CG2 VAL A 65 4.826 -8.626 -2.162 1.00 0.59 C ATOM 0 H VAL A 65 3.574 -11.016 -1.631 1.00 0.80 H new ATOM 0 HA VAL A 65 6.297 -11.733 -2.453 1.00 0.64 H new ATOM 0 HB VAL A 65 6.861 -9.254 -2.172 1.00 0.56 H new ATOM 0 HG11 VAL A 65 6.226 -8.694 -4.484 1.00 0.64 H new ATOM 0 HG12 VAL A 65 6.861 -10.351 -4.349 1.00 0.64 H new ATOM 0 HG13 VAL A 65 5.110 -10.080 -4.506 1.00 0.64 H new ATOM 0 HG21 VAL A 65 5.039 -7.650 -2.598 1.00 0.59 H new ATOM 0 HG22 VAL A 65 3.859 -8.980 -2.520 1.00 0.59 H new ATOM 0 HG23 VAL A 65 4.802 -8.540 -1.076 1.00 0.59 H new ATOM 975 N THR A 66 7.201 -11.022 -0.106 1.00 0.63 N ATOM 976 CA THR A 66 7.587 -10.937 1.297 1.00 0.69 C ATOM 977 C THR A 66 7.439 -9.496 1.781 1.00 0.61 C ATOM 978 O THR A 66 7.384 -8.564 0.971 1.00 0.66 O ATOM 979 CB THR A 66 9.026 -11.423 1.502 1.00 0.74 C ATOM 980 OG1 THR A 66 9.874 -10.965 0.458 1.00 1.53 O ATOM 981 CG2 THR A 66 9.143 -12.934 1.572 1.00 1.17 C ATOM 0 H THR A 66 7.979 -11.145 -0.754 1.00 0.63 H new ATOM 0 HA THR A 66 6.930 -11.583 1.879 1.00 0.69 H new ATOM 0 HB THR A 66 9.335 -11.007 2.461 1.00 0.74 H new ATOM 0 HG1 THR A 66 10.743 -11.413 0.522 1.00 1.53 H new ATOM 0 HG21 THR A 66 10.187 -13.212 1.718 1.00 1.17 H new ATOM 0 HG22 THR A 66 8.548 -13.307 2.406 1.00 1.17 H new ATOM 0 HG23 THR A 66 8.778 -13.371 0.642 1.00 1.17 H new ATOM 989 N HIS A 67 7.350 -9.316 3.096 1.00 0.51 N ATOM 990 CA HIS A 67 7.181 -7.974 3.656 1.00 0.45 C ATOM 991 C HIS A 67 8.236 -7.011 3.109 1.00 0.43 C ATOM 992 O HIS A 67 7.936 -5.844 2.850 1.00 0.41 O ATOM 993 CB HIS A 67 7.176 -7.976 5.192 1.00 0.45 C ATOM 994 CG HIS A 67 6.846 -6.634 5.762 1.00 0.46 C ATOM 995 ND1 HIS A 67 7.535 -5.466 5.754 1.00 0.51 N flip ATOM 996 CD2 HIS A 67 5.646 -6.361 6.373 1.00 0.49 C flip ATOM 997 CE1 HIS A 67 6.739 -4.522 6.349 1.00 0.54 C flip ATOM 998 NE2 HIS A 67 5.606 -5.088 6.708 1.00 0.52 N flip ATOM 0 H HIS A 67 7.391 -10.067 3.785 1.00 0.51 H new ATOM 0 HA HIS A 67 6.200 -7.621 3.338 1.00 0.45 H new ATOM 0 HB2 HIS A 67 6.452 -8.708 5.549 1.00 0.45 H new ATOM 0 HB3 HIS A 67 8.154 -8.292 5.556 1.00 0.45 H new ATOM 0 HD1 HIS A 67 8.471 -5.318 5.376 1.00 0.51 H new ATOM 0 HD2 HIS A 67 4.859 -7.078 6.551 1.00 0.49 H new ATOM 0 HE1 HIS A 67 6.999 -3.484 6.499 1.00 0.54 H new ATOM 1007 N GLU A 68 9.464 -7.501 2.927 1.00 0.45 N ATOM 1008 CA GLU A 68 10.549 -6.671 2.397 1.00 0.45 C ATOM 1009 C GLU A 68 10.152 -6.040 1.062 1.00 0.42 C ATOM 1010 O GLU A 68 10.432 -4.867 0.823 1.00 0.41 O ATOM 1011 CB GLU A 68 11.840 -7.485 2.236 1.00 0.49 C ATOM 1012 CG GLU A 68 11.635 -8.863 1.620 1.00 1.43 C ATOM 1013 CD GLU A 68 11.880 -9.990 2.608 1.00 2.13 C ATOM 1014 OE1 GLU A 68 11.194 -10.027 3.653 1.00 2.59 O ATOM 1015 OE2 GLU A 68 12.756 -10.837 2.335 1.00 2.90 O ATOM 0 H GLU A 68 9.732 -8.463 3.137 1.00 0.45 H new ATOM 0 HA GLU A 68 10.734 -5.873 3.116 1.00 0.45 H new ATOM 0 HB2 GLU A 68 12.537 -6.922 1.615 1.00 0.49 H new ATOM 0 HB3 GLU A 68 12.307 -7.602 3.214 1.00 0.49 H new ATOM 0 HG2 GLU A 68 10.618 -8.937 1.236 1.00 1.43 H new ATOM 0 HG3 GLU A 68 12.306 -8.979 0.769 1.00 1.43 H new ATOM 1022 N GLU A 69 9.482 -6.819 0.202 1.00 0.44 N ATOM 1023 CA GLU A 69 9.033 -6.318 -1.098 1.00 0.43 C ATOM 1024 C GLU A 69 8.005 -5.199 -0.914 1.00 0.41 C ATOM 1025 O GLU A 69 8.009 -4.217 -1.660 1.00 0.41 O ATOM 1026 CB GLU A 69 8.443 -7.450 -1.950 1.00 0.46 C ATOM 1027 CG GLU A 69 8.997 -7.495 -3.365 1.00 0.76 C ATOM 1028 CD GLU A 69 8.491 -6.351 -4.224 1.00 1.07 C ATOM 1029 OE1 GLU A 69 7.407 -6.497 -4.829 1.00 1.70 O ATOM 1030 OE2 GLU A 69 9.176 -5.308 -4.291 1.00 1.84 O ATOM 0 H GLU A 69 9.241 -7.793 0.384 1.00 0.44 H new ATOM 0 HA GLU A 69 9.899 -5.915 -1.622 1.00 0.43 H new ATOM 0 HB2 GLU A 69 8.641 -8.404 -1.460 1.00 0.46 H new ATOM 0 HB3 GLU A 69 7.360 -7.333 -1.996 1.00 0.46 H new ATOM 0 HG2 GLU A 69 10.086 -7.462 -3.327 1.00 0.76 H new ATOM 0 HG3 GLU A 69 8.723 -8.442 -3.829 1.00 0.76 H new ATOM 1037 N ALA A 70 7.143 -5.342 0.101 1.00 0.41 N ATOM 1038 CA ALA A 70 6.126 -4.332 0.406 1.00 0.41 C ATOM 1039 C ALA A 70 6.781 -2.991 0.742 1.00 0.40 C ATOM 1040 O ALA A 70 6.305 -1.929 0.334 1.00 0.42 O ATOM 1041 CB ALA A 70 5.273 -4.791 1.578 1.00 0.44 C ATOM 0 H ALA A 70 7.131 -6.149 0.725 1.00 0.41 H new ATOM 0 HA ALA A 70 5.495 -4.203 -0.473 1.00 0.41 H new ATOM 0 HB1 ALA A 70 4.520 -4.035 1.798 1.00 0.44 H new ATOM 0 HB2 ALA A 70 4.781 -5.730 1.324 1.00 0.44 H new ATOM 0 HB3 ALA A 70 5.906 -4.938 2.453 1.00 0.44 H new ATOM 1047 N VAL A 71 7.884 -3.062 1.488 1.00 0.40 N ATOM 1048 CA VAL A 71 8.627 -1.874 1.894 1.00 0.42 C ATOM 1049 C VAL A 71 9.536 -1.369 0.774 1.00 0.41 C ATOM 1050 O VAL A 71 9.665 -0.163 0.573 1.00 0.42 O ATOM 1051 CB VAL A 71 9.476 -2.153 3.158 1.00 0.48 C ATOM 1052 CG1 VAL A 71 10.463 -1.020 3.417 1.00 0.52 C ATOM 1053 CG2 VAL A 71 8.580 -2.369 4.370 1.00 0.50 C ATOM 0 H VAL A 71 8.283 -3.938 1.824 1.00 0.40 H new ATOM 0 HA VAL A 71 7.891 -1.103 2.120 1.00 0.42 H new ATOM 0 HB VAL A 71 10.047 -3.065 2.984 1.00 0.48 H new ATOM 0 HG11 VAL A 71 11.046 -1.243 4.311 1.00 0.52 H new ATOM 0 HG12 VAL A 71 11.133 -0.918 2.563 1.00 0.52 H new ATOM 0 HG13 VAL A 71 9.917 -0.088 3.563 1.00 0.52 H new ATOM 0 HG21 VAL A 71 9.196 -2.564 5.248 1.00 0.50 H new ATOM 0 HG22 VAL A 71 7.977 -1.477 4.540 1.00 0.50 H new ATOM 0 HG23 VAL A 71 7.925 -3.221 4.191 1.00 0.50 H new ATOM 1063 N THR A 72 10.166 -2.298 0.052 1.00 0.43 N ATOM 1064 CA THR A 72 11.072 -1.953 -1.042 1.00 0.47 C ATOM 1065 C THR A 72 10.340 -1.260 -2.193 1.00 0.42 C ATOM 1066 O THR A 72 10.890 -0.359 -2.828 1.00 0.44 O ATOM 1067 CB THR A 72 11.782 -3.212 -1.557 1.00 0.53 C ATOM 1068 OG1 THR A 72 12.588 -3.779 -0.540 1.00 0.60 O ATOM 1069 CG2 THR A 72 12.674 -2.958 -2.757 1.00 0.61 C ATOM 0 H THR A 72 10.063 -3.301 0.208 1.00 0.43 H new ATOM 0 HA THR A 72 11.809 -1.253 -0.648 1.00 0.47 H new ATOM 0 HB THR A 72 10.982 -3.888 -1.859 1.00 0.53 H new ATOM 0 HG1 THR A 72 12.020 -4.260 0.097 1.00 0.60 H new ATOM 0 HG21 THR A 72 13.143 -3.892 -3.066 1.00 0.61 H new ATOM 0 HG22 THR A 72 12.076 -2.563 -3.578 1.00 0.61 H new ATOM 0 HG23 THR A 72 13.446 -2.236 -2.490 1.00 0.61 H new ATOM 1077 N ALA A 73 9.108 -1.689 -2.469 1.00 0.37 N ATOM 1078 CA ALA A 73 8.312 -1.119 -3.554 1.00 0.36 C ATOM 1079 C ALA A 73 7.710 0.223 -3.160 1.00 0.34 C ATOM 1080 O ALA A 73 7.671 1.151 -3.970 1.00 0.36 O ATOM 1081 CB ALA A 73 7.214 -2.088 -3.968 1.00 0.41 C ATOM 0 H ALA A 73 8.639 -2.433 -1.953 1.00 0.37 H new ATOM 0 HA ALA A 73 8.977 -0.950 -4.401 1.00 0.36 H new ATOM 0 HB1 ALA A 73 6.629 -1.651 -4.777 1.00 0.41 H new ATOM 0 HB2 ALA A 73 7.662 -3.022 -4.308 1.00 0.41 H new ATOM 0 HB3 ALA A 73 6.564 -2.287 -3.116 1.00 0.41 H new ATOM 1087 N LEU A 74 7.253 0.332 -1.909 1.00 0.33 N ATOM 1088 CA LEU A 74 6.671 1.574 -1.416 1.00 0.37 C ATOM 1089 C LEU A 74 7.749 2.628 -1.201 1.00 0.38 C ATOM 1090 O LEU A 74 7.503 3.825 -1.357 1.00 0.44 O ATOM 1091 CB LEU A 74 5.929 1.310 -0.110 1.00 0.41 C ATOM 1092 CG LEU A 74 4.445 1.019 -0.280 1.00 0.61 C ATOM 1093 CD1 LEU A 74 4.223 -0.183 -1.190 1.00 1.73 C ATOM 1094 CD2 LEU A 74 3.795 0.792 1.070 1.00 1.13 C ATOM 0 H LEU A 74 7.277 -0.424 -1.225 1.00 0.33 H new ATOM 0 HA LEU A 74 5.970 1.950 -2.161 1.00 0.37 H new ATOM 0 HB2 LEU A 74 6.397 0.466 0.396 1.00 0.41 H new ATOM 0 HB3 LEU A 74 6.045 2.176 0.542 1.00 0.41 H new ATOM 0 HG LEU A 74 3.980 1.886 -0.750 1.00 0.61 H new ATOM 0 HD11 LEU A 74 3.154 -0.368 -1.294 1.00 1.73 H