USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 591 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 39 HIS : no HE2:sc= -0.266 X(o=-0.38,f=-0.39) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.115 K(o=-0.38,f=-1.4) USER MOD Set 2.1: A 13 GLN : amide:sc= 0.465 K(o=-1.7,f=-10!) USER MOD Set 2.2: A 16 ASN : amide:sc= -2.12 K(o=-1.7,f=-9.1!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -125:sc= 2.01 USER MOD Single : A 14 LYS NZ :NH3+ -128:sc= -0.0853 (180deg=-1.17) USER MOD Single : A 15 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.1) USER MOD Single : A 20 SER OG : rot -34:sc= 0.498 USER MOD Single : A 21 THR OG1 : rot 18:sc= 0.729 USER MOD Single : A 26 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.26) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= 1.08 (180deg=0.753) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0135 USER MOD Single : A 33 THR OG1 : rot -160:sc= -0.339 USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00918) USER MOD Single : A 49 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.18) USER MOD Single : A 55 THR OG1 : rot 19:sc= 1.59 USER MOD Single : A 57 ASN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0785 USER MOD Single : A 71 SER OG : rot 57:sc= 0.648 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -1.548 -6.811 -14.048 1.00 10.00 N ATOM 30 CA LYS A 5 -2.205 -8.013 -13.571 1.00 10.00 C ATOM 31 C LYS A 5 -3.177 -7.548 -12.493 1.00 10.00 C ATOM 32 O LYS A 5 -2.807 -6.714 -11.671 1.00 10.00 O ATOM 33 CB LYS A 5 -1.171 -9.016 -13.026 1.00 10.00 C ATOM 34 CG LYS A 5 -1.328 -10.380 -13.708 1.00 10.00 C ATOM 35 CD LYS A 5 -0.262 -11.361 -13.206 1.00 10.00 C ATOM 36 CE LYS A 5 -0.347 -12.681 -13.988 1.00 10.00 C ATOM 37 NZ LYS A 5 0.665 -13.663 -13.543 1.00 10.00 N ATOM 0 HA LYS A 5 -2.734 -8.537 -14.367 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.164 -8.634 -13.193 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -1.296 -9.126 -11.949 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.322 -10.781 -13.507 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -1.243 -10.264 -14.789 1.00 10.00 H new ATOM 0 HD2 LYS A 5 0.729 -10.924 -13.323 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.403 -11.550 -12.142 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.342 -13.109 -13.868 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -0.213 -12.480 -15.051 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 0.569 -14.537 -14.099 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 1.617 -13.268 -13.682 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 0.522 -13.876 -12.535 1.00 10.00 H new ATOM 51 N TYR A 6 -4.423 -8.015 -12.517 1.00 10.00 N ATOM 52 CA TYR A 6 -5.360 -7.657 -11.471 1.00 10.00 C ATOM 53 C TYR A 6 -5.159 -8.596 -10.285 1.00 10.00 C ATOM 54 O TYR A 6 -4.755 -9.743 -10.479 1.00 10.00 O ATOM 55 CB TYR A 6 -6.795 -7.703 -11.987 1.00 10.00 C ATOM 56 CG TYR A 6 -7.007 -7.029 -13.326 1.00 10.00 C ATOM 57 CD1 TYR A 6 -7.055 -5.626 -13.407 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.070 -7.802 -14.501 1.00 10.00 C ATOM 59 CE1 TYR A 6 -7.148 -4.995 -14.660 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.165 -7.170 -15.752 1.00 10.00 C ATOM 61 CZ TYR A 6 -7.201 -5.769 -15.832 1.00 10.00 C ATOM 62 OH TYR A 6 -7.280 -5.166 -17.052 1.00 10.00 O ATOM 0 H TYR A 6 -4.797 -8.631 -13.239 1.00 10.00 H new ATOM 0 HA TYR A 6 -5.174 -6.633 -11.147 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.105 -8.745 -12.067 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.447 -7.232 -11.251 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -7.020 -5.032 -12.505 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.045 -8.880 -14.441 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.179 -3.917 -14.722 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.210 -7.763 -16.654 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.307 -5.850 -17.754 1.00 10.00 H new ATOM 72 N TYR A 7 -5.443 -8.121 -9.072 1.00 10.00 N ATOM 73 CA TYR A 7 -5.361 -8.910 -7.854 1.00 10.00 C ATOM 74 C TYR A 7 -6.684 -8.774 -7.103 1.00 10.00 C ATOM 75 O TYR A 7 -7.247 -7.678 -7.029 1.00 10.00 O ATOM 76 CB TYR A 7 -4.173 -8.433 -7.012 1.00 10.00 C ATOM 77 CG TYR A 7 -2.856 -8.367 -7.762 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.221 -9.550 -8.182 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.287 -7.121 -8.082 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.014 -9.487 -8.901 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.081 -7.060 -8.796 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.444 -8.239 -9.205 1.00 10.00 C ATOM 83 OH TYR A 7 0.730 -8.165 -9.892 1.00 10.00 O ATOM 0 H TYR A 7 -5.741 -7.159 -8.911 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.197 -9.963 -8.081 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.400 -7.444 -6.614 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.057 -9.101 -6.159 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.661 -10.509 -7.952 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.780 -6.209 -7.777 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.526 -10.396 -9.219 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.642 -6.102 -9.031 1.00 10.00 H new ATOM 0 HH TYR A 7 0.978 -7.225 -10.016 1.00 10.00 H new ATOM 93 N THR A 8 -7.212 -9.888 -6.591 1.00 10.00 N ATOM 94 CA THR A 8 -8.426 -9.876 -5.793 1.00 10.00 C ATOM 95 C THR A 8 -8.113 -9.293 -4.415 1.00 10.00 C ATOM 96 O THR A 8 -6.969 -9.340 -3.958 1.00 10.00 O ATOM 97 CB THR A 8 -9.008 -11.295 -5.677 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.166 -12.099 -4.882 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.231 -11.959 -7.039 1.00 10.00 C ATOM 0 H THR A 8 -6.808 -10.816 -6.721 1.00 10.00 H new ATOM 0 HA THR A 8 -9.177 -9.253 -6.278 1.00 10.00 H new ATOM 0 HB THR A 8 -9.986 -11.199 -5.205 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.921 -12.908 -5.379 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.643 -12.958 -6.894 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.928 -11.361 -7.626 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.281 -12.032 -7.568 1.00 10.00 H new ATOM 107 N LEU A 9 -9.137 -8.769 -3.735 1.00 10.00 N ATOM 108 CA LEU A 9 -9.009 -8.334 -2.350 1.00 10.00 C ATOM 109 C LEU A 9 -8.388 -9.463 -1.529 1.00 10.00 C ATOM 110 O LEU A 9 -7.448 -9.231 -0.777 1.00 10.00 O ATOM 111 CB LEU A 9 -10.380 -7.903 -1.806 1.00 10.00 C ATOM 112 CG LEU A 9 -10.281 -6.678 -0.876 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.638 -5.977 -0.771 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.811 -7.072 0.529 1.00 10.00 C ATOM 0 H LEU A 9 -10.069 -8.637 -4.129 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.352 -7.467 -2.282 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.043 -7.671 -2.640 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.830 -8.734 -1.263 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.546 -6.001 -1.311 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.552 -5.114 -0.111 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -11.954 -5.647 -1.760 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.375 -6.671 -0.367 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.753 -6.182 1.156 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.518 -7.778 0.965 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.827 -7.536 0.467 1.00 10.00 H new ATOM 126 N GLU A 10 -8.884 -10.687 -1.738 1.00 10.00 N ATOM 127 CA GLU A 10 -8.334 -11.908 -1.155 1.00 10.00 C ATOM 128 C GLU A 10 -6.826 -12.002 -1.386 1.00 10.00 C ATOM 129 O GLU A 10 -6.051 -11.954 -0.434 1.00 10.00 O ATOM 130 CB GLU A 10 -9.052 -13.141 -1.718 1.00 10.00 C ATOM 131 CG GLU A 10 -8.649 -14.445 -1.009 1.00 10.00 C ATOM 132 CD GLU A 10 -8.943 -14.427 0.485 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.133 -14.263 0.825 1.00 10.00 O ATOM 134 OE2 GLU A 10 -7.968 -14.575 1.254 1.00 10.00 O ATOM 0 H GLU A 10 -9.697 -10.856 -2.331 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.501 -11.874 -0.078 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.129 -13.001 -1.626 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.832 -13.229 -2.782 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.179 -15.280 -1.468 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.584 -14.621 -1.162 1.00 10.00 H new ATOM 141 N GLU A 11 -6.404 -12.120 -2.649 1.00 10.00 N ATOM 142 CA GLU A 11 -4.997 -12.194 -3.028 1.00 10.00 C ATOM 143 C GLU A 11 -4.186 -11.161 -2.250 1.00 10.00 C ATOM 144 O GLU A 11 -3.188 -11.493 -1.615 1.00 10.00 O ATOM 145 CB GLU A 11 -4.834 -11.955 -4.539 1.00 10.00 C ATOM 146 CG GLU A 11 -4.498 -13.234 -5.313 1.00 10.00 C ATOM 147 CD GLU A 11 -5.614 -14.260 -5.227 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.659 -13.994 -5.861 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.397 -15.273 -4.527 1.00 10.00 O ATOM 0 H GLU A 11 -7.041 -12.167 -3.444 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.628 -13.191 -2.788 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.755 -11.528 -4.935 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.046 -11.220 -4.702 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.312 -12.987 -6.358 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.578 -13.665 -4.919 1.00 10.00 H new ATOM 156 N ILE A 12 -4.634 -9.908 -2.289 1.00 10.00 N ATOM 157 CA ILE A 12 -3.946 -8.812 -1.626 1.00 10.00 C ATOM 158 C ILE A 12 -3.895 -9.084 -0.110 1.00 10.00 C ATOM 159 O ILE A 12 -2.828 -8.981 0.492 1.00 10.00 O ATOM 160 CB ILE A 12 -4.604 -7.478 -2.037 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.582 -7.318 -3.575 1.00 10.00 C ATOM 162 CG2 ILE A 12 -3.876 -6.268 -1.438 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.640 -6.330 -4.059 1.00 10.00 C ATOM 0 H ILE A 12 -5.483 -9.628 -2.781 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.905 -8.733 -1.940 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.626 -7.509 -1.660 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.596 -6.978 -3.891 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.749 -8.288 -4.043 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.374 -5.351 -1.754 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -3.894 -6.334 -0.350 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.842 -6.257 -1.784 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.591 -6.247 -5.145 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.629 -6.684 -3.767 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.457 -5.353 -3.612 1.00 10.00 H new ATOM 175 N GLN A 13 -5.018 -9.500 0.489 1.00 10.00 N ATOM 176 CA GLN A 13 -5.140 -9.913 1.884 1.00 10.00 C ATOM 177 C GLN A 13 -4.216 -11.080 2.255 1.00 10.00 C ATOM 178 O GLN A 13 -3.892 -11.246 3.428 1.00 10.00 O ATOM 179 CB GLN A 13 -6.601 -10.257 2.221 1.00 10.00 C ATOM 180 CG GLN A 13 -7.362 -9.071 2.824 1.00 10.00 C ATOM 181 CD GLN A 13 -7.035 -8.855 4.304 1.00 10.00 C ATOM 182 OE1 GLN A 13 -5.935 -9.141 4.770 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.002 -8.367 5.075 1.00 10.00 N ATOM 0 H GLN A 13 -5.904 -9.559 -0.013 1.00 10.00 H new ATOM 0 HA GLN A 13 -4.820 -9.061 2.484 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.110 -10.588 1.316 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.621 -11.091 2.922 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.120 -8.167 2.266 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.434 -9.237 2.713 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -8.909 -8.135 4.670 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -7.837 -8.224 6.071 1.00 10.00 H new ATOM 192 N LYS A 14 -3.789 -11.907 1.294 1.00 10.00 N ATOM 193 CA LYS A 14 -2.828 -12.962 1.585 1.00 10.00 C ATOM 194 C LYS A 14 -1.416 -12.409 1.832 1.00 10.00 C ATOM 195 O LYS A 14 -0.538 -13.176 2.227 1.00 10.00 O ATOM 196 CB LYS A 14 -2.816 -14.034 0.486 1.00 10.00 C ATOM 197 CG LYS A 14 -4.183 -14.708 0.296 1.00 10.00 C ATOM 198 CD LYS A 14 -4.209 -15.810 -0.776 1.00 10.00 C ATOM 199 CE LYS A 14 -3.337 -17.024 -0.424 1.00 10.00 C ATOM 200 NZ LYS A 14 -1.939 -16.864 -0.873 1.00 10.00 N ATOM 0 H LYS A 14 -4.093 -11.863 0.321 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.155 -13.435 2.511 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.506 -13.579 -0.455 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.073 -14.793 0.733 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.497 -15.137 1.247 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.916 -13.946 0.033 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -5.237 -16.141 -0.922 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.871 -15.392 -1.724 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -3.353 -17.179 0.655 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -3.762 -17.918 -0.881 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -1.656 -17.695 -1.430 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -1.859 -16.010 -1.461 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -1.317 -16.774 -0.045 1.00 10.00 H new ATOM 214 N HIS A 15 -1.167 -11.115 1.581 1.00 10.00 N ATOM 215 CA HIS A 15 0.077 -10.462 1.969 1.00 10.00 C ATOM 216 C HIS A 15 -0.127 -9.958 3.405 1.00 10.00 C ATOM 217 O HIS A 15 -0.713 -10.676 4.208 1.00 10.00 O ATOM 218 CB HIS A 15 0.474 -9.410 0.911 1.00 10.00 C ATOM 219 CG HIS A 15 0.868 -10.023 -0.419 1.00 10.00 C ATOM 220 ND1 HIS A 15 2.057 -9.806 -1.080 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.185 -10.980 -1.129 1.00 10.00 C ATOM 222 CE1 HIS A 15 2.093 -10.628 -2.143 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.976 -11.363 -2.215 1.00 10.00 N ATOM 0 H HIS A 15 -1.825 -10.499 1.104 1.00 10.00 H new ATOM 0 HA HIS A 15 0.940 -11.127 1.988 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.361 -8.726 0.756 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.306 -8.817 1.291 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.794 -11.369 -0.889 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.912 -10.688 -2.844 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.748 -12.063 -2.921 1.00 10.00 H new ATOM 231 N ASN A 16 0.346 -8.754 3.757 1.00 10.00 N ATOM 232 CA ASN A 16 -0.001 -8.048 5.001 1.00 10.00 C ATOM 233 C ASN A 16 0.027 -8.930 6.248 1.00 10.00 C ATOM 234 O ASN A 16 -0.819 -8.797 7.131 1.00 10.00 O ATOM 235 CB ASN A 16 -1.357 -7.353 4.853 1.00 10.00 C ATOM 236 CG ASN A 16 -2.501 -8.305 4.549 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.713 -8.611 3.385 1.00 10.00 O ATOM 238 ND2 ASN A 16 -3.257 -8.733 5.551 1.00 10.00 N ATOM 0 H ASN A 16 0.996 -8.230 3.171 1.00 10.00 H new ATOM 0 HA ASN A 16 0.779 -7.303 5.156 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.581 -6.812 5.773 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -1.291 -6.612 4.056 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -4.053 -9.343 5.365 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.043 -8.452 6.508 1.00 10.00 H new ATOM 292 N SER A 20 5.459 -9.522 4.024 1.00 10.00 N ATOM 293 CA SER A 20 4.701 -9.075 2.868 1.00 10.00 C ATOM 294 C SER A 20 3.716 -7.973 3.274 1.00 10.00 C ATOM 295 O SER A 20 3.109 -8.065 4.342 1.00 10.00 O ATOM 296 CB SER A 20 3.995 -10.307 2.298 1.00 10.00 C ATOM 297 OG SER A 20 3.422 -11.046 3.362 1.00 10.00 O ATOM 0 HA SER A 20 5.346 -8.639 2.106 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.222 -10.004 1.591 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.704 -10.926 1.749 1.00 10.00 H new ATOM 0 HG SER A 20 3.997 -10.980 4.153 1.00 10.00 H new ATOM 303 N THR A 21 3.547 -6.936 2.444 1.00 10.00 N ATOM 304 CA THR A 21 2.635 -5.823 2.702 1.00 10.00 C ATOM 305 C THR A 21 2.192 -5.198 1.377 1.00 10.00 C ATOM 306 O THR A 21 2.964 -4.473 0.747 1.00 10.00 O ATOM 307 CB THR A 21 3.296 -4.812 3.656 1.00 10.00 C ATOM 308 OG1 THR A 21 3.232 -5.338 4.968 1.00 10.00 O ATOM 309 CG2 THR A 21 2.619 -3.437 3.630 1.00 10.00 C ATOM 0 H THR A 21 4.050 -6.849 1.561 1.00 10.00 H new ATOM 0 HA THR A 21 1.734 -6.181 3.200 1.00 10.00 H new ATOM 0 HB THR A 21 4.325 -4.664 3.330 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.053 -6.301 4.926 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.129 -2.767 4.322 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.671 -3.025 2.622 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.575 -3.540 3.927 1.00 10.00 H new ATOM 317 N TRP A 22 0.953 -5.507 0.970 1.00 10.00 N ATOM 318 CA TRP A 22 0.247 -4.915 -0.153 1.00 10.00 C ATOM 319 C TRP A 22 -1.029 -4.249 0.369 1.00 10.00 C ATOM 320 O TRP A 22 -1.476 -4.532 1.483 1.00 10.00 O ATOM 321 CB TRP A 22 -0.168 -6.003 -1.146 1.00 10.00 C ATOM 322 CG TRP A 22 0.871 -6.683 -1.981 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.209 -6.590 -1.843 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.659 -7.533 -3.149 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.832 -7.278 -2.856 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.927 -7.881 -3.699 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.482 -8.033 -3.808 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.058 -8.672 -4.849 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.365 -8.858 -4.941 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.901 -9.173 -5.467 1.00 10.00 C ATOM 0 H TRP A 22 0.395 -6.215 1.447 1.00 10.00 H new ATOM 0 HA TRP A 22 0.900 -4.193 -0.644 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.689 -6.776 -0.582 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.895 -5.561 -1.828 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.716 -6.054 -1.054 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.844 -7.335 -2.970 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.464 -7.778 -3.436 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.035 -8.893 -5.254 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.254 -9.253 -5.411 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.983 -9.798 -6.344 1.00 10.00 H new ATOM 341 N LEU A 23 -1.633 -3.388 -0.452 1.00 10.00 N ATOM 342 CA LEU A 23 -2.812 -2.606 -0.109 1.00 10.00 C ATOM 343 C LEU A 23 -3.440 -2.024 -1.372 1.00 10.00 C ATOM 344 O LEU A 23 -2.788 -2.005 -2.415 1.00 10.00 O ATOM 345 CB LEU A 23 -2.480 -1.520 0.924 1.00 10.00 C ATOM 346 CG LEU A 23 -1.076 -0.911 0.795 1.00 10.00 C ATOM 347 CD1 LEU A 23 -0.896 -0.100 -0.487 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.833 0.014 1.979 1.00 10.00 C ATOM 0 H LEU A 23 -1.302 -3.214 -1.401 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.545 -3.264 0.357 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.216 -0.721 0.838 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.585 -1.945 1.922 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.366 -1.738 0.770 1.00 10.00 H new ATOM 0 HD11 LEU A 23 0.115 0.305 -0.522 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.059 -0.744 -1.351 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.616 0.718 -0.504 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.161 0.453 1.899 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.581 0.807 1.981 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.905 -0.555 2.906 1.00 10.00 H new ATOM 360 N ILE A 24 -4.697 -1.571 -1.267 1.00 10.00 N ATOM 361 CA ILE A 24 -5.442 -0.934 -2.347 1.00 10.00 C ATOM 362 C ILE A 24 -5.581 0.551 -2.033 1.00 10.00 C ATOM 363 O ILE A 24 -6.240 0.923 -1.055 1.00 10.00 O ATOM 364 CB ILE A 24 -6.831 -1.571 -2.535 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.693 -3.001 -3.072 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.657 -0.727 -3.522 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.995 -3.789 -2.896 1.00 10.00 C ATOM 0 H ILE A 24 -5.233 -1.642 -0.402 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.896 -1.074 -3.280 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.337 -1.604 -1.570 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.423 -2.971 -4.128 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.883 -3.511 -2.550 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.640 -1.180 -3.654 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.772 0.283 -3.129 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.145 -0.686 -4.483 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.865 -4.798 -3.286 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.250 -3.839 -1.837 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.798 -3.291 -3.439 1.00 10.00 H new ATOM 379 N LEU A 25 -4.982 1.385 -2.884 1.00 10.00 N ATOM 380 CA LEU A 25 -5.167 2.823 -2.898 1.00 10.00 C ATOM 381 C LEU A 25 -5.888 3.140 -4.213 1.00 10.00 C ATOM 382 O LEU A 25 -5.310 2.986 -5.286 1.00 10.00 O ATOM 383 CB LEU A 25 -3.801 3.525 -2.832 1.00 10.00 C ATOM 384 CG LEU A 25 -3.016 3.621 -1.512 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.551 2.709 -0.427 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.500 3.459 -1.710 1.00 10.00 C ATOM 0 H LEU A 25 -4.335 1.060 -3.603 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.746 3.172 -2.043 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.152 3.027 -3.552 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.950 4.544 -3.189 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.178 4.638 -1.155 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -2.952 2.827 0.476 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.587 2.969 -0.211 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.499 1.674 -0.764 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.997 3.535 -0.746 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.293 2.484 -2.151 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.134 4.243 -2.373 1.00 10.00 H new ATOM 398 N HIS A 26 -7.160 3.537 -4.146 1.00 10.00 N ATOM 399 CA HIS A 26 -7.966 3.965 -5.288 1.00 10.00 C ATOM 400 C HIS A 26 -8.010 2.882 -6.372 1.00 10.00 C ATOM 401 O HIS A 26 -7.729 3.141 -7.540 1.00 10.00 O ATOM 402 CB HIS A 26 -7.481 5.316 -5.836 1.00 10.00 C ATOM 403 CG HIS A 26 -7.335 6.387 -4.784 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.329 7.207 -4.295 1.00 10.00 N ATOM 405 CD2 HIS A 26 -6.184 6.686 -4.109 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.777 7.984 -3.345 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.471 7.703 -3.195 1.00 10.00 N ATOM 0 H HIS A 26 -7.673 3.570 -3.265 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.990 4.111 -4.943 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.520 5.172 -6.330 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -8.182 5.661 -6.596 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.222 6.218 -4.257 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.311 8.733 -2.779 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.820 8.144 -2.545 1.00 10.00 H new ATOM 415 N TYR A 27 -8.341 1.654 -5.962 1.00 10.00 N ATOM 416 CA TYR A 27 -8.410 0.473 -6.818 1.00 10.00 C ATOM 417 C TYR A 27 -7.055 0.081 -7.430 1.00 10.00 C ATOM 418 O TYR A 27 -7.020 -0.793 -8.296 1.00 10.00 O ATOM 419 CB TYR A 27 -9.483 0.633 -7.909 1.00 10.00 C ATOM 420 CG TYR A 27 -10.846 1.147 -7.475 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.459 0.661 -6.303 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.587 1.961 -8.355 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.803 0.967 -6.029 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.927 2.278 -8.070 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.526 1.805 -6.890 1.00 10.00 C ATOM 426 OH TYR A 27 -14.820 2.116 -6.602 1.00 10.00 O ATOM 0 H TYR A 27 -8.576 1.451 -4.990 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.699 -0.351 -6.166 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -9.093 1.310 -8.669 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.624 -0.336 -8.388 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.894 0.051 -5.613 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.123 2.343 -9.253 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.281 0.555 -5.152 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.496 2.885 -8.758 1.00 10.00 H new ATOM 0 HH TYR A 27 -15.177 2.707 -7.298 1.00 10.00 H new ATOM 436 N LYS A 28 -5.947 0.691 -6.991 1.00 10.00 N ATOM 437 CA LYS A 28 -4.607 0.435 -7.498 1.00 10.00 C ATOM 438 C LYS A 28 -3.823 -0.290 -6.399 1.00 10.00 C ATOM 439 O LYS A 28 -3.851 0.151 -5.247 1.00 10.00 O ATOM 440 CB LYS A 28 -3.978 1.788 -7.868 1.00 10.00 C ATOM 441 CG LYS A 28 -2.842 1.679 -8.892 1.00 10.00 C ATOM 442 CD LYS A 28 -3.362 1.654 -10.335 1.00 10.00 C ATOM 443 CE LYS A 28 -3.836 3.023 -10.846 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.389 2.918 -12.212 1.00 10.00 N ATOM 0 H LYS A 28 -5.966 1.395 -6.253 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.607 -0.194 -8.388 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.753 2.442 -8.267 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.596 2.261 -6.963 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.161 2.521 -8.768 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.267 0.773 -8.699 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.572 1.286 -10.990 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.188 0.946 -10.402 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.594 3.423 -10.173 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.002 3.725 -10.841 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.134 3.632 -12.341 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.632 3.079 -12.906 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.791 1.969 -12.352 1.00 10.00 H new ATOM 458 N VAL A 29 -3.159 -1.403 -6.734 1.00 10.00 N ATOM 459 CA VAL A 29 -2.423 -2.210 -5.768 1.00 10.00 C ATOM 460 C VAL A 29 -0.949 -1.816 -5.804 1.00 10.00 C ATOM 461 O VAL A 29 -0.344 -1.750 -6.878 1.00 10.00 O ATOM 462 CB VAL A 29 -2.587 -3.713 -6.028 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.191 -4.505 -4.774 1.00 10.00 C ATOM 464 CG2 VAL A 29 -4.034 -4.054 -6.373 1.00 10.00 C ATOM 0 H VAL A 29 -3.120 -1.766 -7.687 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.833 -2.015 -4.777 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.943 -3.978 -6.867 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.310 -5.572 -4.965 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -1.151 -4.294 -4.524 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.831 -4.212 -3.942 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -4.122 -5.125 -6.553 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.682 -3.770 -5.544 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.332 -3.510 -7.269 1.00 10.00 H new ATOM 474 N TYR A 30 -0.378 -1.567 -4.626 1.00 10.00 N ATOM 475 CA TYR A 30 1.005 -1.150 -4.460 1.00 10.00 C ATOM 476 C TYR A 30 1.720 -2.162 -3.568 1.00 10.00 C ATOM 477 O TYR A 30 1.226 -2.444 -2.476 1.00 10.00 O ATOM 478 CB TYR A 30 1.002 0.256 -3.847 1.00 10.00 C ATOM 479 CG TYR A 30 0.471 1.313 -4.799 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.273 1.764 -5.860 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.860 1.762 -4.704 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.765 2.695 -6.783 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.315 2.787 -5.553 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.496 3.264 -6.583 1.00 10.00 C ATOM 485 OH TYR A 30 -0.931 4.262 -7.402 1.00 10.00 O ATOM 0 H TYR A 30 -0.880 -1.653 -3.742 1.00 10.00 H new ATOM 0 HA TYR A 30 1.535 -1.114 -5.412 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.395 0.251 -2.942 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.017 0.519 -3.549 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.282 1.395 -5.967 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.530 1.321 -3.981 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.350 2.971 -7.648 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.299 3.207 -5.410 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.828 4.544 -7.126 1.00 10.00 H new ATOM 495 N ASP A 31 2.862 -2.702 -4.016 1.00 10.00 N ATOM 496 CA ASP A 31 3.745 -3.463 -3.132 1.00 10.00 C ATOM 497 C ASP A 31 4.656 -2.464 -2.438 1.00 10.00 C ATOM 498 O ASP A 31 5.251 -1.624 -3.109 1.00 10.00 O ATOM 499 CB ASP A 31 4.603 -4.490 -3.886 1.00 10.00 C ATOM 500 CG ASP A 31 5.501 -5.267 -2.920 1.00 10.00 C ATOM 501 OD1 ASP A 31 6.285 -4.620 -2.193 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.356 -6.507 -2.869 1.00 10.00 O ATOM 0 H ASP A 31 3.191 -2.625 -4.978 1.00 10.00 H new ATOM 0 HA ASP A 31 3.133 -4.025 -2.427 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.957 -5.183 -4.426 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.217 -3.981 -4.630 1.00 10.00 H new ATOM 507 N LEU A 32 4.765 -2.542 -1.111 1.00 10.00 N ATOM 508 CA LEU A 32 5.733 -1.753 -0.372 1.00 10.00 C ATOM 509 C LEU A 32 6.419 -2.636 0.676 1.00 10.00 C ATOM 510 O LEU A 32 6.890 -2.133 1.696 1.00 10.00 O ATOM 511 CB LEU A 32 5.014 -0.568 0.285 1.00 10.00 C ATOM 512 CG LEU A 32 4.078 0.237 -0.645 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.941 0.850 0.168 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.889 1.296 -1.396 1.00 10.00 C ATOM 0 H LEU A 32 4.188 -3.149 -0.529 1.00 10.00 H new ATOM 0 HA LEU A 32 6.499 -1.366 -1.043 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.430 -0.940 1.127 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.764 0.110 0.693 1.00 10.00 H new ATOM 0 HG LEU A 32 3.628 -0.423 -1.387 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.285 1.416 -0.493 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.371 0.057 0.652 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.354 1.515 0.926 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.228 1.863 -2.052 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.357 1.972 -0.680 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.660 0.808 -1.992 1.00 10.00 H new ATOM 526 N THR A 33 6.485 -3.953 0.448 1.00 10.00 N ATOM 527 CA THR A 33 7.008 -4.887 1.447 1.00 10.00 C ATOM 528 C THR A 33 8.442 -4.523 1.799 1.00 10.00 C ATOM 529 O THR A 33 8.825 -4.462 2.965 1.00 10.00 O ATOM 530 CB THR A 33 6.885 -6.346 0.982 1.00 10.00 C ATOM 531 OG1 THR A 33 7.260 -7.230 2.018 1.00 10.00 O ATOM 532 CG2 THR A 33 7.737 -6.759 -0.216 1.00 10.00 C ATOM 0 H THR A 33 6.182 -4.394 -0.420 1.00 10.00 H new ATOM 0 HA THR A 33 6.403 -4.800 2.349 1.00 10.00 H new ATOM 0 HB THR A 33 5.837 -6.408 0.690 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.484 -8.105 1.637 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.559 -7.810 -0.444 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.470 -6.150 -1.080 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.791 -6.612 0.019 1.00 10.00 H new ATOM 540 N LYS A 34 9.213 -4.213 0.761 1.00 10.00 N ATOM 541 CA LYS A 34 10.612 -3.856 0.878 1.00 10.00 C ATOM 542 C LYS A 34 10.754 -2.342 1.066 1.00 10.00 C ATOM 543 O LYS A 34 11.821 -1.803 0.804 1.00 10.00 O ATOM 544 CB LYS A 34 11.359 -4.420 -0.351 1.00 10.00 C ATOM 545 CG LYS A 34 12.555 -5.318 0.009 1.00 10.00 C ATOM 546 CD LYS A 34 13.881 -4.577 -0.213 1.00 10.00 C ATOM 547 CE LYS A 34 15.085 -5.334 0.368 1.00 10.00 C ATOM 548 NZ LYS A 34 15.205 -6.711 -0.157 1.00 10.00 N ATOM 0 H LYS A 34 8.871 -4.204 -0.200 1.00 10.00 H new ATOM 0 HA LYS A 34 11.069 -4.298 1.763 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.658 -4.991 -0.960 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.711 -3.590 -0.963 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.479 -5.632 1.050 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.532 -6.222 -0.599 1.00 10.00 H new ATOM 0 HD2 LYS A 34 14.033 -4.425 -1.281 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.822 -3.589 0.245 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.998 -4.783 0.142 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.996 -5.371 1.454 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 16.071 -7.151 0.216 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.378 -7.269 0.139 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.251 -6.684 -1.196 1.00 10.00 H new ATOM 562 N PHE A 35 9.689 -1.669 1.526 1.00 10.00 N ATOM 563 CA PHE A 35 9.663 -0.245 1.825 1.00 10.00 C ATOM 564 C PHE A 35 9.118 0.018 3.235 1.00 10.00 C ATOM 565 O PHE A 35 8.994 1.173 3.628 1.00 10.00 O ATOM 566 CB PHE A 35 8.788 0.462 0.781 1.00 10.00 C ATOM 567 CG PHE A 35 9.173 1.906 0.501 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.502 2.233 0.167 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.213 2.931 0.610 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.879 3.575 -0.007 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.587 4.273 0.417 1.00 10.00 C ATOM 572 CZ PHE A 35 9.922 4.596 0.117 1.00 10.00 C ATOM 0 H PHE A 35 8.794 -2.125 1.704 1.00 10.00 H new ATOM 0 HA PHE A 35 10.681 0.144 1.788 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.835 -0.099 -0.152 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.752 0.435 1.118 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.234 1.449 0.044 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.187 2.686 0.842 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.905 3.822 -0.236 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.848 5.056 0.499 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.211 5.628 -0.018 1.00 10.00 H new ATOM 582 N LEU A 36 8.769 -1.021 4.004 1.00 10.00 N ATOM 583 CA LEU A 36 8.179 -0.867 5.328 1.00 10.00 C ATOM 584 C LEU A 36 9.018 0.045 6.224 1.00 10.00 C ATOM 585 O LEU A 36 8.539 1.075 6.693 1.00 10.00 O ATOM 586 CB LEU A 36 8.034 -2.254 5.966 1.00 10.00 C ATOM 587 CG LEU A 36 6.877 -3.066 5.370 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.953 -4.494 5.913 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.525 -2.443 5.730 1.00 10.00 C ATOM 0 H LEU A 36 8.891 -1.993 3.719 1.00 10.00 H new ATOM 0 HA LEU A 36 7.202 -0.396 5.221 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.964 -2.807 5.837 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.877 -2.141 7.039 1.00 10.00 H new ATOM 0 HG LEU A 36 6.965 -3.069 4.284 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.136 -5.085 5.498 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.905 -4.941 5.628 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.872 -4.475 7.000 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.723 -3.039 5.295 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.412 -2.419 6.814 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.477 -1.427 5.338 1.00 10.00 H new ATOM 601 N GLU A 37 10.265 -0.358 6.469 1.00 10.00 N ATOM 602 CA GLU A 37 11.187 0.364 7.335 1.00 10.00 C ATOM 603 C GLU A 37 11.520 1.734 6.727 1.00 10.00 C ATOM 604 O GLU A 37 11.665 2.728 7.435 1.00 10.00 O ATOM 605 CB GLU A 37 12.442 -0.500 7.544 1.00 10.00 C ATOM 606 CG GLU A 37 13.112 -0.247 8.899 1.00 10.00 C ATOM 607 CD GLU A 37 14.377 -1.086 9.036 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.226 -2.311 9.230 1.00 10.00 O ATOM 609 OE2 GLU A 37 15.470 -0.493 8.912 1.00 10.00 O ATOM 0 H GLU A 37 10.664 -1.205 6.065 1.00 10.00 H new ATOM 0 HA GLU A 37 10.732 0.552 8.307 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.171 -1.553 7.468 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.156 -0.296 6.746 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.358 0.810 8.998 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.419 -0.490 9.705 1.00 10.00 H new ATOM 616 N GLU A 38 11.634 1.771 5.396 1.00 10.00 N ATOM 617 CA GLU A 38 11.999 2.944 4.624 1.00 10.00 C ATOM 618 C GLU A 38 10.947 4.048 4.749 1.00 10.00 C ATOM 619 O GLU A 38 11.277 5.224 4.893 1.00 10.00 O ATOM 620 CB GLU A 38 12.159 2.520 3.161 1.00 10.00 C ATOM 621 CG GLU A 38 13.314 1.526 2.964 1.00 10.00 C ATOM 622 CD GLU A 38 13.876 1.581 1.546 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.159 2.709 1.087 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.016 0.498 0.941 1.00 10.00 O ATOM 0 H GLU A 38 11.467 0.951 4.813 1.00 10.00 H new ATOM 0 HA GLU A 38 12.935 3.352 5.007 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.230 2.068 2.813 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.334 3.403 2.546 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.108 1.746 3.678 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.964 0.516 3.177 1.00 10.00 H new ATOM 631 N HIS A 39 9.675 3.671 4.637 1.00 10.00 N ATOM 632 CA HIS A 39 8.569 4.613 4.564 1.00 10.00 C ATOM 633 C HIS A 39 8.487 5.454 5.849 1.00 10.00 C ATOM 634 O HIS A 39 8.173 4.914 6.912 1.00 10.00 O ATOM 635 CB HIS A 39 7.272 3.842 4.314 1.00 10.00 C ATOM 636 CG HIS A 39 6.031 4.692 4.395 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.125 4.649 5.426 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.555 5.568 3.451 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.117 5.470 5.097 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.330 6.071 3.909 1.00 10.00 N ATOM 0 H HIS A 39 9.384 2.694 4.594 1.00 10.00 H new ATOM 0 HA HIS A 39 8.730 5.305 3.738 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.320 3.380 3.328 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.195 3.034 5.042 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.204 4.097 6.280 1.00 10.00 H new ATOM 0 HD2 HIS A 39 6.039 5.824 2.520 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.242 5.630 5.709 1.00 10.00 H new ATOM 648 N PRO A 40 8.704 6.779 5.777 1.00 10.00 N ATOM 649 CA PRO A 40 8.836 7.625 6.956 1.00 10.00 C ATOM 650 C PRO A 40 7.551 7.671 7.784 1.00 10.00 C ATOM 651 O PRO A 40 7.604 7.892 8.991 1.00 10.00 O ATOM 652 CB PRO A 40 9.237 9.007 6.431 1.00 10.00 C ATOM 653 CG PRO A 40 8.673 9.026 5.012 1.00 10.00 C ATOM 654 CD PRO A 40 8.838 7.574 4.566 1.00 10.00 C ATOM 0 HA PRO A 40 9.587 7.230 7.641 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.816 9.806 7.041 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.319 9.140 6.435 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.629 9.339 4.995 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.222 9.713 4.367 1.00 10.00 H new ATOM 0 HD2 PRO A 40 8.081 7.301 3.831 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.809 7.415 4.097 1.00 10.00 H new ATOM 662 N GLY A 41 6.394 7.429 7.158 1.00 10.00 N ATOM 663 CA GLY A 41 5.128 7.335 7.867 1.00 10.00 C ATOM 664 C GLY A 41 5.051 6.149 8.833 1.00 10.00 C ATOM 665 O GLY A 41 4.099 6.067 9.606 1.00 10.00 O ATOM 0 H GLY A 41 6.316 7.294 6.150 1.00 10.00 H new ATOM 0 HA2 GLY A 41 4.964 8.257 8.424 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.320 7.254 7.140 1.00 10.00 H new ATOM 669 N GLY A 42 6.025 5.231 8.797 1.00 10.00 N ATOM 670 CA GLY A 42 6.165 4.178 9.789 1.00 10.00 C ATOM 671 C GLY A 42 5.678 2.837 9.250 1.00 10.00 C ATOM 672 O GLY A 42 4.608 2.750 8.638 1.00 10.00 O ATOM 0 H GLY A 42 6.740 5.205 8.070 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.210 4.094 10.088 1.00 10.00 H new ATOM 0 HA3 GLY A 42 5.598 4.440 10.682 1.00 10.00 H new ATOM 676 N GLU A 43 6.456 1.779 9.507 1.00 10.00 N ATOM 677 CA GLU A 43 6.104 0.437 9.081 1.00 10.00 C ATOM 678 C GLU A 43 4.764 0.014 9.677 1.00 10.00 C ATOM 679 O GLU A 43 3.972 -0.636 9.003 1.00 10.00 O ATOM 680 CB GLU A 43 7.220 -0.568 9.409 1.00 10.00 C ATOM 681 CG GLU A 43 7.473 -0.857 10.899 1.00 10.00 C ATOM 682 CD GLU A 43 8.226 -2.168 11.075 1.00 10.00 C ATOM 683 OE1 GLU A 43 7.583 -3.210 10.802 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.407 -2.118 11.464 1.00 10.00 O ATOM 0 H GLU A 43 7.340 1.837 10.013 1.00 10.00 H new ATOM 0 HA GLU A 43 5.995 0.445 7.997 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.985 -1.511 8.915 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.148 -0.201 8.971 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.046 -0.041 11.340 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.523 -0.904 11.431 1.00 10.00 H new ATOM 691 N ALA A 44 4.523 0.367 10.944 1.00 10.00 N ATOM 692 CA ALA A 44 3.341 -0.041 11.688 1.00 10.00 C ATOM 693 C ALA A 44 2.079 0.451 10.987 1.00 10.00 C ATOM 694 O ALA A 44 1.178 -0.337 10.713 1.00 10.00 O ATOM 695 CB ALA A 44 3.423 0.484 13.124 1.00 10.00 C ATOM 0 H ALA A 44 5.158 0.954 11.484 1.00 10.00 H new ATOM 0 HA ALA A 44 3.297 -1.129 11.726 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.535 0.175 13.676 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.311 0.079 13.609 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.481 1.572 13.111 1.00 10.00 H new ATOM 701 N VAL A 45 2.032 1.747 10.671 1.00 10.00 N ATOM 702 CA VAL A 45 0.932 2.353 9.935 1.00 10.00 C ATOM 703 C VAL A 45 0.741 1.608 8.612 1.00 10.00 C ATOM 704 O VAL A 45 -0.349 1.113 8.323 1.00 10.00 O ATOM 705 CB VAL A 45 1.212 3.857 9.755 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.277 4.511 8.733 1.00 10.00 C ATOM 707 CG2 VAL A 45 1.051 4.577 11.100 1.00 10.00 C ATOM 0 H VAL A 45 2.767 2.408 10.924 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.006 2.268 10.484 1.00 10.00 H new ATOM 0 HB VAL A 45 2.233 3.948 9.384 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.518 5.570 8.645 1.00 10.00 H new ATOM 0 HG12 VAL A 45 0.403 4.029 7.764 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -0.756 4.400 9.062 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.250 5.641 10.969 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.034 4.440 11.466 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.755 4.162 11.821 1.00 10.00 H new ATOM 717 N LEU A 46 1.813 1.477 7.824 1.00 10.00 N ATOM 718 CA LEU A 46 1.722 0.749 6.565 1.00 10.00 C ATOM 719 C LEU A 46 1.179 -0.671 6.775 1.00 10.00 C ATOM 720 O LEU A 46 0.353 -1.127 5.992 1.00 10.00 O ATOM 721 CB LEU A 46 3.072 0.733 5.826 1.00 10.00 C ATOM 722 CG LEU A 46 3.075 1.642 4.586 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.475 1.654 3.964 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.095 1.151 3.514 1.00 10.00 C ATOM 0 H LEU A 46 2.735 1.859 8.034 1.00 10.00 H new ATOM 0 HA LEU A 46 1.010 1.279 5.932 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.860 1.052 6.508 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.306 -0.288 5.525 