USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 640 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 47 SER OG : rot -65:sc= 2.25 USER MOD Set 1.2: A 54 GLN : amide:sc= -0.58 K(o=1.7,f=-4.7!) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.1 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0463 K(o=-0.046,f=-1.2) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -98:sc= 0.0465 (180deg=-0.106) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0301 X(o=-0.03,f=-0.33) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 75:sc= 0.402 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -133:sc= 0.58 (180deg=-0.456!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 29 GLN : amide:sc= -0.148 K(o=-0.15,f=-5!) USER MOD Single : A 36 ASN : amide:sc= -1.8 K(o=-1.8,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 165:sc= -0.934 (180deg=-2.23) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.013) USER MOD Single : A 65 TYR OH : rot -95:sc= 1.76 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.426 7.660 -9.260 1.00 0.00 N ATOM 2 CA ALA A 1 -6.222 8.219 -7.911 1.00 0.00 C ATOM 3 C ALA A 1 -4.838 7.844 -7.391 1.00 0.00 C ATOM 4 O ALA A 1 -4.213 6.913 -7.912 1.00 0.00 O ATOM 5 CB ALA A 1 -7.305 7.751 -6.936 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.467 8.434 -9.954 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.637 7.025 -9.496 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.318 7.126 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.294 9.304 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.121 8.184 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.282 8.072 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.284 6.664 -6.864 1.00 0.00 H new ATOM 13 N ASN A 2 -4.345 8.552 -6.364 1.00 0.00 N ATOM 14 CA ASN A 2 -3.044 8.257 -5.780 1.00 0.00 C ATOM 15 C ASN A 2 -3.285 7.083 -4.846 1.00 0.00 C ATOM 16 O ASN A 2 -3.665 7.287 -3.697 1.00 0.00 O ATOM 17 CB ASN A 2 -2.394 9.437 -5.013 1.00 0.00 C ATOM 18 CG ASN A 2 -2.813 10.832 -5.434 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.451 11.551 -4.668 1.00 0.00 O ATOM 20 ND2 ASN A 2 -2.487 11.252 -6.637 1.00 0.00 N ATOM 0 H ASN A 2 -4.834 9.332 -5.926 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.332 8.042 -6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.618 9.319 -3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.312 9.359 -5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.764 12.184 -6.944 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.957 10.645 -7.263 1.00 0.00 H new ATOM 27 N VAL A 3 -3.084 5.866 -5.334 1.00 0.00 N ATOM 28 CA VAL A 3 -3.142 4.657 -4.533 1.00 0.00 C ATOM 29 C VAL A 3 -1.899 3.912 -4.892 1.00 0.00 C ATOM 30 O VAL A 3 -1.784 3.432 -6.015 1.00 0.00 O ATOM 31 CB VAL A 3 -4.419 3.843 -4.749 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.412 2.557 -3.901 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.565 4.738 -4.286 1.00 0.00 C ATOM 0 H VAL A 3 -2.872 5.692 -6.316 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.185 4.883 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.512 3.545 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.333 2.000 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.557 1.942 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.342 2.818 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.511 4.213 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.429 4.988 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.574 5.653 -4.878 1.00 0.00 H new ATOM 43 N GLU A 4 -0.950 3.898 -3.974 1.00 0.00 N ATOM 44 CA GLU A 4 0.383 3.427 -4.241 1.00 0.00 C ATOM 45 C GLU A 4 0.727 2.425 -3.158 1.00 0.00 C ATOM 46 O GLU A 4 0.509 2.719 -1.984 1.00 0.00 O ATOM 47 CB GLU A 4 1.345 4.622 -4.286 1.00 0.00 C ATOM 48 CG GLU A 4 0.905 5.736 -5.245 1.00 0.00 C ATOM 49 CD GLU A 4 1.972 6.815 -5.362 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.195 7.579 -4.395 1.00 0.00 O ATOM 51 OE2 GLU A 4 2.573 6.961 -6.448 1.00 0.00 O ATOM 0 H GLU A 4 -1.091 4.218 -3.016 1.00 0.00 H new ATOM 0 HA GLU A 4 0.464 2.933 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.442 5.037 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.333 4.270 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.702 5.313 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.026 6.178 -4.890 1.00 0.00 H new ATOM 58 N ILE A 5 1.190 1.231 -3.532 1.00 0.00 N ATOM 59 CA ILE A 5 1.370 0.135 -2.598 1.00 0.00 C ATOM 60 C ILE A 5 2.763 -0.457 -2.756 1.00 0.00 C ATOM 61 O ILE A 5 3.055 -1.145 -3.733 1.00 0.00 O ATOM 62 CB ILE A 5 0.188 -0.856 -2.654 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.342 -1.819 -1.459 1.00 0.00 C ATOM 64 CG2 ILE A 5 -0.004 -1.629 -3.968 1.00 0.00 C ATOM 65 CD1 ILE A 5 -0.846 -2.758 -1.239 1.00 0.00 C ATOM 0 H ILE A 5 1.449 1.004 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 5 1.337 0.497 -1.570 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.723 -0.259 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.240 -2.419 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.496 -1.232 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.866 -2.290 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.170 -0.925 -4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.888 -2.221 -4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.650 -3.398 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.745 -2.170 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.990 -3.376 -2.125 1.00 0.00 H new ATOM 77 N TYR A 6 3.641 -0.149 -1.806 1.00 0.00 N ATOM 78 CA TYR A 6 4.976 -0.715 -1.761 1.00 0.00 C ATOM 79 C TYR A 6 4.876 -2.159 -1.276 1.00 0.00 C ATOM 80 O TYR A 6 4.200 -2.404 -0.271 1.00 0.00 O ATOM 81 CB TYR A 6 5.886 0.141 -0.875 1.00 0.00 C ATOM 82 CG TYR A 6 6.133 1.558 -1.372 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.190 2.581 -1.144 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.330 1.860 -2.048 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.436 3.890 -1.595 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.597 3.174 -2.476 1.00 0.00 C ATOM 87 CZ TYR A 6 6.640 4.192 -2.263 1.00 0.00 C ATOM 88 OH TYR A 6 6.866 5.450 -2.733 1.00 0.00 O ATOM 0 H TYR A 6 3.442 0.502 -1.046 1.00 0.00 H new ATOM 0 HA TYR A 6 5.425 -0.719 -2.754 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.449 0.195 0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.847 -0.364 -0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.273 2.358 -0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.049 1.077 -2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.702 4.665 -1.429 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.531 3.404 -2.966 1.00 0.00 H new ATOM 0 HH TYR A 6 7.745 5.485 -3.166 1.00 0.00 H new ATOM 98 N THR A 7 5.516 -3.111 -1.968 1.00 0.00 N ATOM 99 CA THR A 7 5.469 -4.533 -1.617 1.00 0.00 C ATOM 100 C THR A 7 6.811 -5.237 -1.871 1.00 0.00 C ATOM 101 O THR A 7 7.767 -4.628 -2.347 1.00 0.00 O ATOM 102 CB THR A 7 4.315 -5.262 -2.348 1.00 0.00 C ATOM 103 OG1 THR A 7 4.627 -5.604 -3.678 1.00 0.00 O ATOM 104 CG2 THR A 7 2.955 -4.558 -2.333 1.00 0.00 C ATOM 0 H THR A 7 6.084 -2.913 -2.792 1.00 0.00 H new ATOM 0 HA THR A 7 5.273 -4.584 -0.546 1.00 0.00 H new ATOM 0 HB THR A 7 4.212 -6.162 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.863 -6.062 -4.086 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.227 -5.162 -2.875 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.624 -4.428 -1.303 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.045 -3.582 -2.811 1.00 0.00 H new ATOM 112 N LYS A 8 6.878 -6.543 -1.596 1.00 0.00 N ATOM 113 CA LYS A 8 7.969 -7.446 -1.972 1.00 0.00 C ATOM 114 C LYS A 8 7.372 -8.722 -2.557 1.00 0.00 C ATOM 115 O LYS A 8 6.154 -8.895 -2.566 1.00 0.00 O ATOM 116 CB LYS A 8 8.998 -7.725 -0.846 1.00 0.00 C ATOM 117 CG LYS A 8 8.719 -7.105 0.521 1.00 0.00 C ATOM 118 CD LYS A 8 9.739 -7.392 1.637 1.00 0.00 C ATOM 119 CE LYS A 8 10.058 -8.880 1.878 1.00 0.00 C ATOM 120 NZ LYS A 8 11.070 -9.429 0.944 1.00 0.00 N ATOM 0 H LYS A 8 6.139 -7.021 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 8 8.567 -6.940 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.075 -8.805 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.973 -7.374 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.649 -6.025 0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.742 -7.451 0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.668 -6.873 1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.364 -6.964 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.414 -9.006 2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.139 -9.459 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.591 -9.931 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.640 -8.652 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.690 -10.091 1.454 1.00 0.00 H new ATOM 134 N GLU A 9 8.243 -9.609 -3.024 1.00 0.00 N ATOM 135 CA GLU A 9 8.004 -10.804 -3.825 1.00 0.00 C ATOM 136 C GLU A 9 6.993 -11.795 -3.233 1.00 0.00 C ATOM 137 O GLU A 9 6.455 -12.617 -3.973 1.00 0.00 O ATOM 138 CB GLU A 9 9.365 -11.463 -4.120 1.00 0.00 C ATOM 139 CG GLU A 9 10.039 -12.168 -2.927 1.00 0.00 C ATOM 140 CD GLU A 9 10.203 -11.294 -1.678 1.00 0.00 C ATOM 141 OE1 GLU A 9 10.733 -10.163 -1.758 1.00 0.00 O ATOM 142 OE2 GLU A 9 9.763 -11.713 -0.585 1.00 0.00 O ATOM 0 H GLU A 9 9.238 -9.497 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 9 7.521 -10.488 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.229 -12.191 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.044 -10.698 -4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.453 -13.048 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.022 -12.521 -3.239 1.00 0.00 H new ATOM 149 N THR A 10 6.704 -11.721 -1.935 1.00 0.00 N ATOM 150 CA THR A 10 5.597 -12.438 -1.308 1.00 0.00 C ATOM 151 C THR A 10 4.918 -11.459 -0.346 1.00 0.00 C ATOM 152 O THR A 10 4.004 -10.754 -0.771 1.00 0.00 O ATOM 153 CB THR A 10 6.065 -13.768 -0.691 1.00 0.00 C ATOM 154 OG1 THR A 10 6.651 -14.604 -1.673 1.00 0.00 O ATOM 155 CG2 THR A 10 4.934 -14.556 -0.028 1.00 0.00 C ATOM 0 H THR A 10 7.241 -11.152 -1.280 1.00 0.00 H new ATOM 0 HA THR A 10 4.849 -12.760 -2.033 1.00 0.00 H new ATOM 0 HB THR A 10 6.792 -13.490 0.072 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.942 -15.442 -1.257 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.331 -15.483 0.387 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.495 -13.959 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.169 -14.788 -0.769 1.00 0.00 H new ATOM 163 N CYS A 11 5.430 -11.311 0.885 1.00 0.00 N ATOM 164 CA CYS A 11 4.901 -10.435 1.929 1.00 0.00 C ATOM 165 C CYS A 11 3.420 -10.740 2.263 1.00 0.00 C ATOM 166 O CYS A 11 2.520 -10.242 1.575 1.00 0.00 O ATOM 167 CB CYS A 11 5.182 -8.978 1.536 1.00 0.00 C ATOM 168 SG CYS A 11 4.336 -7.701 2.490 1.00 0.00 S ATOM 0 H CYS A 11 6.259 -11.822 1.188 1.00 0.00 H new ATOM 0 HA CYS A 11 5.415 -10.626 2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.255 -8.806 1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.915 -8.851 0.487 1.00 0.00 H new ATOM 173 N PRO A 12 3.118 -11.523 3.325 1.00 0.00 N ATOM 174 CA PRO A 12 1.763 -12.028 3.612 1.00 0.00 C ATOM 175 C PRO A 12 0.828 -10.981 4.248 1.00 0.00 C ATOM 176 O PRO A 12 -0.033 -11.287 5.077 1.00 0.00 O ATOM 177 CB PRO A 12 2.026 -13.178 4.599 1.00 0.00 C ATOM 178 CG PRO A 12 3.249 -12.717 5.375 1.00 0.00 C ATOM 179 CD PRO A 12 4.079 -12.098 4.257 1.00 0.00 C ATOM 0 HA PRO A 12 1.248 -12.320 2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.173 -13.343 5.257 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.213 -14.117 4.078 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.998 -11.995 6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.765 -13.544 5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.752 -11.334 4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.698 -12.849 3.767 1.00 0.00 H new ATOM 187 N TYR A 13 0.872 -9.763 3.728 1.00 0.00 N ATOM 188 CA TYR A 13 0.070 -8.599 4.067 1.00 0.00 C ATOM 189 C TYR A 13 -0.030 -7.772 2.794 1.00 0.00 C ATOM 190 O TYR A 13 -1.124 -7.367 2.418 1.00 0.00 O ATOM 191 CB TYR A 13 0.714 -7.800 5.212 1.00 0.00 C ATOM 192 CG TYR A 13 0.479 -8.423 6.571 1.00 0.00 C ATOM 193 CD1 TYR A 13 1.337 -9.431 7.038 1.00 0.00 C ATOM 194 CD2 TYR A 13 -0.630 -8.037 7.345 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.050 -10.106 8.232 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.911 -8.691 8.555 1.00 0.00 C ATOM 197 CZ TYR A 13 -0.084 -9.751 8.991 1.00 0.00 C ATOM 198 OH TYR A 13 -0.331 -10.370 10.180 1.00 0.00 O ATOM 0 H TYR A 13 1.536 -9.545 2.985 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.920 -8.886 4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.787 -7.721 5.035 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.315 -6.786 5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.222 -9.687 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.268 -7.234 7.007 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.699 -10.900 8.572 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.758 -8.385 9.152 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.151 -10.006 10.574 1.00 0.00 H new ATOM 208 N CYS A 14 1.079 -7.623 2.062 1.00 0.00 N ATOM 209 CA CYS A 14 1.089 -7.058 0.725 1.00 0.00 C ATOM 210 C CYS A 14 0.097 -7.813 -0.156 1.00 0.00 C ATOM 211 O CYS A 14 -0.795 -7.189 -0.729 1.00 0.00 O ATOM 212 CB CYS A 14 2.495 -7.150 0.136 1.00 0.00 C ATOM 213 SG CYS A 14 3.847 -6.350 1.050 1.00 0.00 S ATOM 0 H CYS A 14 2.004 -7.898 2.394 1.00 0.00 H new ATOM 0 HA CYS A 14 0.796 -6.009 0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.744 -8.205 0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.468 -6.722 -0.866 1.00 0.00 H new ATOM 218 N HIS A 15 0.182 -9.148 -0.168 1.00 0.00 N ATOM 219 CA HIS A 15 -0.775 -9.992 -0.870 1.00 0.00 C ATOM 220 C HIS A 15 -2.205 -9.647 -0.450 1.00 0.00 C ATOM 221 O HIS A 15 -3.045 -9.432 -1.321 1.00 0.00 O ATOM 222 CB HIS A 15 -0.451 -11.479 -0.629 1.00 0.00 C ATOM 223 CG HIS A 15 -1.636 -12.379 -0.886 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.421 -12.362 -2.022 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.221 -13.212 0.028 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.481 -13.160 -1.795 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.374 -13.691 -0.560 1.00 0.00 N ATOM 0 H HIS A 15 0.918 -9.668 0.310 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.696 -9.804 -1.941 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.374 -11.777 -1.276 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.114 -11.612 0.399 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.853 -13.448 1.015 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.287 -13.345 -2.490 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.035 -14.339 -0.132 1.00 0.00 H new ATOM 236 N ARG A 16 -2.497 -9.607 0.858 1.00 0.00 N ATOM 237 CA ARG A 16 -3.849 -9.344 1.341 1.00 0.00 C ATOM 238 C ARG A 16 -4.368 -8.021 0.799 1.00 0.00 C ATOM 239 O ARG A 16 -5.467 -7.988 0.257 1.00 0.00 O ATOM 240 CB ARG A 16 -3.941 -9.381 2.877 1.00 0.00 C ATOM 241 CG ARG A 16 -3.989 -10.823 3.409 1.00 0.00 C ATOM 242 CD ARG A 16 -4.417 -10.844 4.883 1.00 0.00 C ATOM 243 NE ARG A 16 -5.125 -12.081 5.240 1.00 0.00 N ATOM 244 CZ ARG A 16 -6.445 -12.251 5.419 1.00 0.00 C ATOM 245 NH1 ARG A 16 -7.315 -11.245 5.346 1.00 0.00 N ATOM 246 NH2 ARG A 16 -6.890 -13.466 5.684 1.00 0.00 N ATOM 0 H ARG A 16 -1.810 -9.754 1.597 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.483 -10.147 0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.083 -8.863 3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.832 -8.844 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.687 -11.412 2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.009 -11.288 3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.536 -10.736 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.061 -9.988 5.084 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.544 -12.910 5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.986 -10.300 5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.310 -11.420 5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.236 -14.246 5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.888 -13.624 5.825 1.00 0.00 H new ATOM 260 N ALA A 17 -3.601 -6.938 0.922 1.00 0.00 N ATOM 261 CA ALA A 17 -4.052 -5.643 0.440 1.00 0.00 C ATOM 262 C ALA A 17 -4.228 -5.655 -1.081 1.00 0.00 C ATOM 263 O ALA A 17 -5.231 -5.139 -1.556 1.00 0.00 O ATOM 264 CB ALA A 17 -3.055 -4.553 0.844 1.00 0.00 C ATOM 0 H ALA A 17 -2.674 -6.936 1.348 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.019 -5.429 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.403 -3.587 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.972 -4.520 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.079 -4.774 0.412 1.00 0.00 H new ATOM 270 N LYS A 18 -3.303 -6.234 -1.860 1.00 0.00 N ATOM 271 CA LYS A 18 -3.474 -6.303 -3.312 1.00 0.00 C ATOM 272 C LYS A 18 -4.762 -7.039 -3.657 1.00 0.00 C ATOM 273 O LYS A 18 -5.548 -6.524 -4.446 1.00 0.00 O ATOM 274 CB LYS A 18 -2.271 -6.977 -3.993 1.00 0.00 C ATOM 275 CG LYS A 18 -1.009 -6.094 -4.011 1.00 0.00 C ATOM 276 CD LYS A 18 0.171 -6.760 -4.742 1.00 0.00 C ATOM 277 CE LYS A 18 -0.171 -6.979 -6.221 1.00 0.00 C ATOM 278 NZ LYS A 18 0.976 -7.457 -7.023 1.00 0.00 N ATOM 0 H LYS A 18 -2.441 -6.655 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.536 -5.282 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.046 -7.910 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.540 -7.236 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.241 -5.145 -4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.715 -5.867 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.060 -6.135 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.406 -7.715 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.984 -7.702 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.537 -6.043 -6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.679 -7.585 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.745 -6.758 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.312 -8.365 -6.642 1.00 0.00 H new ATOM 292 N ALA A 19 -5.008 -8.190 -3.033 1.00 0.00 N ATOM 293 CA ALA A 19 -6.217 -8.963 -3.261 1.00 0.00 C ATOM 294 C ALA A 19 -7.453 -8.143 -2.892 1.00 0.00 C ATOM 295 O ALA A 19 -8.461 -8.211 -3.591 1.00 0.00 O ATOM 296 CB ALA A 19 -6.159 -10.266 -2.462 1.00 0.00 C ATOM 0 H ALA A 19 -4.371 -8.609 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.288 -9.212 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.068 -10.841 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.294 -10.849 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.073 -10.038 -1.400 1.00 0.00 H new ATOM 302 N LEU A 20 -7.372 -7.332 -1.835 1.00 0.00 N ATOM 303 CA LEU A 20 -8.463 -6.479 -1.389 1.00 0.00 C ATOM 304 C LEU A 20 -8.782 -5.432 -2.454 1.00 0.00 C ATOM 305 O LEU A 20 -9.947 -5.232 -2.802 1.00 0.00 O ATOM 306 CB LEU A 20 -8.080 -5.796 -0.069 1.00 0.00 C ATOM 307 CG LEU A 20 -9.302 -5.169 0.615 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.030 -6.209 1.458 1.00 0.00 C ATOM 309 CD2 LEU A 20 -8.861 -3.998 1.492 1.00 0.00 C ATOM 0 H LEU A 20 -6.533 -7.252 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.351 -7.090 