USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= 0.0205 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.144 K(o=-0.12,f=-1.9!) USER MOD Set 2.1: A 7 THR OG1 : rot 160:sc=-0.00909 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0181 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -173:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot -28:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 167:sc= 0 (180deg=-0.39) USER MOD Single : A 1 MET N :NH3+ 157:sc= 2.39 (180deg=1.52!) USER MOD Single : A 2 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.24) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 0.985 (180deg=0.752) USER MOD Single : A 14 THR OG1 : rot -64:sc= 0.677 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 2.02 (180deg=0.435) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.185) USER MOD Single : A 31 GLN : amide:sc= -2.05! C(o=-2.1!,f=-4!) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc=-0.00558 (180deg=-0.0499) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 41 GLN : amide:sc= 0.352 K(o=0.35,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.63) USER MOD Single : A 55 THR OG1 : rot -64:sc= 1.35 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.185 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0509) USER MOD Single : A 65 SER OG : rot 80:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.512 -4.501 -4.536 1.00 0.78 N ATOM 2 CA MET A 1 12.426 -4.900 -3.114 1.00 0.70 C ATOM 3 C MET A 1 11.109 -5.529 -2.817 1.00 0.62 C ATOM 4 O MET A 1 10.035 -5.095 -3.231 1.00 0.68 O ATOM 5 CB MET A 1 12.889 -3.725 -2.235 1.00 0.75 C ATOM 6 CG MET A 1 11.856 -2.640 -1.926 1.00 0.79 C ATOM 7 SD MET A 1 12.531 -1.132 -1.168 1.00 1.10 S ATOM 8 CE MET A 1 10.940 -0.265 -1.290 1.00 0.84 C ATOM 0 H1 MET A 1 13.222 -3.749 -4.643 1.00 0.78 H new ATOM 0 H2 MET A 1 12.788 -5.322 -5.111 1.00 0.78 H new ATOM 0 H3 MET A 1 11.586 -4.151 -4.855 1.00 0.78 H new ATOM 0 HA MET A 1 13.117 -5.704 -2.863 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.248 -4.130 -1.289 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.741 -3.252 -2.723 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.349 -2.368 -2.852 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.101 -3.057 -1.260 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.972 0.641 -0.685 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.749 0.000 -2.330 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.143 -0.915 -0.929 1.00 0.84 H new ATOM 20 N GLN A 2 10.987 -6.599 -2.011 1.00 0.59 N ATOM 21 CA GLN A 2 9.786 -7.299 -1.676 1.00 0.56 C ATOM 22 C GLN A 2 9.046 -6.767 -0.496 1.00 0.50 C ATOM 23 O GLN A 2 9.380 -6.921 0.677 1.00 0.60 O ATOM 24 CB GLN A 2 10.171 -8.768 -1.433 1.00 0.71 C ATOM 25 CG GLN A 2 9.042 -9.729 -1.053 1.00 1.15 C ATOM 26 CD GLN A 2 9.475 -11.179 -0.890 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.912 -12.078 -1.511 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.428 -11.365 0.064 1.00 1.72 N ATOM 0 H GLN A 2 11.802 -7.009 -1.555 1.00 0.59 H new ATOM 0 HA GLN A 2 9.094 -7.172 -2.509 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.648 -9.147 -2.337 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.920 -8.795 -0.641 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.592 -9.390 -0.120 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.266 -9.678 -1.817 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.845 -10.560 0.532 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.725 -12.309 0.311 1.00 1.72 H new ATOM 37 N ILE A 3 7.900 -6.107 -0.739 1.00 0.44 N ATOM 38 CA ILE A 3 7.133 -5.602 0.357 1.00 0.42 C ATOM 39 C ILE A 3 5.856 -6.363 0.455 1.00 0.40 C ATOM 40 O ILE A 3 5.413 -7.121 -0.406 1.00 0.50 O ATOM 41 CB ILE A 3 6.824 -4.135 0.301 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.167 -3.742 -1.033 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.140 -3.362 0.495 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.534 -2.352 -1.094 1.00 0.72 C ATOM 0 H ILE A 3 7.513 -5.926 -1.665 1.00 0.44 H new ATOM 0 HA ILE A 3 7.761 -5.738 1.237 1.00 0.42 H new ATOM 0 HB ILE A 3 6.113 -3.889 1.090 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.920 -3.809 -1.818 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.398 -4.478 -1.265 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.942 -2.291 0.458 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.573 -3.618 1.462 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.839 -3.629 -0.298 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.104 -2.191 -2.083 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.750 -2.276 -0.341 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.296 -1.596 -0.902 1.00 0.72 H new ATOM 56 N PHE A 4 5.150 -6.264 1.597 1.00 0.37 N ATOM 57 CA PHE A 4 3.896 -6.888 1.882 1.00 0.38 C ATOM 58 C PHE A 4 2.832 -5.893 2.193 1.00 0.39 C ATOM 59 O PHE A 4 2.913 -5.060 3.094 1.00 0.60 O ATOM 60 CB PHE A 4 4.061 -7.808 3.105 1.00 0.45 C ATOM 61 CG PHE A 4 5.167 -8.799 2.981 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.075 -9.785 2.027 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.247 -8.750 3.831 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.077 -10.716 1.895 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.124 -9.808 3.843 1.00 1.40 C ATOM 66 CZ PHE A 4 7.066 -10.756 2.849 1.00 0.85 C ATOM 0 H PHE A 4 5.485 -5.703 2.381 1.00 0.37 H new ATOM 0 HA PHE A 4 3.598 -7.447 0.995 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.237 -7.192 3.987 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.126 -8.343 3.271 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.212 -9.828 1.379 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.403 -7.898 4.476 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.087 -11.401 1.060 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.857 -9.895 4.631 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.806 -11.542 2.817 1.00 0.85 H new ATOM 76 N VAL A 5 1.654 -5.859 1.543 1.00 0.35 N ATOM 77 CA VAL A 5 0.477 -5.130 1.898 1.00 0.35 C ATOM 78 C VAL A 5 -0.572 -6.087 2.350 1.00 0.35 C ATOM 79 O VAL A 5 -1.052 -6.901 1.564 1.00 0.46 O ATOM 80 CB VAL A 5 -0.029 -4.253 0.790 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.175 -3.385 1.337 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.034 -3.340 0.157 1.00 0.56 C ATOM 0 H VAL A 5 1.516 -6.395 0.686 1.00 0.35 H new ATOM 0 HA VAL A 5 0.736 -4.453 2.712 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.359 -4.922 -0.005 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.554 -2.741 0.544 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.978 -4.028 1.698 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.806 -2.770 2.158 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.578 -2.744 -0.633 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.446 -2.678 0.919 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.833 -3.950 -0.264 1.00 0.56 H new ATOM 92 N LYS A 6 -0.933 -6.088 3.646 1.00 0.36 N ATOM 93 CA LYS A 6 -1.975 -6.848 4.264 1.00 0.39 C ATOM 94 C LYS A 6 -3.318 -6.335 3.873 1.00 0.46 C ATOM 95 O LYS A 6 -3.642 -5.154 3.764 1.00 0.53 O ATOM 96 CB LYS A 6 -1.883 -6.611 5.780 1.00 0.54 C ATOM 97 CG LYS A 6 -0.597 -7.195 6.367 1.00 1.22 C ATOM 98 CD LYS A 6 -0.578 -8.719 6.491 1.00 1.37 C ATOM 99 CE LYS A 6 0.748 -9.352 6.921 1.00 1.93 C ATOM 100 NZ LYS A 6 0.677 -10.830 6.870 1.00 2.09 N ATOM 0 H LYS A 6 -0.448 -5.500 4.323 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.861 -7.891 3.969 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.923 -5.541 5.984 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.745 -7.062 6.272 1.00 0.54 H new ATOM 0 HG2 LYS A 6 0.242 -6.886 5.744 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.437 -6.763 7.355 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.345 -9.013 7.208 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.862 -9.143 5.528 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.549 -9.001 6.271 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.996 -9.032 7.933 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.545 -11.234 7.278 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.146 -11.157 7.415 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.583 -11.139 5.881 1.00 2.09 H new ATOM 114 N THR A 7 -4.327 -7.188 3.620 1.00 0.58 N ATOM 115 CA THR A 7 -5.710 -6.873 3.434 1.00 0.78 C ATOM 116 C THR A 7 -6.428 -6.856 4.739 1.00 0.94 C ATOM 117 O THR A 7 -5.878 -7.128 5.805 1.00 0.99 O ATOM 118 CB THR A 7 -6.387 -7.740 2.415 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.492 -9.080 2.875 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.542 -7.813 1.131 1.00 0.92 C ATOM 0 H THR A 7 -4.157 -8.190 3.539 1.00 0.58 H new ATOM 0 HA THR A 7 -5.752 -5.867 3.017 1.00 0.78 H new ATOM 0 HB THR A 7 -7.369 -7.303 2.236 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.193 -9.545 2.372 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.045 -8.446 0.400 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.418 -6.811 0.720 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.564 -8.234 1.363 1.00 0.92 H new ATOM 128 N LEU A 8 -7.732 -6.526 4.712 1.00 1.17 N ATOM 129 CA LEU A 8 -8.548 -6.476 5.885 1.00 1.39 C ATOM 130 C LEU A 8 -8.949 -7.866 6.239 1.00 1.44 C ATOM 131 O LEU A 8 -8.856 -8.228 7.411 1.00 1.60 O ATOM 132 CB LEU A 8 -9.787 -5.613 5.593 1.00 1.66 C ATOM 133 CG LEU A 8 -10.443 -5.034 6.857 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.636 -3.941 7.576 1.00 2.53 C ATOM 135 CD2 LEU A 8 -11.943 -4.782 6.628 1.00 2.43 C ATOM 0 H LEU A 8 -8.231 -6.288 3.855 