new ATOM 0 HD12 LEU A 74 4.653 0.019 -2.171 1.00 1.73 H new ATOM 0 HD13 LEU A 74 4.703 -1.061 -0.757 1.00 1.73 H new ATOM 0 HD21 LEU A 74 2.734 0.585 0.933 1.00 1.13 H new ATOM 0 HD22 LEU A 74 4.269 -0.056 1.564 1.00 1.13 H new ATOM 0 HD23 LEU A 74 3.914 1.684 1.686 1.00 1.13 H new ATOM 1106 N LYS A 75 8.944 2.165 -0.849 1.00 0.38 N ATOM 1107 CA LYS A 75 10.078 3.062 -0.613 1.00 0.47 C ATOM 1108 C LYS A 75 10.740 3.500 -1.927 1.00 0.49 C ATOM 1109 O LYS A 75 11.389 4.546 -1.973 1.00 0.59 O ATOM 1110 CB LYS A 75 11.114 2.406 0.310 1.00 0.57 C ATOM 1111 CG LYS A 75 12.017 1.392 -0.382 1.00 0.64 C ATOM 1112 CD LYS A 75 13.465 1.538 0.059 1.00 1.05 C ATOM 1113 CE LYS A 75 13.699 0.908 1.425 1.00 0.88 C ATOM 1114 NZ LYS A 75 13.739 1.928 2.510 1.00 1.44 N ATOM 0 H LYS A 75 9.156 1.176 -0.720 1.00 0.38 H new ATOM 0 HA LYS A 75 9.686 3.953 -0.122 1.00 0.47 H new ATOM 0 HB2 LYS A 75 11.735 3.185 0.752 1.00 0.57 H new ATOM 0 HB3 LYS A 75 10.592 1.911 1.129 1.00 0.57 H new ATOM 0 HG2 LYS A 75 11.669 0.383 -0.160 1.00 0.64 H new ATOM 0 HG3 LYS A 75 11.950 1.522 -1.462 1.00 0.64 H new ATOM 0 HD2 LYS A 75 14.119 1.069 -0.676 1.00 1.05 H new ATOM 0 HD3 LYS A 75 13.731 2.594 0.094 1.00 1.05 H new ATOM 0 HE2 LYS A 75 12.907 0.188 1.633 1.00 0.88 H new ATOM 0 HE3 LYS A 75 14.638 0.354 1.413 1.00 0.88 H new ATOM 0 HZ1 LYS A 75 13.900 1.457 3.423 1.00 1.44 H new ATOM 0 HZ2 LYS A 75 14.511 2.600 2.326 1.00 1.44 H new ATOM 0 HZ3 LYS A 75 12.834 2.439 2.539 1.00 1.44 H new ATOM 1128 N ASN A 76 10.580 2.694 -2.984 1.00 0.48 N ATOM 1129 CA ASN A 76 11.170 3.006 -4.288 1.00 0.59 C ATOM 1130 C ASN A 76 10.366 4.090 -5.013 1.00 0.69 C ATOM 1131 O ASN A 76 9.701 3.824 -6.017 1.00 1.15 O ATOM 1132 CB ASN A 76 11.255 1.739 -5.149 1.00 0.64 C ATOM 1133 CG ASN A 76 12.122 1.929 -6.379 1.00 0.85 C ATOM 1134 OD1 ASN A 76 13.348 1.999 -6.282 1.00 0.90 O ATOM 1135 ND2 ASN A 76 11.493 2.019 -7.546 1.00 1.55 N ATOM 0 H ASN A 76 10.048 1.824 -2.960 1.00 0.48 H new ATOM 0 HA ASN A 76 12.177 3.388 -4.121 1.00 0.59 H new ATOM 0 HB2 ASN A 76 11.656 0.922 -4.549 1.00 0.64 H new ATOM 0 HB3 ASN A 76 10.252 1.445 -5.458 1.00 0.64 H new ATOM 0 HD21 ASN A 76 12.028 2.151 -8.405 1.00 1.55 H new ATOM 0 HD22 ASN A 76 10.476 1.956 -7.583 1.00 1.55 H new ATOM 1142 N THR A 77 10.427 5.314 -4.486 1.00 0.90 N ATOM 1143 CA THR A 77 9.707 6.444 -5.066 1.00 1.07 C ATOM 1144 C THR A 77 10.661 7.591 -5.403 1.00 0.80 C ATOM 1145 O THR A 77 11.473 7.998 -4.570 1.00 1.47 O ATOM 1146 CB THR A 77 8.620 6.928 -4.100 1.00 2.00 C ATOM 1147 OG1 THR A 77 9.137 7.073 -2.787 1.00 2.60 O ATOM 1148 CG2 THR A 77 7.431 5.993 -4.024 1.00 2.53 C ATOM 0 H THR A 77 10.971 5.546 -3.655 1.00 0.90 H new ATOM 0 HA THR A 77 9.239 6.109 -5.992 1.00 1.07 H new ATOM 0 HB THR A 77 8.287 7.886 -4.498 1.00 2.00 H new ATOM 0 HG1 THR A 77 10.080 7.335 -2.834 1.00 2.60 H new ATOM 0 HG21 THR A 77 6.698 6.393 -3.323 1.00 2.53 H new ATOM 0 HG22 THR A 77 6.977 5.901 -5.011 1.00 2.53 H new ATOM 0 HG23 THR A 77 7.761 5.012 -3.683 1.00 2.53 H new ATOM 1156 N SER A 78 10.553 8.106 -6.629 1.00 1.14 N ATOM 1157 CA SER A 78 11.401 9.209 -7.079 1.00 1.74 C ATOM 1158 C SER A 78 10.601 10.512 -7.145 1.00 1.42 C ATOM 1159 O SER A 78 10.650 11.322 -6.219 1.00 1.44 O ATOM 1160 CB SER A 78 12.022 8.884 -8.443 1.00 2.76 C ATOM 1161 OG SER A 78 12.829 9.956 -8.907 1.00 3.36 O ATOM 0 H SER A 78 9.887 7.776 -7.327 1.00 1.14 H new ATOM 0 HA SER A 78 12.207 9.342 -6.357 1.00 1.74 H new ATOM 0 HB2 SER A 78 12.624 7.979 -8.365 1.00 2.76 H new ATOM 0 HB3 SER A 78 11.232 8.680 -9.166 1.00 2.76 H new ATOM 0 HG SER A 78 12.300 10.532 -9.498 1.00 3.36 H new ATOM 1167 N ASP A 79 9.863 10.708 -8.241 1.00 1.32 N ATOM 1168 CA ASP A 79 9.051 