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.622 -6.525 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.333 -5.025 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.985 -4.804 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.894 -5.749 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.362 -7.028 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.355 -6.595 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.733 -3.557 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.166 -4.354 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.369 -3.246 0.875 1.00 0.00 H new ATOM 321 N LEU A 21 -7.750 -4.777 -2.993 1.00 0.00 N ATOM 322 CA LEU A 21 -7.902 -3.758 -4.023 1.00 0.00 C ATOM 323 C LEU A 21 -8.446 -4.388 -5.306 1.00 0.00 C ATOM 324 O LEU A 21 -9.316 -3.811 -5.961 1.00 0.00 O ATOM 325 CB LEU A 21 -6.547 -3.065 -4.265 1.00 0.00 C ATOM 326 CG LEU A 21 -6.002 -2.239 -3.080 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.650 -1.633 -3.467 1.00 0.00 C ATOM 328 CD2 LEU A 21 -6.932 -1.113 -2.621 1.00 0.00 C ATOM 0 H LEU A 21 -6.781 -4.944 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.617 -3.004 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.811 -3.826 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.644 -2.408 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.912 -2.932 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.261 -1.049 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.949 -2.432 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.776 -0.986 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.476 -0.582 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.098 -0.419 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.886 -1.535 -2.305 1.00 0.00 H new ATOM 340 N SER A 22 -8.000 -5.599 -5.644 1.00 0.00 N ATOM 341 CA SER A 22 -8.534 -6.366 -6.755 1.00 0.00 C ATOM 342 C SER A 22 -9.996 -6.734 -6.507 1.00 0.00 C ATOM 343 O SER A 22 -10.785 -6.715 -7.453 1.00 0.00 O ATOM 344 CB SER A 22 -7.684 -7.619 -6.987 1.00 0.00 C ATOM 345 OG SER A 22 -6.338 -7.269 -7.249 1.00 0.00 O ATOM 0 H SER A 22 -7.249 -6.074 -5.144 1.00 0.00 H new ATOM 0 HA SER A 22 -8.494 -5.751 -7.654 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.733 -8.265 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.087 -8.188 -7.825 1.00 0.00 H new ATOM 0 HG SER A 22 -5.905 -6.987 -6.416 1.00 0.00 H new ATOM 351 N SER A 23 -10.388 -7.012 -5.262 1.00 0.00 N ATOM 352 CA SER A 23 -11.766 -7.308 -4.895 1.00 0.00 C ATOM 353 C SER A 23 -12.627 -6.056 -5.076 1.00 0.00 C ATOM 354 O SER A 23 -13.773 -6.164 -5.508 1.00 0.00 O ATOM 355 CB SER A 23 -11.833 -7.842 -3.454 1.00 0.00 C ATOM 356 OG SER A 23 -12.980 -8.651 -3.242 1.00 0.00 O ATOM 0 H SER A 23 -9.744 -7.037 -4.472 1.00 0.00 H new ATOM 0 HA SER A 23 -12.159 -8.087 -5.549 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.935 -8.422 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.846 -7.004 -2.757 1.00 0.00 H new ATOM 0 HG SER A 23 -12.987 -8.973 -2.316 1.00 0.00 H new ATOM 362 N LYS A 24 -12.085 -4.861 -4.807 1.00 0.00 N ATOM 363 CA LYS A 24 -12.785 -3.610 -5.073 1.00 0.00 C ATOM 364 C LYS A 24 -12.686 -3.201 -6.545 1.00 0.00 C ATOM 365 O LYS A 24 -13.364 -2.260 -6.949 1.00 0.00 O ATOM 366 CB LYS A 24 -12.262 -2.516 -4.128 1.00 0.00 C ATOM 367 CG LYS A 24 -12.960 -2.484 -2.764 1.00 0.00 C ATOM 368 CD LYS A 24 -14.397 -1.964 -2.868 1.00 0.00 C ATOM 369 CE LYS A 24 -15.035 -1.898 -1.481 1.00 0.00 C ATOM 370 NZ LYS A 24 -16.406 -1.365 -1.568 1.00 0.00 N ATOM 0 H LYS A 24 -11.156 -4.741 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.847 -3.755 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.193 -2.664 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.384 -1.546 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.967 -3.487 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.394 -1.851 -2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.401 -0.975 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.982 -2.617 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.053 -2.892 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.434 -1.266 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.541 -0.634 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.558 -0.950 -2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.088 -2.135 -1.415 1.00 0.00 H new ATOM 384 N GLY A 25 -11.900 -3.903 -7.363 1.00 0.00 N ATOM 385 CA GLY A 25 -11.884 -3.716 -8.809 1.00 0.00 C ATOM 386 C GLY A 25 -11.194 -2.414 -9.195 1.00 0.00 C ATOM 387 O GLY A 25 -11.545 -1.796 -10.201 1.00 0.00 O ATOM 0 H GLY A 25 -11.254 -4.621 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.371 -4.555 -9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.906 -3.714 -9.188 1.00 0.00 H new ATOM 391 N VAL A 26 -10.249 -1.953 -8.381 1.00 0.00 N ATOM 392 CA VAL A 26 -9.686 -0.611 -8.512 1.00 0.00 C ATOM 393 C VAL A 26 -8.422 -0.595 -9.373 1.00 0.00 C ATOM 394 O VAL A 26 -7.820 -1.639 -9.656 1.00 0.00 O ATOM 395 CB VAL A 26 -9.413 -0.031 -7.109 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.639 -0.173 -6.202 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.192 -0.683 -6.446 1.00 0.00 C ATOM 0 H VAL A 26 -9.852 -2.496 -7.614 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.414 0.016 -9.026 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.197 1.029 -7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.416 0.245 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.481 0.363 -6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.894 -1.228 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.036 -0.245 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.362 -1.755 -6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.309 -0.513 -7.062 1.00 0.00 H new ATOM 407 N SER A 27 -8.000 0.605 -9.747 1.00 0.00 N ATOM 408 CA SER A 27 -6.719 0.902 -10.353 1.00 0.00 C ATOM 409 C SER A 27 -5.847 1.403 -9.204 1.00 0.00 C ATOM 410 O SER A 27 -6.272 2.249 -8.413 1.00 0.00 O ATOM 411 CB SER A 27 -6.869 1.937 -11.478 1.00 0.00 C ATOM 412 OG SER A 27 -7.911 2.867 -11.233 1.00 0.00 O ATOM 0 H SER A 27 -8.576 1.438 -9.627 1.00 0.00 H new ATOM 0 HA SER A 27 -6.270 0.032 -10.832 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.929 2.475 -11.598 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.063 1.420 -12.418 1.00 0.00 H new ATOM 0 HG SER A 27 -7.963 3.503 -11.976 1.00 0.00 H new ATOM 418 N PHE A 28 -4.649 0.850 -9.071 1.00 0.00 N ATOM 419 CA PHE A 28 -3.664 1.253 -8.084 1.00 0.00 C ATOM 420 C PHE A 28 -2.271 1.087 -8.703 1.00 0.00 C ATOM 421 O PHE A 28 -2.104 0.386 -9.709 1.00 0.00 O ATOM 422 CB PHE A 28 -3.850 0.419 -6.812 1.00 0.00 C ATOM 423 CG PHE A 28 -3.638 -1.081 -6.966 1.00 0.00 C ATOM 424 CD1 PHE A 28 -2.355 -1.644 -6.822 1.00 0.00 C ATOM 425 CD2 PHE A 28 -4.731 -1.924 -7.246 1.00 0.00 C ATOM 426 CE1 PHE A 28 -2.175 -3.033 -6.950 1.00 0.00 C ATOM 427 CE2 PHE A 28 -4.556 -3.314 -7.356 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.274 -3.871 -7.212 1.00 0.00 C ATOM 0 H PHE A 28 -4.329 0.086 -9.666 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.786 2.298 -7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.160 0.788 -6.054 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.858 0.587 -6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.508 -1.008 -6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.714 -1.497 -7.378 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.188 -3.458 -6.847 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.405 -3.953 -7.551 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.133 -4.938 -7.302 1.00 0.00 H new ATOM 438 N GLN A 29 -1.268 1.696 -8.089 1.00 0.00 N ATOM 439 CA GLN A 29 0.141 1.647 -8.446 1.00 0.00 C ATOM 440 C GLN A 29 0.827 0.740 -7.440 1.00 0.00 C ATOM 441 O GLN A 29 0.556 0.832 -6.248 1.00 0.00 O ATOM 442 CB GLN A 29 0.713 3.077 -8.452 1.00 0.00 C ATOM 443 CG GLN A 29 2.218 3.240 -8.181 1.00 0.00 C ATOM 444 CD GLN A 29 3.117 2.565 -9.215 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.697 1.687 -9.965 1.00 0.00 O ATOM 446 NE2 GLN A 29 4.372 2.955 -9.278 1.00 0.00 N ATOM 0 H GLN A 29 -1.430 2.280 -7.268 1.00 0.00 H new ATOM 0 HA GLN A 29 0.302 1.244 -9.446 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.496 3.522 -9.423 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.172 3.659 -7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.457 4.303 -8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.445 2.831 -7.196 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.711 3.685 -8.651 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.006 2.528 -9.954 1.00 0.00 H new ATOM 455 N GLU A 30 1.705 -0.134 -7.907 1.00 0.00 N ATOM 456 CA GLU A 30 2.441 -1.090 -7.086 1.00 0.00 C ATOM 457 C GLU A 30 3.938 -0.780 -7.166 1.00 0.00 C ATOM 458 O GLU A 30 4.429 -0.429 -8.236 1.00 0.00 O ATOM 459 CB GLU A 30 2.011 -2.514 -7.476 1.00 0.00 C ATOM 460 CG GLU A 30 2.387 -2.970 -8.901 1.00 0.00 C ATOM 461 CD GLU A 30 3.800 -3.542 -9.018 1.00 0.00 C ATOM 462 OE1 GLU A 30 4.269 -4.179 -8.050 1.00 0.00 O ATOM 463 OE2 GLU A 30 4.413 -3.463 -10.110 1.00 0.00 O ATOM 0 H GLU A 30 1.934 -0.202 -8.899 1.00 0.00 H new ATOM 0 HA GLU A 30 2.204 -1.006 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.452 -3.212 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.929 -2.588 -7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.672 -3.724 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.292 -2.122 -9.580 1.00 0.00 H new ATOM 470 N LEU A 31 4.667 -0.861 -6.049 1.00 0.00 N ATOM 471 CA LEU A 31 6.046 -0.383 -5.907 1.00 0.00 C ATOM 472 C LEU A 31 6.934 -1.467 -5.285 1.00 0.00 C ATOM 473 O LEU A 31 7.026 -1.570 -4.061 1.00 0.00 O ATOM 474 CB LEU A 31 6.052 0.897 -5.066 1.00 