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.003 -6.036 6.720 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.502 -4.793 4.933 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.520 -6.214 5.056 1.00 1.66 H new ATOM 0 HG LEU A 8 -10.407 -5.800 7.631 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.186 -3.600 8.453 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -8.672 -4.345 7.886 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.477 -3.102 6.899 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.386 -4.372 7.536 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -12.072 -4.074 5.810 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.435 -5.721 6.376 1.00 2.43 H new ATOM 147 N THR A 9 -9.490 -8.594 5.246 1.00 1.41 N ATOM 148 CA THR A 9 -10.050 -9.904 5.375 1.00 1.51 C ATOM 149 C THR A 9 -9.111 -11.002 5.736 1.00 1.37 C ATOM 150 O THR A 9 -9.311 -11.657 6.758 1.00 1.62 O ATOM 151 CB THR A 9 -10.794 -10.342 4.147 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.054 -10.048 2.972 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.042 -9.451 4.039 1.00 2.08 C ATOM 0 H THR A 9 -9.539 -8.243 4.289 1.00 1.41 H new ATOM 0 HA THR A 9 -10.720 -9.760 6.223 1.00 1.51 H new ATOM 0 HB THR A 9 -10.997 -11.410 4.226 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.558 -10.344 2.185 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.616 -9.734 3.157 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.658 -9.578 4.929 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.738 -8.408 3.954 1.00 2.08 H new ATOM 161 N GLY A 10 -8.040 -11.287 4.975 1.00 1.18 N ATOM 162 CA GLY A 10 -7.213 -12.365 5.424 1.00 1.22 C ATOM 163 C GLY A 10 -6.163 -12.674 4.414 1.00 0.99 C ATOM 164 O GLY A 10 -5.943 -13.872 4.241 1.00 1.31 O ATOM 0 H GLY A 10 -7.759 -10.815 4.115 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.746 -12.102 6.373 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.824 -13.249 5.604 1.00 1.22 H new ATOM 168 N LYS A 11 -5.491 -11.743 3.713 1.00 0.73 N ATOM 169 CA LYS A 11 -4.542 -11.937 2.662 1.00 0.60 C ATOM 170 C LYS A 11 -3.366 -11.042 2.847 1.00 0.51 C ATOM 171 O LYS A 11 -3.498 -10.045 3.556 1.00 0.63 O ATOM 172 CB LYS A 11 -5.253 -11.720 1.315 1.00 0.75 C ATOM 173 CG LYS A 11 -4.470 -11.937 0.018 1.00 0.87 C ATOM 174 CD LYS A 11 -5.282 -11.469 -1.193 1.00 1.04 C ATOM 175 CE LYS A 11 -4.375 -11.601 -2.417 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.241 -11.747 -3.607 1.00 1.40 N ATOM 0 H LYS A 11 -5.630 -10.751 3.906 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.152 -12.955 2.681 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.120 -12.381 1.290 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.631 -10.698 1.304 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.527 -11.392 0.062 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.223 -12.993 -0.090 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.181 -12.074 -1.312 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.607 -10.437 -1.064 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.736 -10.724 -2.515 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.718 -12.465 -2.314 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.651 -11.788 -4.463 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.796 -12.623 -3.527 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.885 -10.933 -3.669 1.00 1.40 H new ATOM 190 N THR A 12 -2.172 -11.335 2.301 1.00 0.49 N ATOM 191 CA THR A 12 -0.943 -10.606 2.318 1.00 0.48 C ATOM 192 C THR A 12 -0.487 -10.463 0.907 1.00 0.52 C ATOM 193 O THR A 12 -0.164 -11.517 0.363 1.00 0.72 O ATOM 194 CB THR A 12 0.150 -11.278 3.093 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.217 -11.724 4.391 1.00 0.77 O ATOM 196 CG2 THR A 12 1.252 -10.237 3.353 1.00 0.78 C ATOM 0 H THR A 12 -2.060 -12.203 1.777 1.00 0.49 H new ATOM 0 HA THR A 12 -1.137 -9.651 2.807 1.00 0.48 H new ATOM 0 HB THR A 12 0.438 -12.140 2.492 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.938 -11.159 4.740 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.063 -10.698 3.917 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.636 -9.868 2.402 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.840 -9.406 3.925 1.00 0.78 H new ATOM 204 N ILE A 13 -0.455 -9.293 0.243 1.00 0.48 N ATOM 205 CA ILE A 13 -0.075 -9.059 -1.116 1.00 0.55 C ATOM 206 C ILE A 13 1.399 -8.841 -1.061 1.00 0.51 C ATOM 207 O ILE A 13 1.840 -7.918 -0.379 1.00 0.56 O ATOM 208 CB ILE A 13 -0.902 -8.003 -1.786 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.370 -7.939 -1.332 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.740 -8.258 -3.294 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.079 -6.714 -1.905 1.00 1.55 C ATOM 0 H ILE A 13 -0.723 -8.425 0.707 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.285 -9.900 -1.777 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.546 -7.013 -1.501 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.890 -8.843 -1.649 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.415 -7.911 -0.243 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.319 -7.522 -3.852 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.312 -8.174 -3.566 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.099 -9.259 -3.534 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.114 -6.700 -1.564 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.573 -5.810 -1.567 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.056 -6.757 -2.994 1.00 1.55 H new ATOM 223 N THR A 14 2.162 -9.709 -1.749 1.00 0.55 N ATOM 224 CA THR A 14 3.586 -9.594 -1.812 1.00 0.54 C ATOM 225 C THR A 14 3.918 -8.928 -3.102 1.00 0.55 C ATOM 226 O THR A 14 3.573 -9.447 -4.163 1.00 0.72 O ATOM 227 CB THR A 14 4.257 -10.935 -1.813 1.00 0.67 C ATOM 228 OG1 THR A 14 4.076 -11.612 -0.578 1.00 1.08 O ATOM 229 CG2 THR A 14 5.789 -10.806 -1.881 1.00 1.03 C ATOM 0 H THR A 14 1.785 -10.502 -2.269 1.00 0.55 H new ATOM 0 HA THR A 14 3.930 -9.036 -0.941 1.00 0.54 H new ATOM 0 HB THR A 14 3.822 -11.453 -2.667 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.511 -11.106 0.139 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.238 -11.799 -1.880 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.070 -10.282 -2.795 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.146 -10.245 -1.017 1.00 1.03 H new ATOM 237 N LEU A 15 4.620 -7.783 -3.049 1.00 0.50 N ATOM 238 CA LEU A 15 4.925 -7.028 -4.225 1.00 0.55 C ATOM 239 C LEU A 15 6.383 -6.784 -4.414 1.00 0.52 C ATOM 240 O LEU A 15 7.162 -6.882 -3.467 1.00 0.58 O ATOM 241 CB LEU A 15 4.291 -5.628 -4.156 1.00 0.69 C ATOM 242 CG LEU A 15 2.798 -5.494 -3.811 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.423 -4.016 -4.014 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.059 -6.427 -4.785 1.00 1.55 C ATOM 0 H LEU A 15 4.979 -7.377 -2.185 1.00 0.50 H new ATOM 0 HA LEU A 15 4.534 -7.632 -5.044 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.850 -5.051 -3.420 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.448 -5.149 -5.123 1.00 0.69 H new ATOM 0 HG LEU A 15 2.543 -5.770 -2.788 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.368 -3.873 -3.780 1.00 1.38 H new ATOM 0 HD12 LEU A 15 3.029 -3.393 -3.356 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.606 -3.733 -5.051 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.987 -6.379 -4.592 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.258 -6.114 -5.810 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.407 -7.450 -4.644 1.00 1.55 H new ATOM 256 N GLU A 16 6.823 -6.579 -5.668 1.00 0.59 N ATOM 257 CA GLU A 16 8.160 -6.157 -5.951 1.00 0.63 C ATOM 258 C GLU A 16 8.013 -4.755 -6.434 1.00 0.65 C ATOM 259 O GLU A 16 7.476 -4.463 -7.503 1.00 0.81 O ATOM 260 CB GLU A 16 8.811 -7.077 -6.997 1.00 0.76 C ATOM 261 CG GLU A 16 10.229 -6.687 -7.420 1.00 1.41 C ATOM 262 CD GLU A 16 11.239 -6.898 -6.299 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.060 -7.689 -5.334 1.00 1.92 O ATOM 264 OE2 GLU A 16 12.375 -6.376 -6.458 1.00 1.95 O ATOM 0 H GLU A 16 6.243 -6.708 -6.497 1.00 0.59 H new ATOM 0 HA GLU A 16 8.817 -6.208 -5.083 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.834 -8.092 -6.600 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.178 -7.096 -7.884 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.523 -7.277 -8.288 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.241 -5.641 -7.726 1.00 1.41 H new ATOM 271 N VAL A 17 8.502 -3.802 -5.620 1.00 0.61 N ATOM 272 CA VAL A 17 8.493 -2.389 -5.833 1.00 0.63 C ATOM 273 C VAL A 17 9.915 -1.940 -5.833 1.00 0.65 C ATOM 274 O VAL A 17 10.728 -2.699 -5.307 1.00 0.76 O ATOM 275 CB VAL A 17 7.762 -1.762 -4.683 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.312 -2.271 -4.765 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.375 -2.034 -3.300 1.00 0.92 C ATOM 0 H VAL A 17 8.943 -4.046 -4.733 1.00 0.61 H new ATOM 0 HA VAL A 17 8.009 -2.113 -6.770 1.00 0.63 H new ATOM 0 HB VAL A 17 7.828 -0.678 -4.776 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.730 -1.845 -3.948 1.00 0.96 H new ATOM 0 HG12 VAL A 17 5.874 -1.971 -5.717 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.303 -3.358 -4.688 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.777 -1.540 -2.534 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.389 -3.108 -3.113 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.394 -1.647 -3.271 1.00 0.92 H new ATOM 287 N GLU A 18 10.157 -0.674 -6.216 1.00 0.68 N ATOM 288 CA GLU A 18 11.420 -0.037 -6.007 1.00 0.74 C ATOM 289 C GLU A 18 11.132 1.117 -5.109 1.00 0.71 C ATOM 290 O GLU A 18 10.014 1.634 -5.115 1.00 0.74 O ATOM 291 CB GLU A 18 11.945 0.518 -7.342 1.00 0.88 C ATOM 292 CG GLU A 18 12.514 -0.661 -8.133 1.00 1.16 C ATOM 293 CD GLU A 18 13.312 -0.218 -9.352 1.00 1.71 C ATOM 294 OE1 GLU A 18 12.733 0.354 -10.314 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.567 -0.277 -9.262 1.00 2.35 O ATOM 0 H GLU A 18 9.466 -0.083 -6.678 1.00 0.68 H new ATOM 0 HA GLU A 18 12.156 -0.727 -5.595 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.143 1.003 -7.899 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.714 1.271 -7.169 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.154 -1.256 -7.481 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.697 -1.307 -8.454 1.00 1.16 H new ATOM 302 N PRO A 19 12.074 1.623 -4.372 1.00 0.74 N ATOM 303 CA PRO A 19 11.822 2.703 -3.462 1.00 0.74 C ATOM 304 C PRO A 19 11.498 4.023 -4.074 1.00 0.70 C ATOM 305 O PRO A 19 10.946 4.898 -3.409 1.00 0.74 O ATOM 306 CB PRO A 19 13.083 2.811 -2.610 1.00 0.86 C ATOM 307 CG PRO A 19 14.210 2.089 -3.367 1.00 0.95 C ATOM 308 CD PRO A 19 13.428 1.105 -4.249 1.00 0.82 C ATOM 0 HA PRO A 19 10.917 2.468 -2.901 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.343 3.856 -2.439 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.926 2.357 -1.631 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.810 2.779 -3.960 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.892 1.575 -2.689 1.00 0.95 H new ATOM 0 HD2 PRO A 19 13.895 1.012 -5.229 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.421 0.110 -3.803 1.00 0.82 H new ATOM 316 N SER A 20 11.788 4.195 -5.376 1.00 0.70 N ATOM 317 CA SER A 20 11.553 5.376 -6.150 1.00 0.74 C ATOM 318 C SER A 20 10.162 5.391 -6.681 1.00 0.71 C ATOM 319 O SER A 20 9.759 6.478 -7.092 1.00 0.80 O ATOM 320 CB SER A 20 12.539 5.454 -7.328 1.00 0.89 C ATOM 321 OG SER A 20 13.896 5.425 -6.906 1.00 1.45 O ATOM 0 H SER A 20 12.219 3.453 -5.928 1.00 0.70 H new ATOM 0 HA SER A 20 11.698 6.236 -5.496 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.355 4.621 -8.007 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.356 6.370 -7.890 1.00 0.89 H new ATOM 0 HG SER A 20 14.483 5.475 -7.689 1.00 1.45 H new ATOM 327 N ASP A 21 9.399 4.286 -6.608 1.00 0.70 N ATOM 328 CA ASP A 21 8.013 4.190 -6.952 1.00 0.73 C ATOM 329 C ASP A 21 7.197 4.949 -5.964 1.00 0.64 C ATOM 330 O ASP A 21 7.380 4.800 -4.756 1.00 0.66 O ATOM 331 CB ASP A 21 7.631 2.700 -6.963 1.00 0.87 C ATOM 332 CG ASP A 21 8.277 1.955 -8.121 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.174 2.503 -9.251 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.648 0.758 -7.983 1.00 1.50 O ATOM 0 H ASP A 21 9.778 3.396 -6.285 1.00 0.70 H new ATOM 0 HA ASP A 21 7.824 4.620 -7.936 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.935 2.241 -6.022 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.547 2.604 -7.030 1.00 0.87 H new ATOM 339 N THR A 22 6.165 5.673 -6.434 1.00 0.63 N ATOM 340 CA THR A 22 5.193 6.420 -5.699 1.00 0.58 C ATOM 341 C THR A 22 4.265 5.493 -4.992 1.00 0.53 C ATOM 342 O THR A 22 4.031 4.356 -5.400 1.00 0.58 O ATOM 343 CB THR A 22 4.432 7.557 -6.316 1.00 0.63 C ATOM 344 OG1 THR A 22 3.877 7.019 -7.506 1.00 0.70 O ATOM 345 CG2 THR A 22 5.345 8.733 -6.702 1.00 0.75 C ATOM 0 H THR A 22 5.997 5.740 -7.438 1.00 0.63 H new ATOM 0 HA THR A 22 5.851 6.986 -5.040 1.00 0.58 H new ATOM 0 HB THR A 22 3.695 7.943 -5.612 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.359 7.711 -7.967 1.00 0.70 H new ATOM 0 HG21 THR A 22 4.746 9.529 -7.144 1.00 0.75 H new ATOM 0 HG22 THR A 22 5.849 9.110 -5.812 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.088 8.395 -7.424 1.00 0.75 H new ATOM 353 N ILE A 23 3.703 5.910 -3.843 1.00 0.51 N ATOM 354 CA ILE A 23 2.776 5.148 -3.064 1.00 0.48 C ATOM 355 C ILE A 23 1.602 4.946 -3.957 1.00 0.48 C ATOM 356 O ILE A 23 0.941 3.909 -3.933 1.00 0.51 O ATOM 357 CB ILE A 23 2.579 5.797 -1.725 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.796 5.385 -0.880 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.323 5.241 -1.036 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.810 6.040 0.501 1.00 0.73 C ATOM 0 H ILE A 23 3.905 6.824 -3.437 1.00 0.51 H new ATOM 0 HA ILE A 23 3.102 4.153 -2.761 1.00 0.48 H new ATOM 0 HB ILE A 23 2.472 6.876 -1.832 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.801 4.301 -0.763 1.00 0.60 H new ATOM 0 HG13 ILE A 23 4.709 5.652 -1.412 1.00 0.60 H new ATOM 0 HG21 ILE A 23 1.196 5.723 -0.067 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.449 5.439 -1.657 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.431 4.166 -0.895 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.692 5.711 1.051 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.835 7.124 0.389 1.00 0.73 H new ATOM 0 HD13 ILE A 23 2.913 5.753 1.049 1.00 0.73 H new ATOM 372 N GLU A 24 1.204 5.885 -4.833 1.00 0.50 N ATOM 373 CA GLU A 24 0.288 5.679 -5.912 1.00 0.53 C ATOM 374 C GLU A 24 0.555 4.570 -6.871 1.00 0.50 C ATOM 375 O GLU A 24 -0.331 3.792 -7.220 1.00 0.55 O ATOM 376 CB GLU A 24 -0.099 6.987 -6.622 1.00 0.64 C ATOM 377 CG GLU A 24 -1.306 6.829 -7.549 1.00 0.95 C ATOM 378 CD GLU A 24 -1.983 8.067 -8.119 1.00 1.05 C ATOM 379 OE1 GLU A 24 -2.342 9.050 -7.416 1.00 1.56 O ATOM 380 OE2 GLU A 24 -2.220 8.074 -9.357 1.00 1.62 O ATOM 0 H GLU A 24 1.542 6.846 -4.785 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.580 5.296 -5.376 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.319 7.749 -5.874 1.00 0.64 H new ATOM 0 HB3 GLU A 24 0.752 7.346 -7.201 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.992 6.212 -8.391 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -2.063 6.264 -7.005 1.00 0.95 H new ATOM 387 N ASN A 25 1.815 4.471 -7.330 1.00 0.51 N ATOM 388 CA ASN A 25 2.318 3.413 -8.150 1.00 0.52 C ATOM 389 C ASN A 25 2.261 2.070 -7.507 1.00 0.47 C ATOM 390 O ASN A 25 2.006 1.066 -8.169 1.00 0.53 O ATOM 391 CB ASN A 25 3.644 3.692 -8.877 1.00 0.64 C ATOM 392 CG ASN A 25 3.446 4.848 -9.848 1.00 1.23 C ATOM 393 OD1 ASN A 25 2.337 5.154 -10.284 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.528 5.603 -10.179 1.00 1.57 N ATOM 0 H ASN A 25 2.525 5.172 -7.116 1.00 0.51 H new ATOM 0 HA ASN A 25 1.595 3.382 -8.965 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.424 3.936 -8.156 1.00 0.64 H new ATOM 0 HB3 ASN A 25 3.973 2.802 -9.414 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.416 6.416 -10.785 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.451 5.356 -9.822 1.00 1.57 H new ATOM 401 N VAL A 26 2.479 1.974 -6.183 1.00 0.45 N ATOM 402 CA VAL A 26 2.336 0.730 -5.493 1.00 0.44 C ATOM 403 C VAL A 26 0.915 0.289 -5.426 1.00 0.40 C ATOM 404 O VAL A 26 0.570 -0.892 -5.428 1.00 0.44 O ATOM 405 CB VAL A 26 2.903 0.781 -4.105 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.725 -0.476 -3.235 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.378 1.143 -4.348 1.00 0.62 C ATOM 0 H VAL A 26 2.754 2.758 -5.591 1.00 0.45 H new ATOM 0 HA VAL A 26 2.904 0.004 -6.075 1.00 0.44 H new ATOM 0 HB VAL A 26 2.357 1.503 -3.498 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.178 -0.309 -2.258 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.662 -0.685 -3.111 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.208 -1.325 -3.719 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.899 1.209 -3.393 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.845 0.374 -4.963 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.437 2.103 -4.860 1.00 0.62 H new ATOM 417 N LYS A 27 -0.020 1.244 -5.273 1.00 0.40 N ATOM 418 CA LYS A 27 -1.424 1.107 -5.502 1.00 0.41 C ATOM 419 C LYS A 27 -1.806 0.705 -6.884 1.00 0.38 C ATOM 420 O LYS A 27 -2.802 0.009 -7.082 1.00 0.42 O ATOM 421 CB LYS A 27 -2.177 2.336 -4.965 1.00 0.51 C ATOM 422 CG LYS A 27 -1.911 2.525 -3.470 1.00 0.76 C ATOM 423 CD LYS A 27 -2.666 3.653 -2.765 1.00 0.82 C ATOM 424 CE LYS A 27 -2.792 4.884 -3.666 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.843 5.769 -3.119 1.00 1.11 N ATOM 0 H LYS A 27 0.227 2.184 -4.965 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.751 0.243 -4.923 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.864 3.227 -5.510 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.247 2.216 -5.136 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.150 1.590 -2.963 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.843 2.697 -3.336 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.659 3.306 -2.479 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.146 3.924 -1.846 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.841 5.414 -3.716 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -3.043 4.583 -4.683 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.225 6.366 -3.880 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.608 5.191 -2.715 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.436 6.373 -2.376 1.00 1.11 H new ATOM 439 N ALA A 28 -1.111 1.017 -7.992 1.00 0.39 N ATOM 440 CA ALA A 28 -1.382 0.515 -9.303 1.00 0.39 C ATOM 441 C ALA A 28 -0.956 -0.905 -9.445 1.00 0.36 C ATOM 442 O ALA A 28 -1.610 -1.735 -10.075 1.00 0.42 O ATOM 443 CB ALA A 28 -0.768 1.460 -10.351 1.00 0.51 C ATOM 0 H ALA A 28 -0.316 1.655 -7.971 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.458 0.501 -9.476 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.974 1.078 -11.351 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.204 2.453 -10.245 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.310 1.519 -10.200 1.00 0.51 H new ATOM 449 N LYS A 29 0.185 -1.310 -8.859 1.00 0.39 N ATOM 450 CA LYS A 29 0.491 -2.700 -8.727 1.00 0.43 C ATOM 451 C LYS A 29 -0.512 -3.525 -7.994 1.00 0.44 C ATOM 452 O LYS A 29 -0.835 -4.595 -8.508 1.00 0.54 O ATOM 453 CB LYS A 29 