11.910 -8.420 1.00 1.18 C ATOM 1169 C ASP A 79 7.590 11.627 -8.077 1.00 0.99 C ATOM 1170 O ASP A 79 6.964 12.376 -7.326 1.00 0.92 O ATOM 1171 CB ASP A 79 9.162 12.419 -9.861 1.00 1.46 C ATOM 1172 CG ASP A 79 10.588 12.765 -10.249 1.00 1.61 C ATOM 1173 OD1 ASP A 79 11.009 13.914 -9.998 1.00 2.07 O ATOM 1174 OD2 ASP A 79 11.283 11.887 -10.802 1.00 2.23 O ATOM 0 H ASP A 79 9.813 10.048 -9.017 1.00 1.32 H new ATOM 0 HA ASP A 79 9.425 12.679 -7.744 1.00 1.18 H new ATOM 0 HB2 ASP A 79 8.778 11.659 -10.542 1.00 1.46 H new ATOM 0 HB3 ASP A 79 8.533 13.301 -9.981 1.00 1.46 H new ATOM 1179 N PHE A 80 7.057 10.535 -8.627 1.00 0.97 N ATOM 1180 CA PHE A 80 5.674 10.139 -8.379 1.00 0.85 C ATOM 1181 C PHE A 80 5.598 8.668 -7.977 1.00 0.82 C ATOM 1182 O PHE A 80 6.574 7.927 -8.125 1.00 0.92 O ATOM 1183 CB PHE A 80 4.820 10.388 -9.622 1.00 0.92 C ATOM 1184 CG PHE A 80 3.726 11.389 -9.399 1.00 0.94 C ATOM 1185 CD1 PHE A 80 3.976 12.746 -9.521 1.00 1.68 C ATOM 1186 CD2 PHE A 80 2.448 10.974 -9.058 1.00 1.39 C ATOM 1187 CE1 PHE A 80 2.974 13.671 -9.309 1.00 1.77 C ATOM 1188 CE2 PHE A 80 1.442 11.895 -8.846 1.00 1.43 C ATOM 1189 CZ PHE A 80 1.705 13.245 -8.970 1.00 1.14 C ATOM 0 H PHE A 80 7.567 9.908 -9.250 1.00 0.97 H new ATOM 0 HA PHE A 80 5.287 10.743 -7.558 1.00 0.85 H new ATOM 0 HB2 PHE A 80 5.462 10.736 -10.432 1.00 0.92 H new ATOM 0 HB3 PHE A 80 4.380 9.445 -9.947 1.00 0.92 H new ATOM 0 HD1 PHE A 80 4.967 13.084 -9.785 1.00 1.68 H new ATOM 0 HD2 PHE A 80 2.237 9.920 -8.957 1.00 1.39 H new ATOM 0 HE1 PHE A 80 3.182 14.726 -9.408 1.00 1.77 H new ATOM 0 HE2 PHE A 80 0.449 11.560 -8.583 1.00 1.43 H new ATOM 0 HZ PHE A 80 0.919 13.967 -8.802 1.00 1.14 H new ATOM 1199 N VAL A 81 4.432 8.240 -7.492 1.00 0.75 N ATOM 1200 CA VAL A 81 4.224 6.851 -7.102 1.00 0.77 C ATOM 1201 C VAL A 81 2.812 6.408 -7.485 1.00 0.65 C ATOM 1202 O VAL A 81 1.823 6.991 -7.029 1.00 0.59 O ATOM 1203 CB VAL A 81 4.459 6.634 -5.586 1.00 0.88 C ATOM 1204 CG1 VAL A 81 3.463 7.426 -4.751 1.00 1.19 C ATOM 1205 CG2 VAL A 81 4.395 5.152 -5.241 1.00 1.58 C ATOM 0 H VAL A 81 3.617 8.839 -7.361 1.00 0.75 H new ATOM 0 HA VAL A 81 4.955 6.244 -7.636 1.00 0.77 H new ATOM 0 HB VAL A 81 5.457 7.002 -5.347 1.00 0.88 H new ATOM 0 HG11 VAL A 81 3.656 7.251 -3.692 1.00 1.19 H new ATOM 0 HG12 VAL A 81 3.570 8.489 -4.969 1.00 1.19 H new ATOM 0 HG13 VAL A 81 2.450 7.106 -4.993 1.00 1.19 H new ATOM 0 HG21 VAL A 81 4.562 5.020 -4.172 1.00 1.58 H new ATOM 0 HG22 VAL A 81 3.414 4.759 -5.506 1.00 1.58 H new ATOM 0 HG23 VAL A 81 5.163 4.615 -5.798 1.00 1.58 H new ATOM 1215 N TYR A 82 2.718 5.384 -8.331 1.00 0.72 N ATOM 1216 CA TYR A 82 1.421 4.884 -8.772 1.00 0.69 C ATOM 1217 C TYR A 82 0.993 3.681 -7.941 1.00 0.67 C ATOM 1218 O TYR A 82 1.443 2.555 -8.166 1.00 0.77 O ATOM 1219 CB TYR A 82 1.464 4.524 -10.256 1.00 0.85 C ATOM 1220 CG TYR A 82 0.105 4.473 -10.911 1.00 0.93 C ATOM 1221 CD1 TYR A 82 -0.642 3.304 -10.898 1.00 1.57 C ATOM 1222 CD2 TYR A 82 -0.428 5.588 -11.547 1.00 1.41 C ATOM 1223 CE1 TYR A 82 -1.882 3.247 -11.498 1.00 1.72 C ATOM 1224 CE2 TYR A 82 -1.668 5.537 -12.148 1.00 1.55 C ATOM 1225 CZ TYR A 82 -2.392 4.365 -12.122 1.00 1.33 C ATOM 1226 OH TYR A 82 -3.628 4.311 -12.722 1.00 1.58 O ATOM 0 H TYR A 82 3.519 4.888 -8.722 1.00 0.72 H new ATOM 0 HA TYR A 82 0.684 5.674 -8.629 1.00 0.69 H new ATOM 0 HB2 TYR A 82 2.082 5.254 -10.779 1.00 0.85 H new ATOM 0 HB3 TYR A 82 1.949 3.555 -10.371 1.00 0.85 H new ATOM 0 HD1 TYR A 82 -0.246 2.425 -10.410 1.00 1.57 H new ATOM 0 HD2 TYR A 82 0.137 6.508 -11.571 1.00 1.41 H new ATOM 0 HE1 TYR A 82 -2.452 2.330 -11.479 1.00 1.72 H new ATOM 0 HE2 TYR A 82 -2.070 6.412 -12.637 1.00 1.55 H new ATOM 0 HH TYR A 82 -4.123 3.537 -12.382 