0.00 C ATOM 475 CG LEU A 31 5.509 2.104 -5.843 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.380 2.793 -5.090 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.630 3.105 -6.073 1.00 0.00 C ATOM 0 H LEU A 31 4.302 -1.274 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 31 6.456 -0.157 -6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.451 0.744 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.069 1.108 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 31 5.118 1.741 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.021 3.643 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.563 2.088 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.746 3.142 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.245 3.962 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.023 3.438 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.427 2.633 -6.647 1.00 0.00 H new ATOM 489 N PRO A 32 7.528 -2.363 -6.085 1.00 0.00 N ATOM 490 CA PRO A 32 8.329 -3.459 -5.561 1.00 0.00 C ATOM 491 C PRO A 32 9.597 -2.952 -4.865 1.00 0.00 C ATOM 492 O PRO A 32 10.268 -2.033 -5.353 1.00 0.00 O ATOM 493 CB PRO A 32 8.672 -4.346 -6.761 1.00 0.00 C ATOM 494 CG PRO A 32 7.716 -3.894 -7.861 1.00 0.00 C ATOM 495 CD PRO A 32 7.435 -2.434 -7.530 1.00 0.00 C ATOM 0 HA PRO A 32 7.778 -4.014 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.712 -4.219 -7.063 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.535 -5.401 -6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.165 -4.000 -8.848 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.801 -4.486 -7.862 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.159 -1.773 -8.007 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.448 -2.131 -7.879 1.00 0.00 H new ATOM 503 N ILE A 33 9.964 -3.606 -3.763 1.00 0.00 N ATOM 504 CA ILE A 33 11.228 -3.415 -3.060 1.00 0.00 C ATOM 505 C ILE A 33 12.043 -4.711 -2.970 1.00 0.00 C ATOM 506 O ILE A 33 13.045 -4.760 -2.260 1.00 0.00 O ATOM 507 CB ILE A 33 11.045 -2.714 -1.700 1.00 0.00 C ATOM 508 CG1 ILE A 33 10.324 -3.582 -0.647 1.00 0.00 C ATOM 509 CG2 ILE A 33 10.335 -1.364 -1.871 1.00 0.00 C ATOM 510 CD1 ILE A 33 10.763 -3.234 0.774 1.00 0.00 C ATOM 0 H ILE A 33 9.368 -4.306 -3.322 1.00 0.00 H new ATOM 0 HA ILE A 33 11.824 -2.730 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 33 12.050 -2.543 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.247 -3.444 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.528 -4.635 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.218 -0.889 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.929 -0.720 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.354 -1.523 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.232 -3.868 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.836 -3.397 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.535 -2.188 0.979 1.00 0.00 H new ATOM 522 N ASP A 34 11.636 -5.772 -3.661 1.00 0.00 N ATOM 523 CA ASP A 34 12.301 -7.058 -3.693 1.00 0.00 C ATOM 524 C ASP A 34 13.663 -6.916 -4.380 1.00 0.00 C ATOM 525 O ASP A 34 13.741 -6.654 -5.580 1.00 0.00 O ATOM 526 CB ASP A 34 11.368 -8.070 -4.375 1.00 0.00 C ATOM 527 CG ASP A 34 11.069 -7.818 -5.854 1.00 0.00 C ATOM 528 OD1 ASP A 34 10.704 -6.682 -6.226 1.00 0.00 O ATOM 529 OD2 ASP A 34 11.147 -8.775 -6.656 1.00 0.00 O ATOM 0 H ASP A 34 10.795 -5.751 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 34 12.506 -7.429 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.808 -9.062 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.423 -8.086 -3.832 1.00 0.00 H new ATOM 534 N GLY A 35 14.758 -6.982 -3.621 1.00 0.00 N ATOM 535 CA GLY A 35 16.111 -6.784 -4.143 1.00 0.00 C ATOM 536 C GLY A 35 16.477 -5.317 -4.410 1.00 0.00 C ATOM 537 O GLY A 35 17.643 -5.014 -4.677 1.00 0.00 O ATOM 0 H GLY A 35 14.731 -7.176 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.826 -7.201 -3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.216 -7.347 -5.070 1.00 0.00 H new ATOM 541 N ASN A 36 15.524 -4.393 -4.272 1.00 0.00 N ATOM 542 CA ASN A 36 15.727 -2.947 -4.398 1.00 0.00 C ATOM 543 C ASN A 36 16.243 -2.482 -3.029 1.00 0.00 C ATOM 544 O ASN A 36 16.094 -3.181 -2.023 1.00 0.00 O ATOM 545 CB ASN A 36 14.401 -2.318 -4.908 1.00 0.00 C ATOM 546 CG ASN A 36 14.015 -0.883 -4.508 1.00 0.00 C ATOM 547 OD1 ASN A 36 14.824 -0.011 -4.205 1.00 0.00 O ATOM 548 ND2 ASN A 36 12.725 -0.588 -4.484 1.00 0.00 N ATOM 0 H ASN A 36 14.556 -4.639 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 36 16.468 -2.632 -5.132 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.426 -2.353 -5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.590 -2.971 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.421 0.348 -4.218 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.035 -1.297 -4.732 1.00 0.00 H new ATOM 555 N ALA A 37 16.810 -1.287 -2.947 1.00 0.00 N ATOM 556 CA ALA A 37 17.556 -0.805 -1.803 1.00 0.00 C ATOM 557 C ALA A 37 17.702 0.712 -1.852 1.00 0.00 C ATOM 558 O ALA A 37 17.503 1.345 -0.812 1.00 0.00 O ATOM 559 CB ALA A 37 18.952 -1.423 -1.858 1.00 0.00 C ATOM 0 H ALA A 37 16.759 -0.605 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 37 17.029 -1.079 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.537 -1.076 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.871 -2.509 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.446 -1.125 -2.783 1.00 0.00 H new ATOM 565 N ALA A 38 17.938 1.298 -3.028 1.00 0.00 N ATOM 566 CA ALA A 38 17.981 2.741 -3.214 1.00 0.00 C ATOM 567 C ALA A 38 16.591 3.371 -3.057 1.00 0.00 C ATOM 568 O ALA A 38 16.456 4.406 -2.403 1.00 0.00 O ATOM 569 CB ALA A 38 18.567 3.061 -4.589 1.00 0.00 C ATOM 0 H ALA A 38 18.106 0.772 -3.886 1.00 0.00 H new ATOM 0 HA ALA A 38 18.619 3.170 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.599 4.142 -4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.577 2.656 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.944 2.614 -5.363 1.00 0.00 H new ATOM 575 N LYS A 39 15.536 2.766 -3.619 1.00 0.00 N ATOM 576 CA LYS A 39 14.172 3.252 -3.386 1.00 0.00 C ATOM 577 C LYS A 39 13.593 2.642 -2.111 1.00 0.00 C ATOM 578 O LYS A 39 12.720 3.229 -1.477 1.00 0.00 O ATOM 579 CB LYS A 39 13.305 3.054 -4.639 1.00 0.00 C ATOM 580 CG LYS A 39 12.186 4.108 -4.723 1.00 0.00 C ATOM 581 CD LYS A 39 11.522 4.116 -6.106 1.00 0.00 C ATOM 582 CE LYS A 39 10.555 2.940 -6.271 1.00 0.00 C ATOM 583 NZ LYS A 39 10.178 2.744 -7.681 1.00 0.00 N ATOM 0 H LYS A 39 15.599 1.951 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 39 14.189 4.328 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.931 3.115 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.866 2.056 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.435 3.905 -3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.598 5.095 -4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.984 5.053 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.289 4.069 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.018 2.031 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.660 3.118 -5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.523 1.940 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.714 3.603 -8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.030 2.550 -8.245 1.00 0.00 H new ATOM 597 N ARG A 40 14.116 1.502 -1.657 1.00 0.00 N ATOM 598 CA ARG A 40 13.773 0.950 -0.348 1.00 0.00 C ATOM 599 C ARG A 40 14.118 1.938 0.762 1.00 0.00 C ATOM 600 O ARG A 40 13.335 2.098 1.686 1.00 0.00 O ATOM 601 CB ARG A 40 14.526 -0.359 -0.141 1.00 0.00 C ATOM 602 CG ARG A 40 14.114 -1.135 1.110 1.00 0.00 C ATOM 603 CD ARG A 40 14.911 -2.444 1.146 1.00 0.00 C ATOM 604 NE ARG A 40 14.759 -3.140 2.428 1.00 0.00 N ATOM 605 CZ ARG A 40 15.474 -2.933 3.539 1.00 0.00 C ATOM 606 NH1 ARG A 40 16.430 -2.005 3.583 1.00 0.00 N ATOM 607 NH2 ARG A 40 15.217 -3.663 4.618 1.00 0.00 N ATOM 0 H ARG A 40 14.785 0.939 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 40 12.700 0.763 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.373 -0.994 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.593 -0.145 -0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.311 -0.545 2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.044 -1.342 1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.578 -3.095 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.966 -2.232 0.970 1.00 0.00 H new ATOM 0 HE ARG A 40 14.034 -3.855 2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.628 -1.437 2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.964 -1.863 4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.483 -4.370 4.592 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.754 -3.516 5.473 1.00 0.00 H new ATOM 621 N GLU A 41 15.283 2.580 0.708 1.00 0.00 N ATOM 622 CA GLU A 41 15.626 3.619 1.683 1.00 0.00 C ATOM 623 C GLU A 41 14.891 4.937 1.397 1.00 0.00 C ATOM 624 O GLU A 41 14.640 5.693 2.328 1.00 0.00 O ATOM 625 CB GLU A 41 17.147 3.741 1.845 1.00 0.00 C ATOM 626 CG GLU A 41 17.864 4.260 0.596 1.00 0.00 C ATOM 627 CD GLU A 41 19.337 3.866 0.478 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.901 3.172 1.359 1.00 0.00 O ATOM 629 OE2 GLU A 41 19.973 4.282 -0.514 1.00 0.00 O ATOM 0 H GLU A 41 16.002 2.403 0.006 1.00 0.00 H new ATOM 0 HA GLU A 41 15.259 3.318 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.361 4.409 2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.554 2.764 2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.335 3.895 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.793 5.348 0.582 1.00 0.00 H new ATOM 636 N GLU A 42 14.430 5.192 0.163 1.00 0.00 N ATOM 637 CA GLU A 42 13.517 6.312 -0.116 1.00 0.00 C ATOM 638 C GLU A 42 12.222 6.139 0.693 1.00 0.00 C ATOM 