1.956 -2.878 -8.295 1.00 0.54 C ATOM 454 CG LYS A 29 2.613 -4.165 -8.798 1.00 0.65 C ATOM 455 CD LYS A 29 4.140 -4.164 -8.692 1.00 1.08 C ATOM 456 CE LYS A 29 4.879 -3.090 -9.493 1.00 1.24 C ATOM 457 NZ LYS A 29 4.656 -3.451 -10.910 1.00 1.44 N ATOM 0 H LYS A 29 0.891 -0.680 -8.479 1.00 0.39 H new ATOM 0 HA LYS A 29 0.395 -3.142 -9.719 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.534 -2.026 -8.653 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.005 -2.861 -7.206 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.220 -5.008 -8.230 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.331 -4.323 -9.839 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.409 -4.052 -7.642 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.505 -5.140 -9.012 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.491 -2.096 -9.273 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.942 -3.078 -9.251 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 5.290 -2.891 -11.515 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.853 -4.463 -11.045 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 3.668 -3.253 -11.167 1.00 1.44 H new ATOM 471 N ILE A 30 -1.183 -3.133 -6.897 1.00 0.41 N ATOM 472 CA ILE A 30 -2.324 -3.772 -6.319 1.00 0.44 C ATOM 473 C ILE A 30 -3.485 -3.919 -7.241 1.00 0.45 C ATOM 474 O ILE A 30 -4.164 -4.942 -7.326 1.00 0.56 O ATOM 475 CB ILE A 30 -2.733 -3.159 -5.012 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.604 -3.228 -3.970 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.982 -3.827 -4.414 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.719 -2.328 -2.741 1.00 1.32 C ATOM 0 H ILE A 30 -0.904 -2.303 -6.374 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.983 -4.787 -6.115 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.961 -2.118 -5.241 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.528 -4.259 -3.625 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.667 -2.990 -4.474 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.235 -3.346 -3.469 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.816 -3.725 -5.108 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.781 -4.884 -4.240 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.855 -2.482 -2.095 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.755 -1.285 -3.056 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.629 -2.574 -2.194 1.00 1.32 H new ATOM 490 N GLN A 31 -3.738 -2.877 -8.053 1.00 0.41 N ATOM 491 CA GLN A 31 -4.782 -2.895 -9.030 1.00 0.48 C ATOM 492 C GLN A 31 -4.497 -3.882 -10.109 1.00 0.52 C ATOM 493 O GLN A 31 -5.400 -4.640 -10.462 1.00 0.66 O ATOM 494 CB GLN A 31 -4.943 -1.544 -9.747 1.00 0.52 C ATOM 495 CG GLN A 31 -5.903 -1.558 -10.937 1.00 0.70 C ATOM 496 CD GLN A 31 -6.149 -0.109 -11.333 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.218 0.463 -11.121 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.204 0.509 -12.091 1.00 1.43 N ATOM 0 H GLN A 31 -3.208 -2.006 -8.031 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.683 -3.147 -8.471 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.292 -0.805 -9.025 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.964 -1.213 -10.093 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.476 -2.117 -11.769 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.839 -2.048 -10.670 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.314 0.046 -12.274 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.385 1.436 -12.476 1.00 1.43 H new ATOM 507 N ASP A 32 -3.218 -3.949 -10.521 1.00 0.50 N ATOM 508 CA ASP A 32 -2.751 -4.950 -11.429 1.00 0.60 C ATOM 509 C ASP A 32 -3.041 -6.366 -11.067 1.00 0.65 C ATOM 510 O ASP A 32 -3.593 -7.159 -11.829 1.00 0.81 O ATOM 511 CB ASP A 32 -1.234 -4.785 -11.620 1.00 0.67 C ATOM 512 CG ASP A 32 -0.673 -5.734 -12.670 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.099 -5.555 -13.842 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.218 -6.589 -12.423 1.00 1.51 O ATOM 0 H ASP A 32 -2.495 -3.296 -10.218 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.316 -4.776 -12.345 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.017 -3.757 -11.911 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.730 -4.961 -10.670 1.00 0.67 H new ATOM 519 N LYS A 33 -2.837 -6.684 -9.776 1.00 0.62 N ATOM 520 CA LYS A 33 -2.976 -8.009 -9.257 1.00 0.73 C ATOM 521 C LYS A 33 -4.368 -8.335 -8.840 1.00 0.69 C ATOM 522 O LYS A 33 -4.849 -9.439 -9.089 1.00 0.83 O ATOM 523 CB LYS A 33 -2.066 -8.358 -8.067 1.00 0.85 C ATOM 524 CG LYS A 33 -0.599 -8.245 -8.486 1.00 1.31 C ATOM 525 CD LYS A 33 0.364 -8.824 -7.448 1.00 1.71 C ATOM 526 CE LYS A 33 1.829 -8.648 -7.853 1.00 2.26 C ATOM 527 NZ LYS A 33 2.163 -9.101 -9.222 1.00 2.62 N ATOM 0 H LYS A 33 -2.567 -5.998 -9.071 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.670 -8.607 -10.116 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.268 -7.686 -7.233 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.278 -9.369 -7.720 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.457 -8.763 -9.435 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.355 -7.196 -8.655 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.194 -8.338 -6.487 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.152 -9.884 -7.311 1.00 1.71 H new ATOM 0 HE2 LYS A 33 2.090 -7.594 -7.763 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.453 -9.193 -7.145 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.184 -8.989 -9.385 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.903 -10.102 -9.329 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.637 -8.531 -9.914 1.00 2.62 H new ATOM 541 N GLU A 34 -4.988 -7.416 -8.078 1.00 0.63 N ATOM 542 CA GLU A 34 -6.207 -7.639 -7.364 1.00 0.67 C ATOM 543 C GLU A 34 -7.307 -7.046 -8.174 1.00 0.69 C ATOM 544 O GLU A 34 -8.259 -7.778 -8.442 1.00 0.95 O ATOM 545 CB GLU A 34 -6.084 -6.928 -6.005 1.00 0.73 C ATOM 546 CG GLU A 34 -4.960 -7.374 -5.068 1.00 0.83 C ATOM 547 CD GLU A 34 -5.156 -8.862 -4.814 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.119 -9.205 -4.079 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.351 -9.653 -5.374 1.00 1.48 O ATOM 0 H GLU A 34 -4.621 -6.472 -7.954 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.409 -8.697 -7.197 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.959 -5.862 -6.194 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.029 -7.049 -5.476 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.985 -7.185 -5.518 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.993 -6.815 -4.133 1.00 0.83 H new ATOM 556 N GLY A 35 -7.268 -5.753 -8.544 1.00 0.63 N ATOM 557 CA GLY A 35 -8.370 -5.184 -9.257 1.00 0.68 C ATOM 558 C GLY A 35 -9.203 -4.290 -8.405 1.00 0.76 C ATOM 559 O GLY A 35 -10.429 -4.320 -8.497 1.00 1.12 O ATOM 0 H GLY A 35 -6.495 -5.115 -8.356 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.994 -4.620 -10.110 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.993 -5.985 -9.655 1.00 0.68 H new ATOM 563 N ILE A 36 -8.536 -3.327 -7.743 1.00 0.70 N ATOM 564 CA ILE A 36 -9.230 -2.378 -6.930 1.00 0.76 C ATOM 565 C ILE A 36 -8.648 -1.094 -7.414 1.00 0.71 C ATOM 566 O ILE A 36 -7.425 -1.054 -7.538 1.00 0.73 O ATOM 567 CB ILE A 36 -8.928 -2.466 -5.463 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.260 -3.886 -4.975 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.608 -1.413 -4.573 1.00 1.55 C ATOM 570 CD1 ILE A 36 -9.312 -4.133 -3.468 1.00 1.16 C ATOM 0 H ILE A 36 -7.524 -3.206 -7.770 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.308 -2.517 -7.014 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.866 -2.244 -5.362 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.227 -4.165 -5.393 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.522 -4.566 -5.400 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.318 -1.573 -3.534 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.298 -0.416 -4.887 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.690 -1.502 -4.666 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.557 -5.178 -3.279 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -8.342 -3.902 -3.028 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -10.074 -3.495 -3.021 1.00 1.16 H new ATOM 582 N PRO A 37 -9.327 -0.073 -7.844 1.00 0.75 N ATOM 583 CA PRO A 37 -8.744 1.135 -8.349 1.00 0.79 C ATOM 584 C PRO A 37 -7.906 1.813 -7.320 1.00 0.75 C ATOM 585 O PRO A 37 -8.389 1.678 -6.197 1.00 0.75 O ATOM 586 CB PRO A 37 -9.950 2.050 -8.547 1.00 0.95 C ATOM 587 CG PRO A 37 -11.021 1.100 -9.106 1.00 1.02 C ATOM 588 CD PRO A 37 -10.698 -0.181 -8.320 1.00 0.85 C ATOM 0 HA PRO A 37 -8.133 0.931 -9.228 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.267 2.508 -7.610 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.730 2.862 -9.240 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.033 1.459 -8.916 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.929 0.960 -10.183 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.386 -0.300 -7.483 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.815 -1.059 -8.955 1.00 0.85 H new ATOM 596 N PRO A 38 -6.771 2.404 -7.555 1.00 0.81 N ATOM 597 CA PRO A 38 -6.045 3.126 -6.551 1.00 0.85 C ATOM 598 C PRO A 38 -6.754 4.218 -5.827 1.00 0.89 C ATOM 599 O PRO A 38 -6.375 4.548 -4.705 1.00 0.99 O ATOM 600 CB PRO A 38 -4.914 3.756 -7.361 1.00 1.01 C ATOM 601 CG PRO A 38 -4.533 2.724 -8.435 1.00 1.25 C ATOM 602 CD PRO A 38 -5.957 2.243 -8.751 1.00 0.98 C ATOM 0 HA PRO A 38 -5.785 2.435 -5.749 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.236 4.692 -7.817 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.061 3.988 -6.724 