1.00 1.58 H new ATOM 1236 N LEU A 83 0.135 3.945 -6.962 1.00 0.62 N ATOM 1237 CA LEU A 83 -0.355 2.909 -6.060 1.00 0.65 C ATOM 1238 C LEU A 83 -1.593 2.209 -6.618 1.00 0.66 C ATOM 1239 O LEU A 83 -2.567 2.858 -7.001 1.00 0.71 O ATOM 1240 CB LEU A 83 -0.673 3.515 -4.691 1.00 0.74 C ATOM 1241 CG LEU A 83 -0.796 2.506 -3.548 1.00 0.74 C ATOM 1242 CD1 LEU A 83 0.531 2.356 -2.818 1.00 1.34 C ATOM 1243 CD2 LEU A 83 -1.894 2.931 -2.582 1.00 1.38 C ATOM 0 H LEU A 83 -0.238 4.875 -6.772 1.00 0.62 H new ATOM 0 HA LEU A 83 0.432 2.162 -5.957 1.00 0.65 H new ATOM 0 HB2 LEU A 83 0.107 4.233 -4.439 1.00 0.74 H new ATOM 0 HB3 LEU A 83 -1.607 4.072 -4.765 1.00 0.74 H new ATOM 0 HG LEU A 83 -1.063 1.537 -3.971 1.00 0.74 H new ATOM 0 HD11 LEU A 83 0.422 1.634 -2.009 1.00 1.34 H new ATOM 0 HD12 LEU A 83 1.292 2.007 -3.515 1.00 1.34 H new ATOM 0 HD13 LEU A 83 0.831 3.320 -2.406 1.00 1.34 H new ATOM 0 HD21 LEU A 83 -1.970 2.203 -1.774 1.00 1.38 H new ATOM 0 HD22 LEU A 83 -1.655 3.910 -2.167 1.00 1.38 H new ATOM 0 HD23 LEU A 83 -2.845 2.984 -3.112 1.00 1.38 H new ATOM 1255 N LYS A 84 -1.544 0.877 -6.642 1.00 0.66 N ATOM 1256 CA LYS A 84 -2.655 0.064 -7.127 1.00 0.68 C ATOM 1257 C LYS A 84 -3.216 -0.778 -5.994 1.00 0.65 C ATOM 1258 O LYS A 84 -2.501 -1.583 -5.404 1.00 0.68 O ATOM 1259 CB LYS A 84 -2.214 -0.835 -8.289 1.00 0.69 C ATOM 1260 CG LYS A 84 -2.247 -0.145 -9.647 1.00 0.76 C ATOM 1261 CD LYS A 84 -3.590 0.521 -9.916 1.00 0.99 C ATOM 1262 CE LYS A 84 -4.746 -0.457 -9.770 1.00 1.18 C ATOM 1263 NZ LYS A 84 -6.005 0.080 -10.356 1.00 1.56 N ATOM 0 H LYS A 84 -0.738 0.336 -6.328 1.00 0.66 H new ATOM 0 HA LYS A 84 -3.434 0.733 -7.494 1.00 0.68 H new ATOM 0 HB2 LYS A 84 -1.202 -1.191 -8.097 1.00 0.69 H new ATOM 0 HB3 LYS A 84 -2.859 -1.713 -8.322 1.00 0.69 H new ATOM 0 HG2 LYS A 84 -1.456 0.603 -9.693 1.00 0.76 H new ATOM 0 HG3 LYS A 84 -2.041 -0.875 -10.430 1.00 0.76 H new ATOM 0 HD2 LYS A 84 -3.728 1.352 -9.225 1.00 0.99 H new ATOM 0 HD3 LYS A 84 -3.593 0.939 -10.923 1.00 0.99 H new ATOM 0 HE2 LYS A 84 -4.490 -1.397 -10.259 1.00 1.18 H new ATOM 0 HE3 LYS A 84 -4.903 -0.679 -8.714 1.00 1.18 H new ATOM 0 HZ1 LYS A 84 -6.801 -0.534 -10.090 1.00 1.56 H new ATOM 0 HZ2 LYS A 84 -6.173 1.041 -9.996 1.00 1.56 H new ATOM 0 HZ3 LYS A 84 -5.921 0.108 -11.392 1.00 1.56 H new ATOM 1277 N VAL A 85 -4.495 -0.573 -5.679 1.00 0.76 N ATOM 1278 CA VAL A 85 -5.145 -1.307 -4.599 1.00 0.74 C ATOM 1279 C VAL A 85 -6.374 -2.065 -5.099 1.00 0.91 C ATOM 1280 O VAL A 85 -7.195 -1.519 -5.841 1.00 1.17 O ATOM 1281 CB VAL A 85 -5.559 -0.369 -3.441 1.00 0.99 C ATOM 1282 CG1 VAL A 85 -4.328 0.200 -2.748 1.00 1.92 C ATOM 1283 CG2 VAL A 85 -6.462 0.754 -3.934 1.00 0.65 C ATOM 0 H VAL A 85 -5.099 0.095 -6.157 1.00 0.76 H new ATOM 0 HA VAL A 85 -4.413 -2.024 -4.226 1.00 0.74 H new ATOM 0 HB VAL A 85 -6.124 -0.959 -2.719 1.00 0.99 H new ATOM 0 HG11 VAL A 85 -4.639 0.858 -1.936 1.00 1.92 H new ATOM 0 HG12 VAL A 85 -3.728 -0.616 -2.345 1.00 1.92 H new ATOM 0 HG13 VAL A 85 -3.735 0.766 -3.466 1.00 1.92 H new ATOM 0 HG21 VAL A 85 -6.735 1.396 -3.096 1.00 0.65 H new ATOM 0 HG22 VAL A 85 -5.934 1.342 -4.685 1.00 0.65 H new ATOM 0 HG23 VAL A 85 -7.364 0.329 -4.375 1.00 0.65 H new ATOM 1293 N ALA A 86 -6.490 -3.328 -4.691 1.00 0.91 N ATOM 1294 CA ALA A 86 -7.616 -4.170 -5.093 1.00 1.24 C ATOM 1295 C ALA A 86 -8.768 -4.073 -4.095 1.00 1.27 C ATOM 1296 O ALA A 86 -8.558 -3.778 -2.917 1.00 1.09 O ATOM 1297 CB ALA A 86 -7.169 -5.617 -5.243 1.00 1.46 C ATOM 0 H ALA A 86 -5.817 -3.791 -4.081 1.00 0.91 H new ATOM 0 HA ALA A 86 -7.975 -3.808 -6.056 1.00 1.24 H new ATOM 0 HB1 ALA A 86 -8.018 -6.231 -5.543 1.00 1.46 H new ATOM 0 HB2 ALA A 86 -6.390 -5.680 -6.003 1.00 1.46 H new ATOM 