1.00 10.00 H new ATOM 0 HG LEU A 46 2.775 2.637 4.915 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.477 2.298 3.085 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.193 2.031 4.692 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.752 0.641 3.672 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.129 1.822 2.655 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.373 0.145 3.200 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.085 1.137 3.924 1.00 10.00 H new ATOM 736 N ARG A 47 1.621 -1.364 7.829 1.00 10.00 N ATOM 737 CA ARG A 47 1.221 -2.735 8.121 1.00 10.00 C ATOM 738 C ARG A 47 -0.270 -2.769 8.441 1.00 10.00 C ATOM 739 O ARG A 47 -1.006 -3.596 7.920 1.00 10.00 O ATOM 740 CB ARG A 47 2.024 -3.291 9.311 1.00 10.00 C ATOM 741 CG ARG A 47 2.254 -4.806 9.211 1.00 10.00 C ATOM 742 CD ARG A 47 3.321 -5.194 8.167 1.00 10.00 C ATOM 743 NE ARG A 47 4.579 -5.666 8.776 1.00 10.00 N ATOM 744 CZ ARG A 47 5.494 -4.916 9.409 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.408 -3.589 9.427 1.00 10.00 N ATOM 746 NH2 ARG A 47 6.526 -5.480 10.036 1.00 10.00 N ATOM 0 H ARG A 47 2.276 -0.979 8.510 1.00 10.00 H new ATOM 0 HA ARG A 47 1.423 -3.356 7.248 1.00 10.00 H new ATOM 0 HB2 ARG A 47 2.987 -2.784 9.364 1.00 10.00 H new ATOM 0 HB3 ARG A 47 1.495 -3.068 10.238 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.556 -5.186 10.187 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.313 -5.293 8.957 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.921 -5.975 7.520 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.531 -4.332 7.533 1.00 10.00 H new ATOM 0 HE ARG A 47 4.773 -6.665 8.709 1.00 10.00 H new ATOM 0 HH11 ARG A 47 4.635 -3.122 8.953 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.115 -3.039 9.915 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.628 -6.495 10.039 1.00 10.00 H new ATOM 0 HH22 ARG A 47 7.214 -4.897 10.513 1.00 10.00 H new ATOM 760 N ALA A 48 -0.706 -1.858 9.309 1.00 10.00 N ATOM 761 CA ALA A 48 -2.084 -1.739 9.745 1.00 10.00 C ATOM 762 C ALA A 48 -3.009 -1.512 8.549 1.00 10.00 C ATOM 763 O ALA A 48 -4.070 -2.123 8.455 1.00 10.00 O ATOM 764 CB ALA A 48 -2.167 -0.594 10.753 1.00 10.00 C ATOM 0 H ALA A 48 -0.089 -1.167 9.736 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.413 -2.662 10.223 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.196 -0.485 11.096 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.522 -0.811 11.604 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.843 0.332 10.279 1.00 10.00 H new ATOM 770 N GLN A 49 -2.600 -0.635 7.630 1.00 10.00 N ATOM 771 CA GLN A 49 -3.308 -0.387 6.387 1.00 10.00 C ATOM 772 C GLN A 49 -3.141 -1.526 5.374 1.00 10.00 C ATOM 773 O GLN A 49 -3.925 -1.634 4.432 1.00 10.00 O ATOM 774 CB GLN A 49 -2.806 0.949 5.831 1.00 10.00 C ATOM 775 CG GLN A 49 -3.690 2.092 6.332 1.00 10.00 C ATOM 776 CD GLN A 49 -3.742 2.231 7.851 1.00 10.00 C ATOM 777 OE1 GLN A 49 -2.815 2.742 8.468 1.00 10.00 O ATOM 778 NE2 GLN A 49 -4.847 1.821 8.468 1.00 10.00 N ATOM 0 H GLN A 49 -1.755 -0.073 7.736 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.380 -0.339 6.581 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.774 1.115 6.139 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.813 0.924 4.741 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.328 3.028 5.906 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.703 1.942 5.958 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.604 1.399 7.931 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.937 1.929 9.478 1.00 10.00 H new ATOM 787 N ALA A 50 -2.113 -2.361 5.523 1.00 10.00 N ATOM 788 CA ALA A 50 -1.892 -3.470 4.615 1.00 10.00 C ATOM 789 C ALA A 50 -3.072 -4.444 4.660 1.00 10.00 C ATOM 790 O ALA A 50 -3.664 -4.661 5.714 1.00 10.00 O ATOM 791 CB ALA A 50 -0.563 -4.157 4.929 1.00 10.00 C ATOM 0 H ALA A 50 -1.422 -2.284 6.269 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.828 -3.090 3.595 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.411 -4.987 4.239 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.251 -3.441 4.820 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.581 -4.533 5.952 1.00 10.00 H new ATOM 797 N GLY A 51 -3.402 -5.044 3.514 1.00 10.00 N ATOM 798 CA GLY A 51 -4.487 -6.015 3.403 1.00 10.00 C ATOM 799 C GLY A 51 -5.695 -5.446 2.679 1.00 10.00 C ATOM 800 O GLY A 51 -6.836 -5.620 3.095 1.00 10.00 O ATOM 0 H GLY A 51 -2.919 -4.867 2.633 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.130 -6.897 2.872 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.784 -6.341 4.400 1.00 10.00 H new ATOM 804 N GLY A 52 -5.419 -4.821 1.536 1.00 10.00 N ATOM 805 CA GLY A 52 -6.419 -4.482 0.539 1.00 10.00 C ATOM 806 C GLY A 52 -7.520 -3.548 1.037 1.00 10.00 C ATOM 807 O GLY A 52 -8.644 -3.638 0.554 1.00 10.00 O ATOM 0 H GLY A 52 -4.475 -4.533 1.277 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.922 -4.016 -0.312 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.877 -5.402 0.175 1.00 10.00 H new ATOM 811 N ASP A 53 -7.194 -2.608 1.932 1.00 10.00 N ATOM 812 CA ASP A 53 -8.087 -1.505 2.267 1.00 10.00 C ATOM 813 C ASP A 53 -7.292 -0.377 2.922 1.00 10.00 C ATOM 814 O ASP A 53 -7.119 -0.352 4.141 1.00 10.00 O ATOM 815 CB ASP A 53 -9.240 -1.958 3.174 1.00 10.00 C ATOM 816 CG ASP A 53 -10.247 -0.832 3.399 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.021 0.273 2.853 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.240 -1.103 4.107 1.00 10.00 O ATOM 0 H ASP A 53 -6.309 -2.595 2.439 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.534 -1.139 1.343 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.743 -2.814 2.725 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.842 -2.289 4.133 1.00 10.00 H new ATOM 823 N ALA A 54 -6.772 0.551 2.113 1.00 10.00 N ATOM 824 CA ALA A 54 -6.057 1.699 2.649 1.00 10.00 C ATOM 825 C ALA A 54 -6.314 2.976 1.869 1.00 10.00 C ATOM 826 O ALA A 54 -5.601 3.955 2.076 1.00 10.00 O ATOM 827 CB ALA A 54 -4.566 1.394 2.672 1.00 10.00 C ATOM 0 H ALA A 54 -6.835 0.526 1.095 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.428 1.872 3.659 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.025 2.251 3.073 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.382 0.523 3.301 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.221 1.189 1.659 1.00 10.00 H new ATOM 833 N THR A 55 -7.309 2.998 0.982 1.00 10.00 N ATOM 834 CA THR A 55 -7.529 4.158 0.138 1.00 10.00 C ATOM 835 C THR A 55 -7.822 5.382 1.005 1.00 10.00 C ATOM 836 O THR A 55 -7.095 6.373 0.943 1.00 10.00 O ATOM 837 CB THR A 55 -8.627 3.852 -0.886 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.235 2.754 -1.691 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.825 5.052 -1.808 1.00 10.00 C ATOM 0 H THR A 55 -7.966 2.231 0.835 1.00 10.00 H new ATOM 0 HA THR A 55 -6.631 4.393 -0.433 1.00 10.00 H new ATOM 0 HB THR A 55 -9.548 3.627 -0.348 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.523 2.255 -1.239 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.607 4.828 -2.534 1.00 10.00 H new ATOM 0 HG22 THR A 55 -9.116 5.921 -1.217 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.894 5.266 -2.332 1.00 10.00 H new ATOM 847 N ALA A 56 -8.856 5.282 1.845 1.00 10.00 N ATOM 848 CA ALA A 56 -9.260 6.367 2.725 1.00 10.00 C ATOM 849 C ALA A 56 -8.113 6.764 3.650 1.00 10.00 C ATOM 850 O ALA A 56 -7.840 7.942 3.832 1.00 10.00 O ATOM 851 CB ALA A 56 -10.500 5.956 3.522 1.00 10.00 C ATOM 0 H ALA A 56 -9.432 4.445 1.929 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.513 7.239 2.122 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.797 6.773 4.179 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.315 5.728 2.835 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.272 5.074 4.120 1.00 10.00 H new ATOM 857 N ASN A 57 -7.416 5.784 4.229 1.00 10.00 N ATOM 858 CA ASN A 57 -6.302 6.061 5.128 1.00 10.00 C ATOM 859 C ASN A 57 -5.219 6.864 4.396 1.00 10.00 C ATOM 860 O ASN A 57 -4.777 7.911 4.870 1.00 10.00 O ATOM 861 CB ASN A 57 -5.759 4.747 5.709 1.00 10.00 C ATOM 862 CG ASN A 57 -6.754 4.091 6.667 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.076 4.654 7.706 1.00 10.00 O ATOM 864 ND2 ASN A 57 -7.258 2.900 6.344 1.00 10.00 N ATOM 0 H ASN A 57 -7.606 4.792 4.089 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.647 6.670 5.963 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.530 4.058 4.896 