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.029 3.166 -9.295 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.886 1.932 -8.058 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.377 2.818 -9.576 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.944 1.199 -9.064 1.00 0.98 H new ATOM 610 N ASP A 39 -7.809 4.812 -6.415 1.00 0.96 N ATOM 611 CA ASP A 39 -8.631 5.777 -5.754 1.00 1.11 C ATOM 612 C ASP A 39 -9.465 5.220 -4.650 1.00 1.00 C ATOM 613 O ASP A 39 -9.751 5.894 -3.663 1.00 1.14 O ATOM 614 CB ASP A 39 -9.648 6.285 -6.788 1.00 1.39 C ATOM 615 CG ASP A 39 -8.995 7.320 -7.692 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.508 8.366 -7.187 1.00 2.23 O ATOM 617 OD2 ASP A 39 -8.963 7.106 -8.933 1.00 2.25 O ATOM 0 H ASP A 39 -8.097 4.616 -7.374 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.956 6.527 -5.341 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.020 5.452 -7.384 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.507 6.723 -6.281 1.00 1.39 H new ATOM 622 N GLN A 40 -9.712 3.901 -4.734 1.00 0.87 N ATOM 623 CA GLN A 40 -10.440 3.246 -3.692 1.00 0.84 C ATOM 624 C GLN A 40 -9.514 2.930 -2.568 1.00 0.67 C ATOM 625 O GLN A 40 -9.908 2.599 -1.452 1.00 0.80 O ATOM 626 CB GLN A 40 -11.295 2.101 -4.261 1.00 0.95 C ATOM 627 CG GLN A 40 -12.298 2.403 -5.377 1.00 1.32 C ATOM 628 CD GLN A 40 -13.326 1.333 -5.713 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.570 0.375 -4.981 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.988 1.555 -6.880 1.00 2.02 N ATOM 0 H GLN A 40 -9.416 3.300 -5.503 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.190 3.897 -3.242 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.614 1.335 -4.631 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.849 1.662 -3.432 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.836 3.312 -5.107 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.735 2.623 -6.284 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.751 2.364 -7.455 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.721 0.913 -7.180 1.00 2.02 H new ATOM 639 N GLN A 41 -8.193 2.872 -2.817 1.00 0.56 N ATOM 640 CA GLN A 41 -7.258 2.449 -1.822 1.00 0.51 C ATOM 641 C GLN A 41 -6.540 3.494 -1.039 1.00 0.49 C ATOM 642 O GLN A 41 -5.966 4.447 -1.564 1.00 0.65 O ATOM 643 CB GLN A 41 -6.091 1.707 -2.496 1.00 0.67 C ATOM 644 CG GLN A 41 -6.544 0.581 -3.427 1.00 0.69 C ATOM 645 CD GLN A 41 -5.281 0.106 -4.132 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.179 0.180 -3.590 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.354 -0.409 -5.388 1.00 0.61 N ATOM 0 H GLN A 41 -7.772 3.120 -3.712 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.904 1.882 -1.152 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.496 2.421 -3.065 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.441 1.292 -1.726 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.009 -0.229 -2.866 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.284 0.938 -4.144 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.256 -0.481 -5.858 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.506 -0.724 -5.860 1.00 0.61 H new ATOM 656 N ARG A 42 -6.481 3.196 0.271 1.00 0.47 N ATOM 657 CA ARG A 42 -5.712 4.014 1.157 1.00 0.55 C ATOM 658 C ARG A 42 -4.694 3.214 1.895 1.00 0.46 C ATOM 659 O ARG A 42 -5.024 2.372 2.728 1.00 0.52 O ATOM 660 CB ARG A 42 -6.647 4.744 2.135 1.00 0.73 C ATOM 661 CG ARG A 42 -6.013 5.817 3.023 1.00 1.04 C ATOM 662 CD ARG A 42 -7.129 6.576 3.743 1.00 1.28 C ATOM 663 NE ARG A 42 -7.729 7.509 2.747 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.592 8.522 3.049 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.370 8.462 4.168 1.00 2.34 N ATOM 666 NH2 ARG A 42 -8.790 9.618 2.259 1.00 2.78 N ATOM 0 H ARG A 42 -6.954 2.406 0.710 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.174 4.751 0.562 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.446 5.209 1.558 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.112 3.999 2.781 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.339 5.359 3.747 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.417 6.502 2.421 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.880 5.886 4.127 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.734 7.125 4.598 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.476 7.381 1.767 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.310 7.654 4.788 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.012 9.225 4.384 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -8.276 9.715 1.383 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -9.452 10.340 2.545 1.00 2.78 H new ATOM 680 N LEU A 43 -3.403 3.374 1.553 1.00 0.46 N ATOM 681 CA LEU A 43 -2.387 2.676 2.280 1.00 0.42 C ATOM 682 C LEU A 43 -2.201 3.228 3.651 1.00 0.43 C ATOM 683 O LEU A 43 -2.195 4.430 3.908 1.00 0.55 O ATOM 684 CB LEU A 43 -1.073 2.517 1.496 1.00 0.55 C ATOM 685 CG LEU A 43 -1.010 1.397 0.443 1.00 0.65 C ATOM 686 CD1 LEU A 43 0.408 1.266 -0.139 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.404 -0.015 0.908 1.00 1.12 C ATOM 0 H LEU A 43 -3.068 3.969 0.795 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.750 1.657 2.411 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.862 3.462 0.996 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.270 2.350 2.214 1.00 0.55 H new ATOM 0 HG LEU A 43 -1.755 1.725 -0.282 1.00 0.65 H new ATOM 0 HD11 LEU A 43 0.425 0.467 -0.881 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.696 2.205 -0.611 1.00 1.17 H new ATOM 0 HD13 LEU A 43 1.110 1.032 0.662 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.317 -0.710 0.073 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.741 -0.331 1.714 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.433 -0.006 1.267 1.00 1.12 H new ATOM 699 N ILE A 44 -2.022 2.318 4.625 1.00 0.42 N ATOM 700 CA ILE A 44 -1.823 2.740 5.977 1.00 0.46 C ATOM 701 C ILE A 44 -0.579 2.065 6.446 1.00 0.42 C ATOM 702 O ILE A 44 -0.219 0.981 5.988 1.00 0.53 O ATOM 703 CB ILE A 44 -2.867 2.103 6.844 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.234 2.578 6.321 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.778 2.429 8.345 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.436 4.088 6.435 1.00 1.27 C ATOM 0 H ILE A 44 -2.015 1.308 4.482 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.822 3.829 6.026 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.714 1.026 6.779 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.338 2.283 5.277 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.023 2.070 6.876 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.580 1.917 8.877 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.815 2.097 8.733 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.876 3.505 8.490 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.420 4.354 6.048 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.364 4.387 7.481 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.668 4.602 5.857 1.00 1.27 H new ATOM 718 N PHE A 45 0.209 2.711 7.323 1.00 0.42 N ATOM 719 CA PHE A 45 1.404 2.189 7.909 1.00 0.46 C ATOM 720 C PHE A 45 1.518 2.649 9.321 1.00 0.68 C ATOM 721 O PHE A 45 1.363 3.847 9.556 1.00 1.50 O ATOM 722 CB PHE A 45 2.595 2.536 6.999 1.00 0.56 C ATOM 723 CG PHE A 45 3.864 2.193 7.698 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.232 0.871 7.787 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.677 3.128 8.293 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.428 0.503 8.357 1.00 1.20 C ATOM 727 CE2 PHE A 45 5.883 2.747 8.833 1.00 1.33 C ATOM 728 CZ PHE A 45 6.296 1.437 8.872 1.00 1.02 C ATOM 0 H PHE A 45 -0.002 3.656 7.642 1.00 0.42 H new ATOM 0 HA PHE A 45 1.386 1.101 7.974 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.523 1.986 6.061 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.579 3.597 6.749 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.570 0.109 7.403 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.369 4.162 8.336 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.692 -0.543 8.401 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.531 3.508 9.243 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.253 1.155 9.286 1.00 1.02 H new ATOM 738 N ALA A 46 1.830 1.791 10.309 1.00 0.81 N ATOM 739 CA ALA A 46 2.079 2.101 11.682 1.00 0.96 C ATOM 740 C ALA A 46 0.858 2.622 12.359 1.00 0.97 C ATOM 741 O ALA A 46 0.150 1.816 12.960 1.00 1.21 O ATOM 742 CB ALA A 46 3.353 2.940 11.887 1.00 1.20 C ATOM 0 H ALA A 46 1.915 0.791 10.128 1.00 0.81 H new ATOM 0 HA ALA A 46 2.307 1.167 12.196 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.488 3.143 12.949 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.215 2.390 11.510 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.259 3.882 11.347 1.00 1.20 H new ATOM 748 N GLY A 47 0.604 3.935 12.217 1.00 0.99 N ATOM 749 CA GLY A 47 -0.520 4.545 12.856 1.00 1.10 C ATOM 750 C GLY A 47 -0.898 5.777 12.109 1.00 1.03 C ATOM 751 O GLY A 47 -1.620 6.619 12.642 1.00 1.30 O ATOM 0 H GLY A 47 1.175 4.572 11.662 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.359 3.850 12.884 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.276 4.792 13.889 1.00 1.10 H new ATOM 755 N LYS A 48 -0.424 5.924 10.859 1.00 0.98 N ATOM 756 CA LYS A 48 -0.693 7.088 10.074 1.00 1.05 C ATOM 757 C LYS A 48 -1.265 6.676 8.760 1.00 0.84 C ATOM 758 O LYS A 48 -1.436 5.521 8.375 1.00 0.81 O ATOM 759 CB LYS A 48 0.591 7.898 9.833 1.00 1.42 C ATOM 760 CG LYS A 48 1.746 7.046 9.301 1.00 1.61 C ATOM 761 CD LYS A 48 2.968 7.956 9.171 1.00 1.87 C ATOM 762 CE LYS A 48 3.541 8.461 10.497 1.00 2.22 C ATOM 763 NZ LYS A 48 4.724 9.327 10.285 1.00 