0 HB3 ALA A 86 -6.778 -5.978 -4.291 1.00 1.46 H new ATOM 1303 N LYS A 87 -9.986 -4.326 -4.576 1.00 1.68 N ATOM 1304 CA LYS A 87 -11.178 -4.273 -3.729 1.00 1.86 C ATOM 1305 C LYS A 87 -11.584 -5.676 -3.274 1.00 1.91 C ATOM 1306 O LYS A 87 -11.716 -6.588 -4.094 1.00 2.04 O ATOM 1307 CB LYS A 87 -12.337 -3.607 -4.479 1.00 2.22 C ATOM 1308 CG LYS A 87 -12.474 -2.120 -4.192 1.00 2.53 C ATOM 1309 CD LYS A 87 -13.392 -1.860 -3.005 1.00 2.89 C ATOM 1310 CE LYS A 87 -14.573 -0.983 -3.391 1.00 3.28 C ATOM 1311 NZ LYS A 87 -15.659 -1.764 -4.049 1.00 4.20 N ATOM 0 H LYS A 87 -10.173 -4.570 -5.549 1.00 1.68 H new ATOM 0 HA LYS A 87 -10.941 -3.679 -2.846 1.00 1.86 H new ATOM 0 HB2 LYS A 87 -12.195 -3.750 -5.550 1.00 2.22 H new ATOM 0 HB3 LYS A 87 -13.267 -4.107 -4.211 1.00 2.22 H new ATOM 0 HG2 LYS A 87 -11.490 -1.695 -3.992 1.00 2.53 H new ATOM 0 HG3 LYS A 87 -12.866 -1.613 -5.074 1.00 2.53 H new ATOM 0 HD2 LYS A 87 -13.756 -2.809 -2.612 1.00 2.89 H new ATOM 0 HD3 LYS A 87 -12.827 -1.379 -2.206 1.00 2.89 H new ATOM 0 HE2 LYS A 87 -14.967 -0.494 -2.500 1.00 3.28 H new ATOM 0 HE3 LYS A 87 -14.235 -0.195 -4.064 1.00 3.28 H new ATOM 0 HZ1 LYS A 87 -16.444 -1.128 -4.295 1.00 4.20 H new ATOM 0 HZ2 LYS A 87 -15.291 -2.210 -4.913 1.00 4.20 H new ATOM 0 HZ3 LYS A 87 -16.001 -2.500 -3.398 1.00 4.20 H new ATOM 1325 N PRO A 88 -11.791 -5.868 -1.955 1.00 1.88 N ATOM 1326 CA PRO A 88 -12.184 -7.167 -1.392 1.00 2.01 C ATOM 1327 C PRO A 88 -13.624 -7.544 -1.741 1.00 2.20 C ATOM 1328 O PRO A 88 -14.464 -6.672 -1.973 1.00 2.28 O ATOM 1329 CB PRO A 88 -12.035 -6.958 0.117 1.00 1.98 C ATOM 1330 CG PRO A 88 -12.230 -5.495 0.315 1.00 1.91 C ATOM 1331 CD PRO A 88 -11.657 -4.834 -0.909 1.00 1.79 C ATOM 0 HA PRO A 88 -11.577 -7.982 -1.786 1.00 2.01 H new ATOM 0 HB2 PRO A 88 -12.775 -7.535 0.672 1.00 1.98 H new ATOM 0 HB3 PRO A 88 -11.053 -7.278 0.466 1.00 1.98 H new ATOM 0 HG2 PRO A 88 -13.287 -5.254 0.431 1.00 1.91 H new ATOM 0 HG3 PRO A 88 -11.724 -5.152 1.217 1.00 1.91 H new ATOM 0 HD2 PRO A 88 -12.204 -3.928 -1.169 1.00 1.79 H new ATOM 0 HD3 PRO A 88 -10.616 -4.547 -0.760 1.00 1.79 H new ATOM 1339 N THR A 89 -13.899 -8.848 -1.775 1.00 2.38 N ATOM 1340 CA THR A 89 -15.237 -9.345 -2.093 1.00 2.59 C ATOM 1341 C THR A 89 -15.554 -10.609 -1.293 1.00 2.77 C ATOM 1342 O THR A 89 -16.382 -10.580 -0.381 1.00 3.51 O ATOM 1343 CB THR A 89 -15.370 -9.623 -3.598 1.00 3.08 C ATOM 1344 OG1 THR A 89 -14.199 -10.244 -4.109 1.00 3.51 O ATOM 1345 CG2 THR A 89 -15.626 -8.375 -4.420 1.00 3.88 C ATOM 0 H THR A 89 -13.213 -9.579 -1.586 1.00 2.38 H new ATOM 0 HA THR A 89 -15.955 -8.573 -1.817 1.00 2.59 H new ATOM 0 HB THR A 89 -16.233 -10.282 -3.688 1.00 3.08 H new ATOM 0 HG1 THR A 89 -14.310 -10.412 -5.068 1.00 3.51 H new ATOM 0 HG21 THR A 89 -15.709 -8.644 -5.473 1.00 3.88 H new ATOM 0 HG22 THR A 89 -16.553 -7.906 -4.091 1.00 3.88 H new ATOM 0 HG23 THR A 89 -14.800 -7.677 -4.288 1.00 3.88 H new ATOM 1353 N GLY A 90 -14.888 -11.715 -1.636 1.00 2.75 N ATOM 1354 CA GLY A 90 -15.112 -12.972 -0.940 1.00 3.54 C ATOM 1355 C GLY A 90 -15.655 -14.056 -1.853 1.00 4.20 C ATOM 1356 O GLY A 90 -16.650 -13.847 -2.551 1.00 4.69 O ATOM 0 H GLY A 90 -14.197 -11.760 -2.385 1.00 2.75 H new ATOM 0 HA2 GLY A 90 -14.175 -13.310 -0.498 1.00 3.54 H new ATOM 0 HA3 GLY A 90 -15.811 -12.809 -0.120 1.00 3.54 H new ATOM 1360 N SER A 91 -14.999 -15.217 -1.849 1.00 4.69 N ATOM 1361 CA SER A 91 -15.417 -16.343 -2.681 1.00 5.64 C ATOM 1362 C SER A 91 -16.248 -17.343 -1.877 1.00 5.73 C ATOM 1363 O SER A 91 -17.288 -17.811 -2.343 1.00 6.47 O ATOM 1364 CB SER A 91 -14.196 -17.045 -3.282 1.00 6.57 C ATOM 1365 OG SER A 91 -13.654 -16.295 -4.355 1.00 7.06 O ATOM 0 H SER A 91 -14.175 -15.401 -1.277 1.00 