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.824 4.942 6.234 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.924 2.442 6.966 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -6.978 2.447 5.474 1.00 10.00 H new ATOM 871 N PHE A 58 -4.802 6.380 3.224 1.00 10.00 N ATOM 872 CA PHE A 58 -3.808 7.033 2.383 1.00 10.00 C ATOM 873 C PHE A 58 -4.187 8.482 2.076 1.00 10.00 C ATOM 874 O PHE A 58 -3.382 9.390 2.304 1.00 10.00 O ATOM 875 CB PHE A 58 -3.636 6.234 1.089 1.00 10.00 C ATOM 876 CG PHE A 58 -2.660 6.843 0.103 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.278 6.661 0.287 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.130 7.519 -1.039 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.369 7.125 -0.679 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.220 7.984 -2.005 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.840 7.779 -1.830 1.00 10.00 C ATOM 0 H PHE A 58 -5.154 5.508 2.830 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.863 7.059 2.925 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.300 5.228 1.339 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.608 6.135 0.606 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.914 6.163 1.174 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.189 7.680 -1.173 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.692 6.979 -0.537 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.582 8.499 -2.883 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.143 8.124 -2.579 1.00 10.00 H new ATOM 891 N GLU A 59 -5.388 8.700 1.527 1.00 10.00 N ATOM 892 CA GLU A 59 -5.810 10.032 1.118 1.00 10.00 C ATOM 893 C GLU A 59 -6.040 10.944 2.328 1.00 10.00 C ATOM 894 O GLU A 59 -5.641 12.106 2.304 1.00 10.00 O ATOM 895 CB GLU A 59 -6.976 9.955 0.125 1.00 10.00 C ATOM 896 CG GLU A 59 -8.270 9.348 0.681 1.00 10.00 C ATOM 897 CD GLU A 59 -9.218 10.339 1.347 1.00 10.00 C ATOM 898 OE1 GLU A 59 -8.880 11.541 1.374 1.00 10.00 O ATOM 899 OE2 GLU A 59 -10.280 9.862 1.799 1.00 10.00 O ATOM 0 H GLU A 59 -6.079 7.969 1.359 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.002 10.514 0.567 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.191 10.961 -0.236 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.660 9.368 -0.737 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.800 8.854 -0.133 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.009 8.577 1.405 1.00 10.00 H new ATOM 906 N ALA A 60 -6.597 10.391 3.410 1.00 10.00 N ATOM 907 CA ALA A 60 -6.783 11.092 4.674 1.00 10.00 C ATOM 908 C ALA A 60 -5.456 11.641 5.197 1.00 10.00 C ATOM 909 O ALA A 60 -5.391 12.799 5.605 1.00 10.00 O ATOM 910 CB ALA A 60 -7.435 10.176 5.714 1.00 10.00 C ATOM 0 H ALA A 60 -6.935 9.429 3.427 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.450 11.935 4.494 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.564 10.721 6.649 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.408 9.846 5.349 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.798 9.308 5.885 1.00 10.00 H new ATOM 916 N VAL A 61 -4.397 10.824 5.194 1.00 10.00 N ATOM 917 CA VAL A 61 -3.061 11.331 5.497 1.00 10.00 C ATOM 918 C VAL A 61 -2.671 12.379 4.449 1.00 10.00 C ATOM 919 O VAL A 61 -2.229 13.473 4.794 1.00 10.00 O ATOM 920 CB VAL A 61 -2.044 10.180 5.565 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.615 10.712 5.732 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.343 9.259 6.755 1.00 10.00 C ATOM 0 H VAL A 61 -4.440 9.826 4.988 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.063 11.808 6.477 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.128 9.628 4.629 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.082 9.875 5.777 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.363 11.349 4.884 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.547 11.290 6.653 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.611 8.452 6.783 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.288 9.831 7.681 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.343 8.838 6.647 1.00 10.00 H new ATOM 932 N GLY A 62 -2.829 12.033 3.169 1.00 10.00 N ATOM 933 CA GLY A 62 -2.451 12.887 2.057 1.00 10.00 C ATOM 934 C GLY A 62 -0.988 12.646 1.700 1.00 10.00 C ATOM 935 O GLY A 62 -0.178 12.326 2.566 1.00 10.00 O ATOM 0 H GLY A 62 -3.228 11.140 2.880 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.085 12.680 1.195 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.604 13.933 2.321 1.00 10.00 H new ATOM 939 N HIS A 63 -0.660 12.746 0.411 1.00 10.00 N ATOM 940 CA HIS A 63 0.655 12.424 -0.118 1.00 10.00 C ATOM 941 C HIS A 63 0.932 13.359 -1.302 1.00 10.00 C ATOM 942 O HIS A 63 0.051 13.567 -2.140 1.00 10.00 O ATOM 943 CB HIS A 63 0.682 10.939 -0.515 1.00 10.00 C ATOM 944 CG HIS A 63 0.851 9.989 0.654 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.127 9.533 1.514 1.00 10.00 N ATOM 946 CD2 HIS A 63 2.025 9.393 1.025 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.462 8.682 2.378 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.774 8.544 2.108 1.00 10.00 N ATOM 0 H HIS A 63 -1.317 13.059 -0.303 1.00 10.00 H new ATOM 0 HA HIS A 63 1.441 12.574 0.623 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.244 10.696 -1.036 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.496 10.777 -1.221 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.986 9.552 0.559 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.052 8.177 3.182 1.00 10.00 H new ATOM 0 HE2 HIS A 63 2.444 7.946 2.592 1.00 10.00 H new ATOM 956 N SER A 64 2.121 13.969 -1.340 1.00 10.00 N ATOM 957 CA SER A 64 2.496 14.973 -2.331 1.00 10.00 C ATOM 958 C SER A 64 2.710 14.366 -3.725 1.00 10.00 C ATOM 959 O SER A 64 2.613 13.157 -3.915 1.00 10.00 O ATOM 960 CB SER A 64 3.737 15.722 -1.823 1.00 10.00 C ATOM 961 OG SER A 64 3.405 16.440 -0.650 1.00 10.00 O ATOM 0 H SER A 64 2.862 13.772 -0.667 1.00 10.00 H new ATOM 0 HA SER A 64 1.676 15.681 -2.452 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.541 15.016 -1.615 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.102 16.405 -2.590 1.00 10.00 H new ATOM 0 HG SER A 64 4.196 16.917 -0.324 1.00 10.00 H new ATOM 967 N THR A 65 2.986 15.212 -4.723 1.00 10.00 N ATOM 968 CA THR A 65 3.235 14.825 -6.106 1.00 10.00 C ATOM 969 C THR A 65 4.332 13.767 -6.193 1.00 10.00 C ATOM 970 O THR A 65 4.113 12.689 -6.737 1.00 10.00 O ATOM 971 CB THR A 65 3.654 16.086 -6.874 1.00 10.00 C ATOM 972 OG1 THR A 65 4.506 16.851 -6.036 1.00 10.00 O ATOM 973 CG2 THR A 65 2.442 16.945 -7.240 1.00 10.00 C ATOM 0 H THR A 65 3.043 16.220 -4.579 1.00 10.00 H new ATOM 0 HA THR A 65 2.332 14.392 -6.537 1.00 10.00 H new ATOM 0 HB THR A 65 4.156 15.785 -7.794 1.00 10.00 H new ATOM 0 HG1 THR A 65 4.787 17.662 -6.509 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.774 17.830 -7.783 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.763 16.368 -7.868 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.924 17.250 -6.331 1.00 10.00 H new ATOM 981 N ASP A 66 5.504 14.088 -5.644 1.00 10.00 N ATOM 982 CA ASP A 66 6.642 13.182 -5.561 1.00 10.00 C ATOM 983 C ASP A 66 6.187 11.808 -5.084 1.00 10.00 C ATOM 984 O ASP A 66 6.351 10.803 -5.760 1.00 10.00 O ATOM 985 CB ASP A 66 7.649 13.766 -4.564 1.00 10.00 C ATOM 986 CG ASP A 66 8.943 12.963 -4.498 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.173 12.157 -5.423 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.684 13.179 -3.517 1.00 10.00 O ATOM 0 H ASP A 66 5.689 15.005 -5.237 1.00 10.00 H new ATOM 0 HA ASP A 66 7.100 13.072 -6.544 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.878 14.794 -4.845 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.196 13.799 -3.573 1.00 10.00 H new ATOM 993 N ALA A 67 5.527 11.796 -3.931 1.00 10.00 N ATOM 994 CA ALA A 67 4.995 10.593 -3.308 1.00 10.00 C ATOM 995 C ALA A 67 4.020 9.858 -4.234 1.00 10.00 C ATOM 996 O ALA A 67 4.101 8.639 -4.367 1.00 10.00 O ATOM 997 CB ALA A 67 4.337 10.940 -1.973 1.00 10.00 C ATOM 0 H ALA A 67 5.344 12.643 -3.393 1.00 10.00 H new ATOM 0 HA ALA A 67 5.826 9.913 -3.120 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.942 10.033 -1.515 1.00 10.00 H new ATOM 0 HB2 ALA A 67 5.076 11.390 -1.309 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.523 11.645 -2.141 1.00 10.00 H new ATOM 1003 N ARG A 68 3.111 10.596 -4.877 1.00 10.00 N ATOM 1004 CA ARG A 68 2.164 10.086 -5.866 1.00 10.00 C ATOM 1005 C ARG A 68 2.906 9.407 -7.020 1.00 10.00 C ATOM 1006 