2.55 N ATOM 0 H LYS A 48 0.153 5.227 10.388 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.403 7.713 10.616 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.381 8.699 9.124 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.896 8.371 10.766 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.955 6.218 9.978 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.488 6.611 8.336 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.750 7.416 8.637 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.699 8.816 8.558 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.775 9.017 11.037 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.818 7.612 11.121 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.086 9.651 11.204 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.464 8.789 9.791 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.453 10.150 9.710 1.00 2.55 H new ATOM 777 N GLN A 49 -1.831 7.615 7.982 1.00 0.84 N ATOM 778 CA GLN A 49 -2.232 7.376 6.630 1.00 0.80 C ATOM 779 C GLN A 49 -1.075 7.782 5.784 1.00 0.72 C ATOM 780 O GLN A 49 -0.179 8.561 6.107 1.00 0.83 O ATOM 781 CB GLN A 49 -3.486 8.203 6.297 1.00 1.03 C ATOM 782 CG GLN A 49 -4.777 7.702 6.948 1.00 1.67 C ATOM 783 CD GLN A 49 -5.976 8.612 6.719 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.069 9.361 5.749 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.984 8.478 7.622 1.00 2.48 N ATOM 0 H GLN A 49 -2.015 8.566 8.301 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.491 6.331 6.458 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.316 9.234 6.606 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.621 8.212 5.215 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -5.007 6.710 6.560 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.614 7.595 8.020 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.876 7.848 8.417 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.848 9.008 7.504 1.00 2.48 H new ATOM 794 N LEU A 50 -1.072 7.321 4.521 1.00 0.69 N ATOM 795 CA LEU A 50 -0.062 7.616 3.552 1.00 0.66 C ATOM 796 C LEU A 50 -0.627 8.518 2.509 1.00 0.72 C ATOM 797 O LEU A 50 -1.774 8.326 2.110 1.00 0.90 O ATOM 798 CB LEU A 50 0.503 6.289 3.018 1.00 0.65 C ATOM 799 CG LEU A 50 1.155 5.499 4.165 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.648 4.151 3.611 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.352 6.220 4.806 1.00 0.74 C ATOM 0 H LEU A 50 -1.808 6.715 4.158 1.00 0.69 H new ATOM 0 HA LEU A 50 0.778 8.159 3.985 1.00 0.66 H new ATOM 0 HB2 LEU A 50 -0.295 5.700 2.566 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.237 6.484 2.236 1.00 0.65 H new ATOM 0 HG LEU A 50 0.397 5.379 4.939 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.114 3.577 4.412 1.00 0.77 H new ATOM 0 HD12 LEU A 50 0.803 3.592 3.208 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.377 4.327 2.820 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.761 5.604 5.607 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.120 6.392 4.052 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.025 7.176 5.215 1.00 0.74 H new ATOM 813 N GLU A 51 0.225 9.395 1.947 1.00 0.70 N ATOM 814 CA GLU A 51 -0.040 10.237 0.822 1.00 0.76 C ATOM 815 C GLU A 51 0.470 9.621 -0.435 1.00 0.77 C ATOM 816 O GLU A 51 1.465 8.898 -0.438 1.00 1.23 O ATOM 817 CB GLU A 51 0.593 11.600 1.144 1.00 0.88 C ATOM 818 CG GLU A 51 0.199 12.796 0.274 1.00 1.35 C ATOM 819 CD GLU A 51 0.727 14.111 0.830 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.574 14.341 2.060 1.00 1.89 O ATOM 821 OE2 GLU A 51 1.208 14.991 0.069 1.00 1.94 O ATOM 0 H GLU A 51 1.170 9.524 2.308 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.108 10.368 0.649 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.351 11.845 2.178 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.676 11.488 1.088 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.583 12.650 -0.736 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.887 12.846 0.198 1.00 1.35 H new ATOM 828 N ASP A 52 -0.241 9.813 -1.561 1.00 0.66 N ATOM 829 CA ASP A 52 -0.097 9.027 -2.748 1.00 0.65 C ATOM 830 C ASP A 52 0.970 9.457 -3.695 1.00 0.60 C ATOM 831 O ASP A 52 1.608 8.587 -4.285 1.00 0.62 O ATOM 832 CB ASP A 52 -1.490 9.061 -3.398 1.00 0.81 C ATOM 833 CG ASP A 52 -2.554 8.715 -2.367 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.464 7.611 -1.765 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.416 9.591 -2.087 1.00 1.44 O ATOM 0 H ASP A 52 -0.945 10.546 -1.648 1.00 0.66 H new ATOM 0 HA ASP A 52 0.241 8.026 -2.482 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.682 10.050 -3.813 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.531 8.354 -4.226 1.00 0.81 H new ATOM 840 N GLY A 53 1.223 10.748 -3.970 1.00 0.68 N ATOM 841 CA GLY A 53 2.328 11.250 -4.727 1.00 0.73 C ATOM 842 C GLY A 53 3.553 11.489 -3.911 1.00 0.72 C ATOM 843 O GLY A 53 4.158 12.542 -4.100 1.00 0.97 O ATOM 0 H GLY A 53 0.611 11.494 -3.639 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.564 10.543 -5.522 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.034 12.183 -5.207 1.00 0.73 H new ATOM 847 N ARG A 54 3.941 10.520 -3.065 1.00 0.64 N ATOM 848 CA ARG A 54 5.206 10.575 -2.398 1.00 0.63 C ATOM 849 C ARG A 54 5.789 9.220 -2.609 1.00 0.59 C ATOM 850 O ARG A 54 5.170 8.248 -3.039 1.00 0.62 O ATOM 851 CB ARG A 54 5.080 10.952 -0.913 1.00 0.69 C ATOM 852 CG ARG A 54 4.269 12.228 -0.676 1.00 0.82 C ATOM 853 CD ARG A 54 4.270 12.690 0.783 1.00 1.18 C ATOM 854 NE ARG A 54 5.676 12.944 1.205 1.00 1.50 N ATOM 855 CZ ARG A 54 5.919 13.423 2.460 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.957 13.522 3.424 1.00 2.48 N ATOM 857 NH2 ARG A 54 7.177 13.762 2.865 1.00 2.49 N ATOM 0 H ARG A 54 3.380 9.698 -2.842 1.00 0.64 H new ATOM 0 HA ARG A 54 5.848 11.360 -2.798 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.612 10.128 -0.375 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.077 11.081 -0.493 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.670 13.025 -1.302 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.240 12.060 -0.995 1.00 0.82 H new ATOM 0 HD2 ARG A 54 3.674 13.596 0.892 1.00 1.18 H new ATOM 0 HD3 ARG A 54 3.816 11.931 1.420 1.00 1.18 H new ATOM 0 HE ARG A 54 6.448 12.762 0.564 1.00 1.50 H new ATOM 0 HH11 ARG A 54 4.001 13.230 3.222 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.195 13.888 4.346 1.00 2.48 H new ATOM 0 HH21 ARG A 54 7.964 13.660 2.224 1.00 2.49 H new ATOM 0 HH22 ARG A 54 7.331 14.118 3.809 1.00 2.49 H new ATOM 871 N THR A 55 7.107 9.093 -2.370 1.00 0.63 N ATOM 872 CA THR A 55 7.763 7.839 -2.569 1.00 0.61 C ATOM 873 C THR A 55 7.808 6.951 -1.373 1.00 0.59 C ATOM 874 O THR A 55 7.557 7.337 -0.233 1.00 0.64 O ATOM 875 CB THR A 55 9.070 7.838 -3.306 1.00 0.68 C ATOM 876 OG1 THR A 55 10.149 8.359 -2.543 1.00 0.75 O ATOM 877 CG2 THR A 55 9.017 8.543 -4.671 1.00 0.76 C ATOM 0 H THR A 55 7.711 9.847 -2.044 1.00 0.63 H new ATOM 0 HA THR A 55 7.065 7.396 -3.280 1.00 0.61 H new ATOM 0 HB THR A 55 9.257 6.779 -3.486 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.981 9.303 -2.341 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.999 8.500 -5.141 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.287 8.045 -5.309 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.727 9.584 -4.532 1.00 0.76 H new ATOM 885 N LEU A 56 8.324 5.725 -1.575 1.00 0.58 N ATOM 886 CA LEU A 56 8.604 4.797 -0.523 1.00 0.59 C ATOM 887 C LEU A 56 9.805 5.238 0.240 1.00 0.64 C ATOM 888 O LEU A 56 9.905 4.959 1.434 1.00 0.70 O ATOM 889 CB LEU A 56 8.864 3.403 -1.122 1.00 0.60 C ATOM 890 CG LEU A 56 7.551 2.906 -1.751 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.860 1.789 -2.761 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.481 2.478 -0.733 1.00 1.03 C ATOM 0 H LEU A 56 8.554 5.368 -2.502 1.00 0.58 H new ATOM 0 HA LEU A 56 7.748 4.754 0.150 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.652 3.452 -1.873 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.202 2.713 -0.349 1.00 0.60 H new ATOM 0 HG LEU A 56 7.104 3.756 -2.267 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.931 1.435 -3.208 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.514 2.176 -3.542 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.354 0.963 -2.250 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.589 2.142 -1.262 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.867 1.664 -0.120 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.227 3.324 -0.095 1.00 1.03 H new ATOM 904 N SER A 57 10.686 6.038 -0.387 1.00 0.68 N ATOM 905 CA SER A 57 11.907 6.490 0.204 1.00 0.75 C ATOM 906 C SER A 57 11.778 7.718 1.036 1.00 0.76 C ATOM 907 O SER A 57 12.282 7.737 2.158 1.00 0.84 O ATOM 908 CB SER A 57 12.935 6.746 -0.910 1.00 0.84 C ATOM 909 OG SER A 57 14.253 6.877 -0.398 1.00 1.19 O ATOM 0 H SER A 57 10.544 6.382 -1.337 1.00 0.68 H new ATOM 0 HA SER A 57 12.226 5.699 0.883 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.905 5.926 -1.627 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.665 7.653 -1.451 1.00 0.84 H new ATOM 0 HG SER A 57 14.877 7.037 -1.137 1.00 1.19 H new ATOM 915 N ASP A 58 10.995 8.724 0.608 1.00 0.75 N ATOM 916 CA ASP A 58 10.566 9.875 1.340 1.00 0.78 C ATOM 917 C ASP A 58 9.924 9.502 2.632 1.00 0.77 C ATOM 918 O ASP A 58 10.127 10.087 3.695 1.00 0.86 O ATOM 919 CB ASP A 58 9.679 10.860 0.559 1.00 0.83 C ATOM 920 CG ASP A 58 10.371 11.224 -0.747 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.410 11.921 -0.610 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.794 10.933 -1.829 1.00 1.90 O ATOM 0 H ASP A 58 10.628 8.730 -0.344 1.00 0.75 H new ATOM 0 HA ASP A 58 11.490 10.417 1.539 