639 O GLU A 42 11.589 7.137 1.039 1.00 0.00 O ATOM 640 CB GLU A 42 13.243 6.436 -1.626 1.00 0.00 C ATOM 641 CG GLU A 42 12.339 7.591 -2.087 1.00 0.00 C ATOM 642 CD GLU A 42 12.947 8.989 -1.953 1.00 0.00 C ATOM 643 OE1 GLU A 42 13.969 9.286 -2.617 1.00 0.00 O ATOM 644 OE2 GLU A 42 12.358 9.865 -1.283 1.00 0.00 O ATOM 0 H GLU A 42 14.674 4.638 -0.658 1.00 0.00 H new ATOM 0 HA GLU A 42 13.988 7.245 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.202 6.534 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.796 5.502 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.072 7.427 -3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.414 7.558 -1.512 1.00 0.00 H new ATOM 651 N MET A 43 11.864 4.905 1.092 1.00 0.00 N ATOM 652 CA MET A 43 10.736 4.660 1.981 1.00 0.00 C ATOM 653 C MET A 43 10.833 5.460 3.276 1.00 0.00 C ATOM 654 O MET A 43 9.812 5.825 3.854 1.00 0.00 O ATOM 655 CB MET A 43 10.634 3.180 2.389 1.00 0.00 C ATOM 656 CG MET A 43 9.210 2.733 2.711 1.00 0.00 C ATOM 657 SD MET A 43 8.363 1.990 1.292 1.00 0.00 S ATOM 658 CE MET A 43 9.275 0.431 1.164 1.00 0.00 C ATOM 0 H MET A 43 12.353 4.058 0.803 1.00 0.00 H new ATOM 0 HA MET A 43 9.860 4.966 1.409 1.00 0.00 H new ATOM 0 HB2 MET A 43 11.027 2.561 1.582 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.266 3.007 3.260 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.237 2.013 3.529 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.636 3.591 3.061 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.725 -0.261 0.526 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.258 0.619 0.733 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.391 -0.005 2.156 1.00 0.00 H new ATOM 668 N ILE A 44 12.045 5.800 3.692 1.00 0.00 N ATOM 669 CA ILE A 44 12.307 6.481 4.951 1.00 0.00 C ATOM 670 C ILE A 44 11.880 7.933 4.783 1.00 0.00 C ATOM 671 O ILE A 44 11.231 8.493 5.664 1.00 0.00 O ATOM 672 CB ILE A 44 13.781 6.300 5.386 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.134 4.797 5.531 1.00 0.00 C ATOM 674 CG2 ILE A 44 14.018 7.017 6.725 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.632 4.502 5.634 1.00 0.00 C ATOM 0 H ILE A 44 12.889 5.606 3.153 1.00 0.00 H new ATOM 0 HA ILE A 44 11.729 6.048 5.767 1.00 0.00 H new ATOM 0 HB ILE A 44 14.422 6.733 4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.638 4.405 6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.729 4.258 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.057 6.887 7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.803 8.080 6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.362 6.593 7.486 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.785 3.427 5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.136 4.860 4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.043 5.009 6.507 1.00 0.00 H new ATOM 687 N LYS A 45 12.164 8.544 3.635 1.00 0.00 N ATOM 688 CA LYS A 45 11.741 9.893 3.341 1.00 0.00 C ATOM 689 C LYS A 45 10.267 9.963 2.948 1.00 0.00 C ATOM 690 O LYS A 45 9.611 10.970 3.212 1.00 0.00 O ATOM 691 CB LYS A 45 12.675 10.424 2.256 1.00 0.00 C ATOM 692 CG LYS A 45 12.517 11.934 2.106 1.00 0.00 C ATOM 693 CD LYS A 45 13.502 12.486 1.083 1.00 0.00 C ATOM 694 CE LYS A 45 14.950 12.447 1.591 1.00 0.00 C ATOM 695 NZ LYS A 45 15.890 12.881 0.543 1.00 0.00 N ATOM 0 H LYS A 45 12.698 8.106 2.884 1.00 0.00 H new ATOM 0 HA LYS A 45 11.811 10.521 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.708 10.184 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.456 9.934 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.498 12.168 1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.678 12.418 3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.427 11.909 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.232 13.514 0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.050 13.092 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.199 11.436 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.862 12.845 0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.809 12.250 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.664 13.855 0.256 1.00 0.00 H new ATOM 709 N ARG A 46 9.739 8.916 2.315 1.00 0.00 N ATOM 710 CA ARG A 46 8.360 8.804 1.871 1.00 0.00 C ATOM 711 C ARG A 46 7.393 8.542 3.019 1.00 0.00 C ATOM 712 O ARG A 46 6.272 9.042 2.980 1.00 0.00 O ATOM 713 CB ARG A 46 8.275 7.630 0.883 1.00 0.00 C ATOM 714 CG ARG A 46 8.637 7.965 -0.568 1.00 0.00 C ATOM 715 CD ARG A 46 7.484 8.645 -1.319 1.00 0.00 C ATOM 716 NE ARG A 46 7.845 8.854 -2.726 1.00 0.00 N ATOM 717 CZ ARG A 46 7.127 9.479 -3.665 1.00 0.00 C ATOM 718 NH1 ARG A 46 5.901 9.930 -3.430 1.00 0.00 N ATOM 719 NH2 ARG A 46 7.659 9.643 -4.865 1.00 0.00 N ATOM 0 H ARG A 46 10.290 8.088 2.090 1.00 0.00 H new ATOM 0 HA ARG A 46 8.074 9.751 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.936 6.836 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.260 7.232 0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.509 8.618 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.917 7.050 -1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.586 8.030 -1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.250 9.601 -0.851 1.00 0.00 H new ATOM 0 HE ARG A 46 8.747 8.480 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.479 9.804 -2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.381 10.403 -4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.598 9.296 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.130 10.117 -5.597 1.00 0.00 H new ATOM 733 N SER A 47 7.782 7.723 3.999 1.00 0.00 N ATOM 734 CA SER A 47 6.873 7.201 5.017 1.00 0.00 C ATOM 735 C SER A 47 7.400 7.297 6.453 1.00 0.00 C ATOM 736 O SER A 47 6.657 6.992 7.389 1.00 0.00 O ATOM 737 CB SER A 47 6.621 5.724 4.712 1.00 0.00 C ATOM 738 OG SER A 47 7.721 4.914 5.092 1.00 0.00 O ATOM 0 H SER A 47 8.744 7.402 4.107 1.00 0.00 H new ATOM 0 HA SER A 47 5.973 7.814 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.726 5.392 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.429 5.600 3.646 1.00 0.00 H new ATOM 0 HG SER A 47 8.502 5.146 4.547 1.00 0.00 H new ATOM 744 N GLY A 48 8.688 7.594 6.637 1.00 0.00 N ATOM 745 CA GLY A 48 9.378 7.487 7.917 1.00 0.00 C ATOM 746 C GLY A 48 9.911 6.075 8.193 1.00 0.00 C ATOM 747 O GLY A 48 10.642 5.897 9.171 1.00 0.00 O ATOM 0 H GLY A 48 9.290 7.922 5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.208 8.193 7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.696 7.775 8.717 1.00 0.00 H new ATOM 751 N ARG A 49 9.571 5.065 7.378 1.00 0.00 N ATOM 752 CA ARG A 49 9.801 3.645 7.627 1.00 0.00 C ATOM 753 C ARG A 49 10.525 2.981 6.447 1.00 0.00 C ATOM 754 O ARG A 49 11.182 3.652 5.665 1.00 0.00 O ATOM 755 CB ARG A 49 8.462 2.984 7.981 1.00 0.00 C ATOM 756 CG ARG A 49 7.627 3.732 9.037 1.00 0.00 C ATOM 757 CD ARG A 49 6.346 2.973 9.392 1.00 0.00 C ATOM 758 NE ARG A 49 6.547 1.985 10.468 1.00 0.00 N ATOM 759 CZ ARG A 49 5.820 1.879 11.587 1.00 0.00 C ATOM 760 NH1 ARG A 49 4.867 2.754 11.885 1.00 0.00 N ATOM 761 NH2 ARG A 49 6.061 0.880 12.424 1.00 0.00 N ATOM 0 H ARG A 49 9.106 5.231 6.486 1.00 0.00 H new ATOM 0 HA ARG A 49 10.471 3.514 8.477 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.869 2.889 7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.657 1.974 8.342 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.225 3.877 9.937 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.370 4.723 8.662 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.580 3.685 9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.972 2.465 8.503 1.00 0.00 H new ATOM 0 HE ARG A 49 7.311 1.320 10.348 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.673 3.532 11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.329 2.649 12.745 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.794 0.203 12.212 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.514 0.789 13.280 1.00 0.00 H new ATOM 775 N THR A 50 10.492 1.655 6.338 1.00 0.00 N ATOM 776 CA THR A 50 11.256 0.817 5.424 1.00 0.00 C ATOM 777 C THR A 50 10.519 -0.517 5.193 1.00 0.00 C ATOM 778 O THR A 50 10.724 -1.177 4.172 1.00 0.00 O ATOM 779 CB THR A 50 12.652 0.564 6.031 1.00 0.00 C ATOM 780 OG1 THR A 50 13.174 1.701 6.695 1.00 0.00 O ATOM 781 CG2 THR A 50 13.650 0.161 4.953 1.00 0.00 C ATOM 0 H THR A 50 9.881 1.097 6.935 1.00 0.00 H new ATOM 0 HA THR A 50 11.364 1.318 4.462 1.00 0.00 H new ATOM 0 HB THR A 50 12.516 -0.240 6.755 1.00 0.00 H new ATOM 0 HG1 THR A 50 14.057 1.488 7.062 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.626 -0.012 5.407 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.310 -0.753 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.729 0.958 4.214 1.00 0.00 H new ATOM 789 N THR A 51 9.662 -0.923 6.135 1.00 0.00 N ATOM 790 CA THR A 51 8.842 -2.120 6.082 1.00 0.00 C ATOM 791 C THR A 51 7.681 -1.941 5.106 1.00 0.00 C ATOM 792 O THR A 51 7.323 -0.813 4.768 1.00 0.00 O ATOM 793 CB THR A 51 8.334 -2.385 7.511 1.00 0.00 C ATOM 794 OG1 THR A 51 7.851 -1.189 8.116 1.00 0.00 O ATOM 795 CG2 THR A 51 9.471 -2.902 8.391 1.00 0.00 C ATOM 0 H THR A 51 9.520 -0.393 6.995 1.00 0.00 H new ATOM 0 HA THR A 51 9.422 -2.970 5.722 1.00 0.00 H new ATOM 0 HB THR A 51 7.532 -3.119 7.432 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.533 -1.386 9.022 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.097 -3.085 9.398 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.860 -3.831 7.974 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.268 -2.159 8.429 1.00 0.00 H new ATOM 803 N VAL A 52 7.066 -3.052 4.699 1.00 0.00 N ATOM 804 CA VAL A 52 5.947 -3.095 3.763 1.00 0.00 C ATOM 805 C VAL A 52 4.928 -4.143 4.243 1.00 0.00 C ATOM 806 O VAL A 52 5.307 -5.002 5.046 1.00 0.00 O ATOM 807 CB VAL A 52 6.464 -3.388 2.338 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.935 -2.107 1.655 1.00 0.00 C ATOM 809 CG2 VAL A 52 7.575 -4.426 2.251 1.00 0.00 C ATOM 0 H VAL A 52 7.345 -3.978 5.025 1.00 0.00 H new ATOM 0 HA VAL A 52 5.443 -2.129 3.728 1.00 0.00 H new ATOM 0 HB VAL A 52 5.602 -3.814 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.294 -2.340 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.105 -1.404 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.743 -1.661 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.867 -4.559 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.435 -4.088 2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.219 -5.375 2.652 1.00 0.00 H new ATOM 819 N PRO A 53 3.664 -4.125 3.775 1.00 0.00 N ATOM 820 CA PRO A 53 3.132 -3.203 2.780 1.00 0.00 C ATOM 821 C PRO A 53 3.078 -1.777 3.294 1.00 0.00 C ATOM 822 O PRO A 53 2.972 -1.546 4.497 1.00 0.00 O ATOM 823 CB PRO A 53 1.726 -3.695 2.445 1.00 0.00 C ATOM 824 CG PRO A 53 1.305 -4.420 3.717 1.00 0.00 C ATOM 825 CD PRO A 53 2.610 -5.004 4.253 1.00 0.00 C ATOM 0 HA PRO A 53 3.779 -3.187 1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.055 -2.869 2.210 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.726 -4.361 1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.848 -3.738 4.434 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.573 -5.201 3.509 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.601 -5.047 5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.758 -6.023 3.895 1.00 0.00 H new ATOM 833 N GLN A 54 3.139 -0.835 2.359 1.00 0.00 N ATOM 834 CA GLN A 54 2.862 0.555 2.635 1.00 0.00 C ATOM 835 C GLN A 54 1.893 0.995 1.578 1.00 0.00 C ATOM 836 O GLN A 54 2.298 1.166 0.430 1.00 0.00 O ATOM 837 CB GLN A 54 4.082 1.462 2.585 1.00 0.00 C ATOM 838 CG GLN A 54 5.192 1.064 3.543 1.00 0.00 C ATOM 839 CD GLN A 54 5.936 2.315 3.959 1.00 0.00 C ATOM 840 OE1 GLN A 54 6.111 3.243 3.182 1.00 0.00 O ATOM 841 NE2 GLN A 54 6.278 2.432 5.223 1.00 0.00 N ATOM 0 H GLN A 54 3.384 -1.023 1.387 1.00 0.00 H new ATOM 0 HA GLN A 54 2.481 0.635 3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.477 1.465 1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.772 2.483 2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.777 0.562 4.417 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.872 0.360 3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.129 1.654 5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.692 3.301 5.561 1.00 0.00 H new ATOM 850 N ILE A 55 0.624 1.113 1.938 1.00 0.00 N ATOM 851 CA ILE A 55 -0.314 1.759 1.050 1.00 0.00 C ATOM 852 C ILE A 55 -0.184 3.260 1.331 1.00 0.00 C ATOM 853 O ILE A 55 0.069 3.682 2.467 1.00 0.00 O ATOM 854 CB ILE A 55 -1.756 1.219 1.186 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.879 -0.299 1.455 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.488 1.472 -0.145 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.571 -0.735 2.886 1.00 0.00 C ATOM 0 H ILE A 55 0.232 0.777 2.818 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.080 1.544 0.007 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.175 1.737 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.892 -0.614 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.206 -0.827 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.510 1.099 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.506 2.542 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.967 0.954 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.686 -1.816 2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.547 -0.458 3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.260 -0.243 3.573 1.00 0.00 H new ATOM 869 N PHE A 56 -0.368 4.062 0.297 1.00 0.00 N ATOM 870 CA PHE A 56 -0.523 5.496 0.304 1.00 0.00 C ATOM 871 C PHE A 56 -1.833 5.719 -0.450 1.00 0.00 C ATOM 872 O PHE A 56 -1.903 5.273 -1.592 1.00 0.00 O ATOM 873 CB PHE A 56 0.648 6.154 -0.439 1.00 0.00 C ATOM 874 CG PHE A 56 1.951 6.304 0.327 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.780 5.189 0.568 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.384 7.584 0.725 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.992 5.341 1.268 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.604 7.736 1.405 1.00 0.00 C ATOM 879 CZ PHE A 56 4.382 6.613 1.729 1.00 0.00 C ATOM 0 H PHE A 56 -0.416 3.687 -0.650 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.536 5.924 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.849 5.572 -1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.330 7.145 -0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.483 4.213 0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.777 8.450 0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.622 4.483 1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.946 8.723 1.680 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.274 6.724 2.328 1.00 0.00 H new ATOM 889 N ILE A 57 -2.872 6.315 0.147 1.00 0.00 N ATOM 890 CA ILE A 57 -4.169 6.544 -0.506 1.00 0.00 C ATOM 891 C ILE A 57 -4.481 8.032 -0.398 1.00 0.00 C ATOM 892 O ILE A 57 -4.393 8.609 0.692 1.00 0.00 O ATOM 893 CB ILE A 57 -5.262 5.639 0.100 1.00 0.00 C ATOM 894 CG1 ILE A 57 -5.085 4.190 -0.397 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.682 6.098 -0.290 1.00 0.00 C ATOM 896 CD1 ILE A 57 -5.645 3.140 0.561 1.00 0.00 C ATOM 0 H ILE A 57 -2.837 6.656 1.108 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.133 6.272 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.153 5.701 1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.575 4.085 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.024 3.996 -0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.417 5.430 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.847 7.114 0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.787 6.075 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.484 2.145 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.138 3.217 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.713 3.307 0.700 1.00 0.00 H new ATOM 908 N ASP A 58 -4.826 8.660 -1.524 1.00 0.00 N ATOM 909 CA ASP A 58 -4.947 10.101 -1.715 1.00 0.00 C ATOM 910 C ASP A 58 -3.703 10.817 -1.150 1.00 0.00 C ATOM 911 O ASP A 58 -3.766 11.945 -0.654 1.00 0.00 O ATOM 912 CB ASP A 58 -6.329 10.582 -1.228 1.00 0.00 C ATOM 913 CG ASP A 58 -7.314 10.892 -2.368 1.00 0.00 C ATOM 914 OD1 ASP A 58 -7.313 10.189 -3.410 1.00 0.00 O ATOM 915 OD2 ASP A 58 -8.151 11.807 -2.215 1.00 0.00 O ATOM 0 H ASP A 58 -5.041 8.142 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.938 10.376 -2.770 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.763 9.818 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.199 11.477 -0.619 1.00 0.00 H new ATOM 920 N ALA A 59 -2.557 10.126 -1.249 1.00 0.00 N ATOM 921 CA ALA A 59 -1.203 10.446 -0.810 1.00 0.00 C ATOM 922 C ALA A 59 -0.973 10.439 0.713 1.00 0.00 C ATOM 923 O ALA A 59 0.148 10.711 1.145 1.00 0.00 O ATOM 924 CB ALA A 59 -0.674 11.690 -1.536 1.00 0.00 C ATOM 0 H ALA A 59 -2.568 9.211 -1.699 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.581 9.605 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.337 11.909 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.660 11.506 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.322 12.540 -1.322 1.00 0.00 H new ATOM 930 N GLN A 60 -1.955 10.061 1.539 1.00 0.00 N ATOM 931 CA GLN A 60 -1.726 9.807 2.966 1.00 0.00 C ATOM 932 C GLN A 60 -0.982 8.473 3.077 1.00 0.00 C ATOM 933 O GLN A 60 -1.504 7.474 2.582 1.00 0.00 O ATOM 934 CB GLN A 60 -3.063 9.653 3.730 1.00 0.00 C ATOM 935 CG GLN A 60 -3.726 10.934 4.254 1.00 0.00 C ATOM 936 CD GLN A 60 -4.034 11.983 3.192 1.00 0.00 C ATOM 937 OE1 GLN A 60 -3.569 13.120 3.285 1.00 0.00 O ATOM 938 NE2 GLN A 60 -4.803 11.644 2.171 1.00 0.00 N ATOM 0 H GLN A 60 -2.921 9.924 1.242 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.167 10.641 3.391 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.772 9.151 3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.892 8.990 4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.655 10.664 4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.075 11.380 5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.180 10.698 2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.019 12.328 1.446 1.00 0.00 H new ATOM 947 N HIS A 61 0.199 8.411 3.710 1.00 0.00 N ATOM 948 CA HIS A 61 0.831 7.133 4.057 1.00 0.00 C ATOM 949 C HIS A 61 -0.066 6.446 5.076 1.00 0.00 C ATOM 950 O HIS A 61 -0.207 6.929 6.198 1.00 0.00 O ATOM 951 CB HIS A 61 2.229 7.311 4.666 1.00 0.00 C ATOM 952 CG HIS A 61 2.785 6.054 5.314 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.301 6.002 6.597 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.781 4.775 4.805 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.614 4.720 6.860 1.00 0.00 C ATOM 956 NE2 HIS A 61 3.332 3.957 5.785 1.00 0.00 N ATOM 0 H HIS A 61 0.734 9.232 3.991 1.00 0.00 H new ATOM 0 HA HIS A 61 0.951 6.546 3.147 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.915 7.639 3.885 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.191 8.105 5.411 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.420 4.467 3.835 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.028 4.358 7.790 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.495 2.953 5.704 1.00 0.00 H new ATOM 965 N ILE A 62 -0.654 5.322 4.698 1.00 0.00 N ATOM 966 CA ILE A 62 -1.600 4.587 5.509 1.00 0.00 C ATOM 967 C ILE A 62 -0.852 3.777 6.554 1.00 0.00 C ATOM 968 O ILE A 62 -0.962 4.031 7.755 1.00 0.00 O ATOM 969 CB ILE A 62 -2.442 3.717 4.551 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.086 4.581 3.449 1.00 0.00 C ATOM 971 CG2 ILE A 62 -3.482 2.879 5.295 1.00 