4.69 H new ATOM 0 HA SER A 91 -16.036 -15.951 -3.488 1.00 5.64 H new ATOM 0 HB2 SER A 91 -13.437 -17.185 -2.512 1.00 6.57 H new ATOM 0 HB3 SER A 91 -14.479 -18.037 -3.634 1.00 6.57 H new ATOM 0 HG SER A 91 -12.875 -16.763 -4.721 1.00 7.06 H new ATOM 1371 N HIS A 92 -15.781 -17.665 -0.669 1.00 5.26 N ATOM 1372 CA HIS A 92 -16.480 -18.611 0.201 1.00 5.60 C ATOM 1373 C HIS A 92 -17.680 -17.950 0.877 1.00 5.37 C ATOM 1374 O HIS A 92 -17.582 -16.839 1.397 1.00 5.46 O ATOM 1375 CB HIS A 92 -15.526 -19.170 1.264 1.00 5.86 C ATOM 1376 CG HIS A 92 -14.267 -19.755 0.697 1.00 6.59 C ATOM 1377 ND1 HIS A 92 -13.080 -19.055 0.621 1.00 7.09 N ATOM 1378 CD2 HIS A 92 -14.012 -20.980 0.177 1.00 7.14 C ATOM 1379 CE1 HIS A 92 -12.152 -19.822 0.077 1.00 7.83 C ATOM 1380 NE2 HIS A 92 -12.692 -20.995 -0.201 1.00 7.84 N ATOM 0 H HIS A 92 -14.922 -17.284 -0.272 1.00 5.26 H new ATOM 0 HA HIS A 92 -16.841 -19.431 -0.420 1.00 5.60 H new ATOM 0 HB2 HIS A 92 -15.264 -18.373 1.960 1.00 5.86 H new ATOM 0 HB3 HIS A 92 -16.046 -19.937 1.839 1.00 5.86 H new ATOM 0 HD2 HIS A 92 -14.716 -21.793 0.078 1.00 7.14 H new ATOM 0 HE1 HIS A 92 -11.127 -19.538 -0.109 1.00 7.83 H new ATOM 0 HE2 HIS A 92 -12.207 -21.784 -0.628 1.00 7.84 H new TER 1389 HIS A 92 ATOM 1390 N ARG B 301 2.966 -12.186 11.542 1.00 1.88 N ATOM 1391 CA ARG B 301 2.509 -10.799 11.239 1.00 1.27 C ATOM 1392 C ARG B 301 3.617 -9.781 11.504 1.00 1.29 C ATOM 1393 O ARG B 301 4.181 -9.736 12.599 1.00 2.06 O ATOM 1394 CB ARG B 301 1.285 -10.481 12.104 1.00 1.61 C ATOM 1395 CG ARG B 301 0.076 -11.354 11.797 1.00 2.13 C ATOM 1396 CD ARG B 301 -1.212 -10.545 11.787 1.00 2.72 C ATOM 1397 NE ARG B 301 -2.198 -11.070 12.732 1.00 3.09 N ATOM 1398 CZ ARG B 301 -2.212 -10.784 14.039 1.00 3.70 C ATOM 1399 NH1 ARG B 301 -1.295 -9.976 14.566 1.00 4.18 N ATOM 1400 NH2 ARG B 301 -3.149 -11.310 14.820 1.00 4.22 N ATOM 0 HA ARG B 301 2.248 -10.736 10.183 1.00 1.27 H new ATOM 0 HB2 ARG B 301 1.552 -10.601 13.154 1.00 1.61 H new ATOM 0 HB3 ARG B 301 1.012 -9.435 11.962 1.00 1.61 H new ATOM 0 HG2 ARG B 301 0.211 -11.836 10.829 1.00 2.13 H new ATOM 0 HG3 ARG B 301 0.002 -12.148 12.540 1.00 2.13 H new ATOM 0 HD2 ARG B 301 -0.990 -9.507 12.035 1.00 2.72 H new ATOM 0 HD3 ARG B 301 -1.635 -10.550 10.782 1.00 2.72 H new ATOM 0 HE ARG B 301 -2.920 -11.693 12.372 1.00 3.09 H new ATOM 0 HH11 ARG B 301 -0.573 -9.568 13.972 1.00 4.18 H new ATOM 0 HH12 ARG B 301 -1.315 -9.764 15.564 1.00 4.18 H new ATOM 0 HH21 ARG B 301 -3.855 -11.930 14.423 1.00 4.22 H new ATOM 0 HH22 ARG B 301 -3.162 -11.094 15.817 1.00 4.22 H new ATOM 1416 N ARG B 302 3.923 -8.966 10.494 1.00 1.12 N ATOM 1417 CA ARG B 302 4.963 -7.947 10.616 1.00 1.03 C ATOM 1418 C ARG B 302 4.491 -6.612 10.044 1.00 1.02 C ATOM 1419 O ARG B 302 3.972 -6.552 8.928 1.00 1.45 O ATOM 1420 CB ARG B 302 6.239 -8.400 9.901 1.00 1.13 C ATOM 1421 CG ARG B 302 7.447 -7.513 10.191 1.00 1.12 C ATOM 1422 CD ARG B 302 8.605 -7.762 9.226 1.00 1.50 C ATOM 1423 NE ARG B 302 9.816 -7.046 9.630 1.00 2.09 N ATOM 1424 CZ ARG B 302 11.011 -7.217 9.060 1.00 2.72 C ATOM 1425 NH1 ARG B 302 11.165 -8.073 8.052 1.00 2.99 N ATOM 1426 NH2 ARG B 302 12.058 -6.527 9.500 1.00 3.57 N ATOM 0 H ARG B 302 3.465 -8.993 9.583 1.00 1.12 H new ATOM 0 HA ARG B 302 5.178 -7.811 11.676 1.00 1.03 H new ATOM 0 HB2 ARG B 302 6.469 -9.423 10.199 1.00 1.13 H new ATOM 0 HB3 ARG B 302 6.058 -8.414 8.826 1.00 1.13 H new ATOM 0 HG2 ARG B 302 7.147 -6.467 10.131 1.00 1.12 H new ATOM 0 HG3 ARG B 302 7.786 -7.689 11.212 1.00 1.12 H new ATOM 0 HD2 ARG B 302 8.814 -8.831 9.178 1.00 1.50 H new ATOM 0 HD3 ARG B 302 8.316 -7.449 8.223 1.00 1.50 H new ATOM 0 HE ARG B 302 9.742 -6.375 10.394 1.00 2.09 H new ATOM 0 HH11 ARG B 