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.706 10.412 0.357 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.500 11.757 1.152 1.00 0.83 H new ATOM 927 N TYR A 59 9.006 8.520 2.626 1.00 0.72 N ATOM 928 CA TYR A 59 8.400 8.038 3.827 1.00 0.73 C ATOM 929 C TYR A 59 9.293 7.168 4.643 1.00 0.76 C ATOM 930 O TYR A 59 8.934 6.781 5.755 1.00 0.89 O ATOM 931 CB TYR A 59 7.111 7.270 3.484 1.00 0.73 C ATOM 932 CG TYR A 59 5.932 8.163 3.662 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.410 8.392 4.914 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.465 8.796 2.535 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.232 9.089 5.046 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.291 9.504 2.638 1.00 0.70 C ATOM 937 CZ TYR A 59 3.728 9.628 3.887 1.00 0.74 C ATOM 938 OH TYR A 59 2.440 10.205 3.913 1.00 0.86 O ATOM 0 H TYR A 59 8.680 8.055 1.778 1.00 0.72 H new ATOM 0 HA TYR A 59 8.181 8.916 4.434 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.154 6.909 2.456 1.00 0.73 H new ATOM 0 HB3 TYR A 59 7.016 6.394 4.126 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.924 8.026 5.790 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.002 8.739 1.600 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.736 9.205 5.998 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.827 9.947 1.769 1.00 0.70 H new ATOM 0 HH TYR A 59 2.392 10.927 3.252 1.00 0.86 H new ATOM 948 N ASN A 60 10.465 6.764 4.123 1.00 0.74 N ATOM 949 CA ASN A 60 11.393 5.885 4.766 1.00 0.79 C ATOM 950 C ASN A 60 10.853 4.537 5.098 1.00 0.75 C ATOM 951 O ASN A 60 11.007 3.978 6.182 1.00 0.86 O ATOM 952 CB ASN A 60 12.142 6.638 5.878 1.00 0.95 C ATOM 953 CG ASN A 60 13.425 5.970 6.352 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.843 4.830 6.155 1.00 1.84 O ATOM 955 ND2 ASN A 60 14.154 6.739 7.205 1.00 1.83 N ATOM 0 H ASN A 60 10.783 7.067 3.203 1.00 0.74 H new ATOM 0 HA ASN A 60 12.156 5.595 4.043 1.00 0.79 H new ATOM 0 HB2 ASN A 60 12.382 7.640 5.521 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.474 6.755 6.731 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.995 6.361 7.640 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.859 7.694 7.409 1.00 1.83 H new ATOM 962 N ILE A 61 10.195 3.930 4.094 1.00 0.67 N ATOM 963 CA ILE A 61 9.597 2.631 4.089 1.00 0.65 C ATOM 964 C ILE A 61 10.675 1.606 3.996 1.00 0.66 C ATOM 965 O ILE A 61 11.612 1.713 3.207 1.00 0.75 O ATOM 966 CB ILE A 61 8.556 2.440 3.026 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.399 3.446 3.148 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.990 1.015 2.890 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.491 3.293 4.367 1.00 0.82 C ATOM 0 H ILE A 61 10.071 4.399 3.197 1.00 0.67 H new ATOM 0 HA ILE A 61 9.051 2.517 5.026 1.00 0.65 H new ATOM 0 HB ILE A 61 9.114 2.629 2.109 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.820 4.451 3.160 1.00 0.70 H new ATOM 0 HG13 ILE A 61 6.783 3.369 2.252 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.247 0.993 2.093 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.798 0.324 2.652 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.523 0.718 3.829 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.715 4.058 4.341 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.028 2.306 4.354 1.00 0.82 H new ATOM 0 HD13 ILE A 61 7.081 3.405 5.277 1.00 0.82 H new ATOM 981 N GLN A 62 10.694 0.561 4.842 1.00 0.67 N ATOM 982 CA GLN A 62 11.765 -0.385 4.801 1.00 0.70 C ATOM 983 C GLN A 62 11.811 -1.264 3.599 1.00 0.62 C ATOM 984 O GLN A 62 10.889 -1.393 2.795 1.00 0.64 O ATOM 985 CB GLN A 62 11.907 -1.251 6.064 1.00 0.85 C ATOM 986 CG GLN A 62 12.135 -0.597 7.429 1.00 1.27 C ATOM 987 CD GLN A 62 12.823 -1.552 8.392 1.00 1.57 C ATOM 988 OE1 GLN A 62 12.157 -2.424 8.948 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.138 -1.343 8.670 1.00 2.16 N ATOM 0 H GLN A 62 9.979 0.372 5.545 1.00 0.67 H new ATOM 0 HA GLN A 62 12.621 0.287 4.742 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.004 -1.856 6.143 1.00 0.85 H new ATOM 0 HB3 GLN A 62 12.736 -1.937 5.893 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.742 0.300 7.308 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.179 -0.281 7.847 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.651 -0.608 8.184 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.611 -1.922 9.364 1.00 2.16 H new ATOM 998 N LYS A 63 12.886 -2.049 3.404 1.00 0.64 N ATOM 999 CA LYS A 63 13.057 -3.063 2.410 1.00 0.62 C ATOM 1000 C LYS A 63 11.978 -4.083 2.525 1.00 0.59 C ATOM 1001 O LYS A 63 11.239 -4.262 1.558 1.00 0.66 O ATOM 1002 CB LYS A 63 14.423 -3.756 2.549 1.00 0.74 C ATOM 1003 CG LYS A 63 14.700 -4.975 1.666 1.00 0.89 C ATOM 1004 CD LYS A 63 16.163 -5.376 1.862 1.00 1.11 C ATOM 1005 CE LYS A 63 16.481 -6.761 1.296 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.307 -6.703 -0.173 1.00 2.12 N ATOM 0 H LYS A 63 13.711 -1.964 3.998 1.00 0.64 H new ATOM 0 HA LYS A 63 13.007 -2.580 1.434 1.00 0.62 H new ATOM 0 HB2 LYS A 63 15.196 -3.015 2.348 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.538 -4.063 3.589 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.039 -5.799 1.935 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.506 -4.740 0.620 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.805 -4.637 1.382 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.399 -5.361 2.926 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.501 -7.051 1.548 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.820 -7.511 1.729 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.630 -7.596 -0.596 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.302 -6.557 -0.398 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.866 -5.915 -0.558 1.00 2.12 H new ATOM 1020 N GLU A 64 11.821 -4.699 3.711 1.00 0.57 N ATOM 1021 CA GLU A 64 10.735 -5.571 4.035 1.00 0.58 C ATOM 1022 C GLU A 64 9.763 -4.849 4.903 1.00 0.56 C ATOM 1023 O GLU A 64 9.893 -4.778 6.124 1.00 0.70 O ATOM 1024 CB GLU A 64 11.295 -6.879 4.622 1.00 0.72 C ATOM 1025 CG GLU A 64 10.314 -7.967 5.062 1.00 0.96 C ATOM 1026 CD GLU A 64 10.948 -8.865 6.114 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.046 -8.437 7.296 1.00 1.71 O ATOM 1028 OE2 GLU A 64 11.410 -9.962 5.699 1.00 1.69 O ATOM 0 H GLU A 64 12.482 -4.583 4.479 1.00 0.57 H new ATOM 0 HA GLU A 64 10.170 -5.865 3.150 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.961 -7.316 3.878 1.00 0.72 H new ATOM 0 HB3 GLU A 64 11.908 -6.618 5.485 1.00 0.72 H new ATOM 0 HG2 GLU A 64 9.410 -7.509 5.464 1.00 0.96 H new ATOM 0 HG3 GLU A 64 10.013 -8.563 4.201 1.00 0.96 H new ATOM 1035 N SER A 65 8.745 -4.224 4.285 1.00 0.51 N ATOM 1036 CA SER A 65 7.736 -3.579 5.066 1.00 0.51 C ATOM 1037 C SER A 65 6.360 -4.142 4.976 1.00 0.43 C ATOM 1038 O SER A 65 5.931 -4.574 3.907 1.00 0.50 O ATOM 1039 CB SER A 65 7.650 -2.089 4.689 1.00 0.65 C ATOM 1040 OG SER A 65 6.800 -1.354 5.557 1.00 1.04 O ATOM 0 H SER A 65 8.621 -4.165 3.274 1.00 0.51 H new ATOM 0 HA SER A 65 8.066 -3.746 6.091 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.649 -1.654 4.711 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.285 -1.997 3.666 1.00 0.65 H new ATOM 0 HG SER A 65 7.282 -1.141 6.383 1.00 1.04 H new ATOM 1046 N THR A 66 5.612 -4.120 6.094 1.00 0.45 N ATOM 1047 CA THR A 66 4.271 -4.599 6.230 1.00 0.45 C ATOM 1048 C THR A 66 3.302 -3.468 6.241 1.00 0.43 C ATOM 1049 O THR A 66 3.219 -2.732 7.223 1.00 0.58 O ATOM 1050 CB THR A 66 4.083 -5.295 7.546 1.00 0.61 C ATOM 1051 OG1 THR A 66 5.114 -6.248 7.757 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.724 -6.015 7.533 1.00 0.78 C ATOM 0 H THR A 66 5.973 -3.738 6.968 1.00 0.45 H new ATOM 0 HA THR A 66 4.099 -5.271 5.389 1.00 0.45 H new ATOM 0 HB THR A 66 4.118 -4.559 8.349 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.978 -6.692 8.620 1.00 0.79 H new ATOM 0 HG21 THR A 66 2.574 -6.526 8.484 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.928 -5.286 7.383 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.706 -6.744 6.723 1.00 0.78 H new ATOM 1060 N LEU A 67 2.592 -3.190 5.133 1.00 0.38 N ATOM 1061 CA LEU A 67 1.617 -2.146 5.070 1.00 0.38 C ATOM 1062 C LEU A 67 0.253 -2.746 5.056 1.00 0.37 C ATOM 1063 O LEU A 67 0.047 -3.958 5.010 1.00 0.50 O ATOM 1064 CB LEU A 67 1.705 -1.261 3.814 1.00 0.46 C ATOM 1065 CG LEU A 67 3.068 -0.549 3.779 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.230 -1.328 3.137 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.970 0.864 3.183 1.00 1.31 C ATOM 0 H LEU A 67 2.699 -3.704 4.259 1.00 0.38 H new ATOM 0 HA LEU A 67 1.814 -1.523 5.943 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.578 -1.869 2.919 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.900 -0.527 3.817 1.00 0.46 H new ATOM 0 HG LEU A 67 3.331 -0.482 4.835 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.136 -0.723 3.172 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.392 -2.256 3.684 1.00 1.40 H new ATOM 0 HD13 LEU A 67 3.986 -1.556 2.100 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.957 1.327 3.179 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.594 0.803 2.162 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.289 1.466 3.785 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.761 -1.867 5.149 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.146 -2.219 5.123 1.00 0.37 C ATOM 1081 C HIS A 68 -3.014 -1.582 4.093 1.00 0.35 C ATOM 1082 O HIS A 68 -2.948 -0.379 3.846 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.813 -2.034 6.495 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.308 -2.989 7.536 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.062 -3.069 8.125 