0.00 C ATOM 972 CD1 ILE A 62 -3.809 5.819 3.981 1.00 0.00 C ATOM 0 H ILE A 62 -0.478 4.887 3.792 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.272 5.245 6.060 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.765 3.011 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.313 4.896 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.794 3.971 2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.049 2.284 4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.979 2.217 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.160 3.538 5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.236 6.377 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.606 5.512 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.101 6.452 4.516 1.00 0.00 H new ATOM 984 N GLY A 63 -0.063 2.813 6.096 1.00 0.00 N ATOM 985 CA GLY A 63 0.536 1.798 6.930 1.00 0.00 C ATOM 986 C GLY A 63 0.323 0.478 6.218 1.00 0.00 C ATOM 987 O GLY A 63 0.506 0.423 4.999 1.00 0.00 O ATOM 0 H GLY A 63 0.179 2.720 5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.598 1.993 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.075 1.785 7.918 1.00 0.00 H new ATOM 991 N GLY A 64 -0.057 -0.555 6.965 1.00 0.00 N ATOM 992 CA GLY A 64 -0.075 -1.923 6.471 1.00 0.00 C ATOM 993 C GLY A 64 -1.416 -2.304 5.862 1.00 0.00 C ATOM 994 O GLY A 64 -2.327 -1.478 5.779 1.00 0.00 O ATOM 0 H GLY A 64 -0.362 -0.463 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.708 -2.046 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.156 -2.605 7.290 1.00 0.00 H new ATOM 998 N TYR A 65 -1.548 -3.574 5.458 1.00 0.00 N ATOM 999 CA TYR A 65 -2.803 -4.099 4.932 1.00 0.00 C ATOM 1000 C TYR A 65 -3.926 -3.795 5.900 1.00 0.00 C ATOM 1001 O TYR A 65 -4.942 -3.280 5.469 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.754 -5.608 4.620 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.085 -6.330 4.761 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.101 -6.125 3.811 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.336 -7.146 5.882 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.332 -6.793 3.921 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.581 -7.780 6.028 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.569 -7.631 5.031 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.727 -8.330 5.131 1.00 0.00 O ATOM 0 H TYR A 65 -0.791 -4.257 5.488 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.982 -3.600 3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.389 -5.743 3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.029 -6.079 5.284 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.933 -5.447 2.988 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.570 -7.284 6.630 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.090 -6.666 3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.782 -8.381 6.902 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.369 -7.824 5.673 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.748 -4.102 7.180 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.815 -4.055 8.171 1.00 0.00 C ATOM 1021 C ASP A 66 -5.270 -2.603 8.410 1.00 0.00 C ATOM 1022 O ASP A 66 -6.429 -2.371 8.750 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.299 -4.737 9.441 1.00 0.00 C ATOM 1024 CG ASP A 66 -5.167 -4.491 10.666 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.335 -4.938 10.655 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.627 -3.989 11.678 1.00 0.00 O ATOM 0 H ASP A 66 -2.848 -4.394 7.562 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.700 -4.587 7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.232 -5.810 9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.288 -4.384 9.647 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.391 -1.624 8.156 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.700 -0.191 8.222 1.00 0.00 C ATOM 1033 C ASP A 67 -5.605 0.216 7.052 1.00 0.00 C ATOM 1034 O ASP A 67 -6.658 0.819 7.260 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.412 0.654 8.210 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.637 0.613 9.518 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -3.190 1.054 10.555 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.471 0.146 9.514 1.00 0.00 O ATOM 0 H ASP A 67 -3.424 -1.812 7.893 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.225 -0.004 9.159 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.766 0.303 7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.670 1.689 7.984 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.213 -0.124 5.819 1.00 0.00 N ATOM 1044 CA LEU A 68 -5.991 0.111 4.595 1.00 0.00 C ATOM 1045 C LEU A 68 -7.307 -0.638 4.665 1.00 0.00 C ATOM 1046 O LEU A 68 -8.372 -0.067 4.474 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.133 -0.332 3.395 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.771 -0.503 1.993 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -5.947 -1.986 1.655 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -7.069 0.251 1.699 1.00 0.00 C ATOM 0 H LEU A 68 -4.320 -0.583 5.639 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.236 1.167 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.323 0.391 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.677 -1.286 3.660 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.041 -0.020 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.396 -2.083 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.975 -2.479 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.595 -2.454 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.394 0.033 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.840 -0.065 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.899 1.323 1.804 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.239 -1.920 4.968 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.373 -2.785 5.173 1.00 0.00 C ATOM 1064 C TYR A 69 -9.359 -2.183 6.163 1.00 0.00 C ATOM 1065 O TYR A 69 -10.559 -2.269 5.934 1.00 0.00 O ATOM 1066 CB TYR A 69 -7.853 -4.131 5.666 1.00 0.00 C ATOM 1067 CG TYR A 69 -8.889 -5.212 5.813 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -9.747 -5.498 4.742 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -8.951 -5.981 6.985 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -10.659 -6.554 4.819 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -9.878 -7.029 7.079 1.00 0.00 C ATOM 1072 CZ TYR A 69 -10.754 -7.307 6.007 1.00 0.00 C ATOM 1073 OH TYR A 69 -11.647 -8.326 6.095 1.00 0.00 O ATOM 0 H TYR A 69 -6.348 -2.404 5.082 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.914 -2.913 4.235 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.085 -4.479 4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.369 -3.982 6.631 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.703 -4.895 3.847 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.288 -5.767 7.810 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.287 -6.792 3.973 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.922 -7.627 7.977 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.583 -8.742 6.980 1.00 0.00 H new ATOM 1083 N ALA A 70 -8.889 -1.531 7.231 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.789 -0.842 8.135 1.00 0.00 C ATOM 1085 C ALA A 70 -10.501 0.326 7.446 1.00 0.00 C ATOM 1086 O ALA A 70 -11.703 0.482 7.671 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.058 -0.387 9.394 1.00 0.00 C ATOM 0 H ALA A 70 -7.902 -1.471 7.481 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.559 -1.552 8.436 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.756 0.127 10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.644 -1.254 9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.251 0.292 9.121 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.800 1.152 6.655 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.389 2.223 5.866 1.00 0.00 C ATOM 1095 C LEU A 71 -11.461 1.633 4.937 1.00 0.00 C ATOM 1096 O LEU A 71 -12.585 2.125 4.872 1.00 0.00 O ATOM 1097 CB LEU A 71 -9.303 2.985 5.088 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.928 4.078 4.186 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -10.319 5.301 5.023 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -9.056 4.516 3.008 1.00 0.00 C ATOM 0 H LEU A 71 -8.788 1.085 6.550 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.868 2.947 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.603 3.442 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.732 2.287 4.476 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.810 3.613 3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.757 6.060 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.046 5.007 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.432 5.707 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.577 5.283 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.115 4.919 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.854 3.658 2.366 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.112 0.590 4.188 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.015 -0.112 3.280 1.00 0.00 C ATOM 1114 C ASP A 72 -13.237 -0.622 4.034 1.00 0.00 C ATOM 1115 O ASP A 72 -14.369 -0.433 3.588 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.250 -1.245 2.577 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.139 -2.153 1.719 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -12.781 -3.069 2.286 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -12.149 -1.981 0.482 1.00 0.00 O ATOM 0 H ASP A 72 -10.170 0.200 4.196 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.379 0.574 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.475 -0.810 1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.746 -1.852 