302 10.366 -8.605 7.708 1.00 2.99 H new ATOM 0 HH12 ARG B 302 12.082 -8.196 7.623 1.00 2.99 H new ATOM 0 HH21 ARG B 302 11.947 -5.869 10.271 1.00 3.57 H new ATOM 0 HH22 ARG B 302 12.972 -6.656 9.066 1.00 3.57 H new ATOM 1440 N GLU B 303 4.679 -5.546 10.820 1.00 0.69 N ATOM 1441 CA GLU B 303 4.280 -4.205 10.405 1.00 0.66 C ATOM 1442 C GLU B 303 5.472 -3.256 10.454 1.00 0.71 C ATOM 1443 O GLU B 303 6.105 -3.096 11.501 1.00 1.16 O ATOM 1444 CB GLU B 303 3.151 -3.684 11.299 1.00 0.71 C ATOM 1445 CG GLU B 303 1.890 -4.537 11.255 1.00 1.12 C ATOM 1446 CD GLU B 303 1.938 -5.717 12.209 1.00 1.54 C ATOM 1447 OE1 GLU B 303 1.985 -5.487 13.437 1.00 1.99 O ATOM 1448 OE2 GLU B 303 1.928 -6.871 11.728 1.00 2.08 O ATOM 0 H GLU B 303 5.108 -5.587 11.745 1.00 0.69 H new ATOM 0 HA GLU B 303 3.917 -4.255 9.378 1.00 0.66 H new ATOM 0 HB2 GLU B 303 3.508 -3.633 12.327 1.00 0.71 H new ATOM 0 HB3 GLU B 303 2.901 -2.667 10.998 1.00 0.71 H new ATOM 0 HG2 GLU B 303 1.029 -3.915 11.498 1.00 1.12 H new ATOM 0 HG3 GLU B 303 1.741 -4.904 10.239 1.00 1.12 H new ATOM 1455 N THR B 304 5.784 -2.639 9.316 1.00 0.55 N ATOM 1456 CA THR B 304 6.913 -1.714 9.227 1.00 0.55 C ATOM 1457 C THR B 304 6.516 -0.423 8.505 1.00 0.53 C ATOM 1458 O THR B 304 5.679 -0.437 7.599 1.00 0.54 O ATOM 1459 CB THR B 304 8.093 -2.400 8.515 1.00 0.55 C ATOM 1460 OG1 THR B 304 9.110 -2.737 9.441 1.00 0.65 O ATOM 1461 CG2 THR B 304 8.730 -1.565 7.425 1.00 0.56 C ATOM 0 H THR B 304 5.271 -2.762 8.443 1.00 0.55 H new ATOM 0 HA THR B 304 7.219 -1.442 10.237 1.00 0.55 H new ATOM 0 HB THR B 304 7.658 -3.286 8.053 1.00 0.55 H new ATOM 0 HG1 THR B 304 9.850 -3.173 8.970 1.00 0.65 H new ATOM 0 HG21 THR B 304 9.552 -2.121 6.974 1.00 0.56 H new ATOM 0 HG22 THR B 304 7.987 -1.335 6.662 1.00 0.56 H new ATOM 0 HG23 THR B 304 9.110 -0.637 7.853 1.00 0.56 H new ATOM 1469 N GLN B 305 7.131 0.688 8.911 1.00 0.58 N ATOM 1470 CA GLN B 305 6.848 1.985 8.301 1.00 0.60 C ATOM 1471 C GLN B 305 7.602 2.150 6.986 1.00 0.58 C ATOM 1472 O GLN B 305 8.679 1.582 6.797 1.00 0.74 O ATOM 1473 CB GLN B 305 7.212 3.124 9.256 1.00 0.76 C ATOM 1474 CG GLN B 305 6.073 3.530 10.179 1.00 0.89 C ATOM 1475 CD GLN B 305 6.546 4.339 11.372 1.00 1.13 C ATOM 1476 OE1 GLN B 305 6.740 3.802 12.463 1.00 1.67 O ATOM 1477 NE2 GLN B 305 6.734 5.641 11.173 1.00 1.50 N ATOM 0 H GLN B 305 7.826 0.715 9.657 1.00 0.58 H new ATOM 0 HA GLN B 305 5.779 2.026 8.094 1.00 0.60 H new ATOM 0 HB2 GLN B 305 8.068 2.822 9.860 1.00 0.76 H new ATOM 0 HB3 GLN B 305 7.523 3.991 8.673 1.00 0.76 H new ATOM 0 HG2 GLN B 305 5.345 4.113 9.616 1.00 0.89 H new ATOM 0 HG3 GLN B 305 5.560 2.635 10.532 1.00 0.89 H new ATOM 0 HE21 GLN B 305 6.562 6.046 10.253 1.00 1.50 H new ATOM 0 HE22 GLN B 305 7.051 6.234 11.940 1.00 1.50 H new ATOM 1486 N VAL B 306 7.017 2.930 6.080 1.00 0.58 N ATOM 1487 CA VAL B 306 7.612 3.177 4.770 1.00 0.63 C ATOM 1488 C VAL B 306 7.400 4.624 4.323 1.00 0.77 C ATOM 1489 O VAL B 306 8.289 5.163 3.633 1.00 1.47 O ATOM 1490 CB VAL B 306 7.025 2.222 3.709 1.00 0.54 C ATOM 1491 CG1 VAL B 306 7.483 0.794 3.968 1.00 0.51 C ATOM 1492 CG2 VAL B 306 5.504 2.309 3.693 1.00 0.49 C ATOM 1493 OXT VAL B 306 6.347 5.207 4.668 1.00 1.14 O ATOM 0 H VAL B 306 6.127 3.404 6.231 1.00 0.58 H new ATOM 0 HA VAL B 306 8.682 2.994 4.865 1.00 0.63 H new ATOM 0 HB VAL B 306 7.392 2.526 2.729 1.00 0.54 H new ATOM 0 HG11 VAL B 306 7.060 0.133 3.211 1.00 0.51 H new ATOM 0 HG12 VAL B 306 8.571 0.747 3.924 1.00 0.51 H new ATOM 0 HG13 VAL B 306 7.146 0.477 4.955 1.00 0.51 H new ATOM 0 HG21 VAL B 306 5.109 1.629 2.939 1.00 0.49 H new ATOM 0 HG22 VAL B 306 5.113 2.032 4.672 1.00 0.49 H new ATOM 0 HG23 VAL B 306 5.200 3.329 3.457 1.00 0.49 H new TER 1503 VAL B 306