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -3.115 -3.857 8.201 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.194 -4.061 9.045 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -2.432 -4.485 9.222 1.00 1.51 N ATOM 0 H HIS A 68 -0.607 -0.863 5.247 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.083 -3.268 4.833 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.646 -1.013 6.837 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.890 -2.162 6.387 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -4.154 -4.032 7.962 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.354 -4.469 9.587 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -2.793 -5.118 9.935 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.865 -2.451 3.521 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.830 -2.034 2.550 1.00 0.38 C ATOM 1098 C LEU A 69 -6.154 -1.773 3.181 1.00 0.41 C ATOM 1099 O LEU A 69 -6.825 -2.663 3.702 1.00 0.56 O ATOM 1100 CB LEU A 69 -5.042 -2.964 1.345 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.872 -2.534 0.123 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.189 -1.311 -0.511 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.944 -3.779 -0.777 1.00 1.14 C ATOM 0 H LEU A 69 -3.885 -3.449 3.732 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.385 -1.123 2.149 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.052 -3.231 0.975 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.496 -3.878 1.728 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.891 -2.215 0.344 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.759 -0.986 -1.381 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.145 -0.501 0.217 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.178 -1.578 -0.819 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.523 -3.548 -1.672 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.936 -4.079 -1.064 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.424 -4.593 -0.234 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.594 -0.509 3.056 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.871 -0.021 3.476 1.00 0.56 C ATOM 1117 C VAL A 70 -8.652 0.596 2.367 1.00 0.55 C ATOM 1118 O VAL A 70 -8.186 1.496 1.669 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.807 0.949 4.619 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.211 1.332 5.112 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.140 0.253 5.818 1.00 0.97 C ATOM 0 H VAL A 70 -6.019 0.220 2.633 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.384 -0.919 3.821 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.266 1.828 4.269 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.126 2.036 5.940 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.769 1.795 4.298 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.735 0.437 5.448 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.086 0.946 6.657 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.727 -0.619 6.105 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.133 -0.062 5.542 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.857 0.061 2.105 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.753 0.538 1.096 1.00 0.84 C ATOM 1133 C LEU A 71 -11.608 1.693 1.488 1.00 0.85 C ATOM 1134 O LEU A 71 -12.103 1.905 2.593 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.694 -0.567 0.585 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.039 -1.806 -0.049 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.068 -2.562 -0.907 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.779 -1.463 -0.861 1.00 2.78 C ATOM 0 H LEU A 71 -10.224 -0.740 2.619 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.068 0.876 0.318 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.310 -0.900 1.420 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.366 -0.126 -0.151 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.707 -2.453 0.763 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.597 -3.438 -1.353 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.902 -2.878 -0.281 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.435 -1.906 -1.697 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.360 -2.376 -1.285 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.041 -0.776 -1.666 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.042 -0.994 -0.209 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.805 2.631 0.542 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.715 3.734 0.534 1.00 1.10 C ATOM 1152 C ARG A 72 -14.009 3.356 -0.099 1.00 1.35 C ATOM 1153 O ARG A 72 -14.040 3.085 -1.299 1.00 1.56 O ATOM 1154 CB ARG A 72 -12.217 5.045 -0.097 1.00 1.34 C ATOM 1155 CG ARG A 72 -10.771 5.373 0.282 1.00 1.65 C ATOM 1156 CD ARG A 72 -10.146 6.654 -0.274 1.00 1.99 C ATOM 1157 NE ARG A 72 -10.795 7.730 0.527 1.00 2.54 N ATOM 1158 CZ ARG A 72 -11.033 8.985 0.045 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -10.322 9.622 -0.928 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -12.149 9.581 0.561 1.00 3.75 N ATOM 0 H ARG A 72 -11.258 2.609 -0.319 1.00 0.92 H new ATOM 0 HA ARG A 72 -12.832 3.955 1.595 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -12.296 4.974 -1.182 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -12.865 5.863 0.217 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -10.716 5.421 1.370 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -10.147 4.536 -0.032 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -9.063 6.659 -0.151 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -10.346 6.769 -1.339 1.00 1.99 H new ATOM 0 HE ARG A 72 -11.076 7.518 1.484 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -9.528 9.156 -1.367 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -10.584 10.564 -1.217 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -12.721 9.086 1.246 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -12.410 10.521 0.262 1.00 3.75 H new ATOM 1174 N LEU A 73 -15.063 3.288 0.733 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.414 3.080 0.316 1.00 1.93 C ATOM 1176 C LEU A 73 -16.933 4.420 -0.078 1.00 2.13 C ATOM 1177 O LEU A 73 -16.648 5.436 0.553 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.234 2.392 1.421 1.00 2.23 C ATOM 1179 CG LEU A 73 -16.645 1.024 1.803 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -17.459 0.621 3.044 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -16.786 0.076 0.600 1.00 3.14 C ATOM 0 H LEU A 73 -14.968 3.383 1.744 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.487 2.400 -0.533 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -17.266 3.033 2.302 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -18.262 2.263 1.083 1.00 2.23 H new ATOM 0 HG LEU A 73 -15.581 1.012 2.040 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -17.118 -0.350 3.403 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -17.321 1.366 3.827 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -18.515 0.561 2.782 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -16.372 -0.900 0.855 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -17.840 -0.032 0.344 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.246 0.487 -0.253 1.00 3.14 H new ATOM 1193 N ARG A 74 -17.735 4.482 -1.156 1.00 2.32 N ATOM 1194 CA ARG A 74 -18.336 5.701 -1.601 1.00 2.55 C ATOM 1195 C ARG A 74 -19.474 6.222 -0.792 1.00 2.58 C ATOM 1196 O ARG A 74 -20.304 5.459 -0.301 1.00 3.08 O ATOM 1197 CB ARG A 74 -18.712 5.484 -3.077 1.00 3.29 C ATOM 1198 CG ARG A 74 -19.476 6.538 -3.879 1.00 4.01 C ATOM 1199 CD ARG A 74 -19.381 6.343 -5.394 1.00 4.67 C ATOM 1200 NE ARG A 74 -20.237 5.146 -5.626 1.00 5.36 N ATOM 1201 CZ ARG A 74 -20.551 4.533 -6.804 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -19.940 4.869 -7.978 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -21.629 3.719 -7.000 1.00 6.80 N ATOM 0 H ARG A 74 -17.970 3.671 -1.729 1.00 2.32 H new ATOM 0 HA ARG A 74 -17.606 6.500 -1.470 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -17.783 5.292 -3.614 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -19.300 4.567 -3.121 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -20.525 6.517 -3.584 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -19.092 7.526 -3.623 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -19.747 7.214 -5.938 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -18.354 6.174 -5.717 1.00 4.67 H new ATOM 0 HE ARG A 74 -20.644 4.727 -4.790 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -19.226 5.597 -7.991 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -20.197 4.392 -8.842 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -22.272 3.530 -6.231 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -21.791 3.299 -7.915 1.00 6.80 H new ATOM 1217 N GLY A 75 -19.576 7.560 -0.715 1.00 2.73 N ATOM 1218 CA GLY A 75 -20.402 8.351 0.144 1.00 3.22 C ATOM 1219 C GLY A 75 -19.784 9.565 0.747 1.00 3.16 C ATOM 1220 O GLY A 75 -20.068 10.661 0.265 1.00 3.57 O ATOM 0 H GLY A 75 -19.014 8.153 -1.326 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -21.279 8.663 -0.423 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -20.757 7.714 0.954 1.00 3.22 H new ATOM 1224 N GLY A 76 -18.961 9.418 1.801 1.00 3.14 N ATOM 1225 CA GLY A 76 -18.412 10.599 2.392 1.00 3.37 C ATOM 1226 C GLY A 76 -17.486 10.173 3.523 1.00 3.48 C ATOM 1227 O GLY A 76 -18.029 9.681 4.548 1.00 3.87 O ATOM 1228 OXT GLY A 76 -16.238 10.239 3.367 1.00 3.70 O ATOM 0 H GLY A 76 -18.686 8.532 2.226 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -17.864 11.178 1.648 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -19.207 11.240 2.772 1.00 3.37 H new TER 1232 GLY A 76