3.329 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.026 -1.178 5.224 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.070 -1.770 6.046 1.00 0.00 C ATOM 1126 C ALA A 73 -14.994 -0.722 6.665 1.00 0.00 C ATOM 1127 O ALA A 73 -16.139 -1.049 6.983 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.439 -2.632 7.136 1.00 0.00 C ATOM 0 H ALA A 73 -12.101 -1.229 5.651 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.688 -2.389 5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.224 -3.074 7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.848 -3.424 6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.794 -2.014 7.761 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.537 0.527 6.807 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.375 1.675 7.168 1.00 0.00 C ATOM 1136 C ARG A 74 -15.984 2.354 5.944 1.00 0.00 C ATOM 1137 O ARG A 74 -16.637 3.383 6.101 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.647 2.635 8.137 1.00 0.00 C ATOM 1139 CG ARG A 74 -13.531 3.507 7.564 1.00 0.00 C ATOM 1140 CD ARG A 74 -12.761 4.266 8.655 1.00 0.00 C ATOM 1141 NE ARG A 74 -13.578 5.299 9.309 1.00 0.00 N ATOM 1142 CZ ARG A 74 -13.462 5.748 10.565 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -12.592 5.219 11.421 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -14.239 6.744 10.969 1.00 0.00 N ATOM 0 H ARG A 74 -13.556 0.772 6.672 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.231 1.299 7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.393 3.294 8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.226 2.039 8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.837 2.882 7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.957 4.222 6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.408 3.558 9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.878 4.730 8.215 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.315 5.720 8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.990 4.450 11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.527 5.583 12.372 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.914 7.158 10.326 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.162 7.096 11.923 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.781 1.808 4.744 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.277 2.384 3.502 1.00 0.00 C ATOM 1160 C GLY A 75 -15.494 3.623 3.088 1.00 0.00 C ATOM 1161 O GLY A 75 -15.851 4.275 2.114 1.00 0.00 O ATOM 0 H GLY A 75 -15.260 0.941 4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.219 1.638 2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.329 2.644 3.619 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.405 3.950 3.786 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.657 5.175 3.576 1.00 0.00 C ATOM 1167 C GLY A 76 -12.779 5.104 2.329 1.00 0.00 C ATOM 1168 O GLY A 76 -12.321 6.139 1.850 1.00 0.00 O ATOM 0 H GLY A 76 -14.019 3.358 4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.350 6.011 3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.033 5.372 4.448 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.522 3.899 1.810 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.726 3.696 0.605 1.00 0.00 C ATOM 1174 C LEU A 77 -12.545 4.003 -0.637 1.00 0.00 C ATOM 1175 O LEU A 77 -12.023 4.573 -1.591 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.247 2.240 0.542 1.00 0.00 C ATOM 1177 CG LEU A 77 -10.300 1.977 -0.645 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.972 2.721 -0.474 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -10.028 0.482 -0.753 1.00 0.00 C ATOM 0 H LEU A 77 -12.866 3.032 2.222 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.870 4.370 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.736 1.989 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.111 1.580 0.465 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.782 2.341 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.327 2.514 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.161 3.793 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.482 2.386 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.358 0.294 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.564 0.129 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.967 -0.048 -0.912 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.814 3.600 -0.617 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.724 3.624 -1.758 1.00 0.00 C ATOM 1193 C ASP A 78 -14.720 5.018 -2.401 1.00 0.00 C ATOM 1194 O ASP A 78 -14.342 5.119 -3.566 1.00 0.00 O ATOM 1195 CB ASP A 78 -16.148 3.233 -1.312 1.00 0.00 C ATOM 1196 CG ASP A 78 -16.553 1.809 -1.676 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -16.143 1.253 -2.717 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -17.271 1.187 -0.862 1.00 0.00 O ATOM 0 H ASP A 78 -14.253 3.234 0.228 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.386 2.899 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -16.223 3.354 -0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.859 3.926 -1.761 1.00 0.00 H new ATOM 1203 N PRO A 79 -15.009 6.123 -1.682 1.00 0.00 N ATOM 1204 CA PRO A 79 -15.059 7.455 -2.277 1.00 0.00 C ATOM 1205 C PRO A 79 -13.677 8.008 -2.659 1.00 0.00 C ATOM 1206 O PRO A 79 -13.612 9.116 -3.201 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.764 8.330 -1.236 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.355 7.685 0.081 1.00 0.00 C ATOM 1209 CD PRO A 79 -15.362 6.206 -0.271 1.00 0.00 C ATOM 0 HA PRO A 79 -15.595 7.434 -3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.440 9.369 -1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.846 8.325 -1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.372 8.021 0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.056 7.916 0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.648 5.656 0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.343 5.767 -0.088 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.580 7.280 -2.420 1.00 0.00 N ATOM 1218 CA LEU A 80 -11.222 7.653 -2.792 1.00 0.00 C ATOM 1219 C LEU A 80 -10.687 6.812 -3.962 1.00 0.00 C ATOM 1220 O LEU A 80 -9.639 7.174 -4.507 1.00 0.00 O ATOM 1221 CB LEU A 80 -10.298 7.521 -1.569 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.701 8.358 -0.337 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.666 8.170 0.778 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -10.822 9.855 -0.644 1.00 0.00 C ATOM 0 H LEU A 80 -12.622 6.380 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.241 8.689 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.259 6.472 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.289 7.806 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.683 8.001 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.955 8.763 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.619 7.117 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.688 8.496 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.108 10.390 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.864 10.232 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.581 10.009 -1.411 1.00 0.00 H new ATOM 1236 N LEU A 81 -11.382 5.742 -4.372 1.00 0.00 N ATOM 1237 CA LEU A 81 -11.007 4.825 -5.462 1.00 0.00 C ATOM 1238 C LEU A 81 -12.175 4.533 -6.417 1.00 0.00 C ATOM 1239 O LEU A 81 -12.064 3.672 -7.295 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.466 3.504 -4.870 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.944 3.483 -4.674 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.511 2.162 -4.028 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -8.195 3.630 -6.010 1.00 0.00 C ATOM 0 H LEU A 81 -12.264 5.478 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.231 5.318 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.948 3.325 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.749 2.681 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.695 4.326 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.429 2.160 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.997 2.055 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.799 1.331 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.120 3.610 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.466 2.807 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.467 4.576 -6.477 1.00 0.00 H new ATOM 1255 N LYS A 82 -13.296 5.233 -6.245 1.00 0.00 N ATOM 1256 CA LYS A 82 -14.559 4.934 -6.899 1.00 0.00 C ATOM 1257 C LYS A 82 -14.381 5.105 -8.392 1.00 0.00 C ATOM 1258 O LYS A 82 -14.807 4.191 -9.127 1.00 0.00 O ATOM 1259 CB LYS A 82 -15.652 5.873 -6.354 1.00 0.00 C ATOM 1260 CG LYS A 82 -16.886 5.178 -5.758 1.00 0.00 C ATOM 1261 CD LYS A 82 -17.815 4.497 -6.769 1.00 0.00 C ATOM 1262 CE LYS A 82 -17.336 3.095 -7.154 1.00 0.00 C ATOM 1263 NZ LYS A 82 -18.383 2.336 -7.864 1.00 0.00 N ATOM 1264 OXT LYS A 82 -13.852 6.157 -8.822 1.00 0.00 O ATOM 0 H LYS A 82 -13.347 6.045 -5.629 1.00 0.00 H new ATOM 0 HA LYS A 82 -14.865 3.908 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.210 6.510 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.980 6.527 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.548 4.430 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -17.463 5.916 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -18.819 4.432 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.884 5.113 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.452 3.174 -7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.039 2.553 -6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.022 1.392 -8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -19.218 2.239 -7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -18.648 2.841 -8.734 1.00 0.00 H new TER 1278 LYS A 82