O ARG A 68 2.479 8.366 -7.519 1.00 10.00 O ATOM 1007 CB ARG A 68 1.306 11.252 -6.397 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.130 11.266 -5.864 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.649 12.709 -5.819 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.119 12.765 -5.768 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.831 13.887 -5.569 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -2.210 15.018 -5.217 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.159 13.877 -5.736 1.00 10.00 N ATOM 0 H ARG A 68 3.013 11.598 -4.716 1.00 10.00 H new ATOM 0 HA ARG A 68 1.519 9.345 -5.394 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.789 12.193 -6.134 1.00 10.00 H new ATOM 0 HB3 ARG A 68 1.278 11.202 -7.485 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.771 10.658 -6.502 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.163 10.826 -4.867 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.236 13.216 -4.946 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.296 13.249 -6.698 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.632 11.892 -5.892 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.197 15.028 -5.100 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -2.750 15.870 -5.066 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.632 13.017 -6.015 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.698 14.729 -5.585 1.00 10.00 H new ATOM 1027 N GLU A 69 4.007 10.008 -7.467 1.00 10.00 N ATOM 1028 CA GLU A 69 4.777 9.485 -8.581 1.00 10.00 C ATOM 1029 C GLU A 69 5.529 8.241 -8.129 1.00 10.00 C ATOM 1030 O GLU A 69 5.497 7.196 -8.775 1.00 10.00 O ATOM 1031 CB GLU A 69 5.689 10.594 -9.104 1.00 10.00 C ATOM 1032 CG GLU A 69 4.953 11.399 -10.181 1.00 10.00 C ATOM 1033 CD GLU A 69 4.836 10.620 -11.490 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.849 10.587 -12.220 1.00 10.00 O ATOM 1035 OE2 GLU A 69 3.748 10.048 -11.725 1.00 10.00 O ATOM 0 H GLU A 69 4.384 10.867 -7.066 1.00 10.00 H new ATOM 0 HA GLU A 69 4.136 9.177 -9.407 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.987 11.250 -8.286 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.602 10.164 -9.517 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.957 11.660 -9.823 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.482 12.335 -10.361 1.00 10.00 H new ATOM 1042 N LEU A 70 6.156 8.339 -6.963 1.00 10.00 N ATOM 1043 CA LEU A 70 6.835 7.254 -6.299 1.00 10.00 C ATOM 1044 C LEU A 70 5.894 6.051 -6.214 1.00 10.00 C ATOM 1045 O LEU A 70 6.251 4.965 -6.655 1.00 10.00 O ATOM 1046 CB LEU A 70 7.351 7.765 -4.950 1.00 10.00 C ATOM 1047 CG LEU A 70 8.258 6.845 -4.122 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.608 5.526 -4.786 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.508 7.580 -3.647 1.00 10.00 C ATOM 0 H LEU A 70 6.202 9.214 -6.441 1.00 10.00 H new ATOM 0 HA LEU A 70 7.707 6.905 -6.852 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.895 8.692 -5.132 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.486 8.018 -4.337 1.00 10.00 H new ATOM 0 HG LEU A 70 7.660 6.568 -3.254 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.252 4.945 -4.125 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.695 4.966 -4.987 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.130 5.718 -5.724 1.00 10.00 H new ATOM 0 HD21 LEU A 70 10.130 6.901 -3.063 1.00 10.00 H new ATOM 0 HD22 LEU A 70 10.071 7.936 -4.510 1.00 10.00 H new ATOM 0 HD23 LEU A 70 9.218 8.429 -3.028 1.00 10.00 H new ATOM 1061 N SER A 71 4.668 6.244 -5.724 1.00 10.00 N ATOM 1062 CA SER A 71 3.618 5.228 -5.768 1.00 10.00 C ATOM 1063 C SER A 71 3.649 4.451 -7.090 1.00 10.00 C ATOM 1064 O SER A 71 3.698 3.225 -7.071 1.00 10.00 O ATOM 1065 CB SER A 71 2.218 5.822 -5.555 1.00 10.00 C ATOM 1066 OG SER A 71 2.158 6.744 -4.486 1.00 10.00 O ATOM 0 H SER A 71 4.375 7.116 -5.283 1.00 10.00 H new ATOM 0 HA SER A 71 3.824 4.544 -4.944 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.898 6.318 -6.471 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.512 5.013 -5.367 1.00 10.00 H new ATOM 0 HG SER A 71 2.807 7.463 -4.637 1.00 10.00 H new ATOM 1072 N LYS A 72 3.670 5.136 -8.242 1.00 10.00 N ATOM 1073 CA LYS A 72 3.706 4.464 -9.537 1.00 10.00 C ATOM 1074 C LYS A 72 4.891 3.497 -9.658 1.00 10.00 C ATOM 1075 O LYS A 72 4.746 2.413 -10.212 1.00 10.00 O ATOM 1076 CB LYS A 72 3.690 5.459 -10.704 1.00 10.00 C ATOM 1077 CG LYS A 72 2.450 6.369 -10.673 1.00 10.00 C ATOM 1078 CD LYS A 72 1.818 6.475 -12.066 1.00 10.00 C ATOM 1079 CE LYS A 72 1.197 5.134 -12.506 1.00 10.00 C ATOM 1080 NZ LYS A 72 1.644 4.726 -13.854 1.00 10.00 N ATOM 0 H LYS A 72 3.663 6.154 -8.297 1.00 10.00 H new ATOM 0 HA LYS A 72 2.793 3.871 -9.596 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.590 6.073 -10.669 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.714 4.912 -11.646 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.720 5.973 -9.967 1.00 10.00 H new ATOM 0 HG3 LYS A 72 2.730 7.361 -10.319 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.050 7.249 -12.061 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.575 6.782 -12.788 1.00 10.00 H new ATOM 0 HE2 LYS A 72 1.463 4.359 -11.787 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.110 5.218 -12.496 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 1.201 3.820 -14.107 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 1.368 5.452 -14.546 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 2.678 4.619 -13.859 1.00 10.00 H new ATOM 1094 N THR A 73 6.047 3.849 -9.099 1.00 10.00 N ATOM 1095 CA THR A 73 7.237 3.000 -9.079 1.00 10.00 C ATOM 1096 C THR A 73 7.024 1.723 -8.249 1.00 10.00 C ATOM 1097 O THR A 73 7.781 0.767 -8.396 1.00 10.00 O ATOM 1098 CB THR A 73 8.439 3.833 -8.598 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.596 4.943 -9.463 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.759 3.060 -8.550 1.00 10.00 C ATOM 0 H THR A 73 6.186 4.749 -8.639 1.00 10.00 H new ATOM 0 HA THR A 73 7.444 2.649 -10.090 1.00 10.00 H new ATOM 0 HB THR A 73 8.218 4.134 -7.574 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.358 5.483 -9.167 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.554 3.719 -8.201 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.662 2.216 -7.867 1.00 10.00 H new ATOM 0 HG23 THR A 73 10.003 2.694 -9.547 1.00 10.00 H new ATOM 1108 N PHE A 74 5.985 1.686 -7.410 1.00 10.00 N ATOM 1109 CA PHE A 74 5.606 0.538 -6.600 1.00 10.00 C ATOM 1110 C PHE A 74 4.305 -0.081 -7.107 1.00 10.00 C ATOM 1111 O PHE A 74 3.781 -1.005 -6.479 1.00 10.00 O ATOM 1112 CB PHE A 74 5.446 0.988 -5.142 1.00 10.00 C ATOM 1113 CG PHE A 74 6.752 1.229 -4.416 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.662 0.166 -4.260 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.995 2.457 -3.773 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.847 0.353 -3.532 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.157 2.625 -3.000 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.100 1.588 -2.915 1.00 10.00 C ATOM 0 H PHE A 74 5.366 2.486 -7.276 1.00 10.00 H new ATOM 0 HA PHE A 74 6.386 -0.221 -6.669 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.857 1.905 -5.120 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.878 0.231 -4.601 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.447 -0.796 -4.702 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.290 3.269 -3.873 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.563 -0.451 -3.447 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.325 3.552 -2.471 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.022 1.741 -2.374 1.00 10.00 H new ATOM 1128 N ILE A 75 3.759 0.426 -8.218 1.00 10.00 N ATOM 1129 CA ILE A 75 2.550 -0.139 -8.786 1.00 10.00 C ATOM 1130 C ILE A 75 2.885 -1.548 -9.277 1.00 10.00 C ATOM 1131 O ILE A 75 3.868 -1.748 -9.988 1.00 10.00 O ATOM 1132 CB ILE A 75 1.995 0.790 -9.887 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.461 0.844 -9.934 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.559 0.481 -11.281 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.168 -0.517 -10.173 1.00 10.00 C ATOM 0 H ILE A 75 4.139 1.221 -8.732 1.00 10.00 H new ATOM 0 HA ILE A 75 1.753 -0.219 -8.047 1.00 10.00 H new ATOM 0 HB ILE A 75 2.346 1.780 -9.596 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.087 1.252 -8.995 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.150 1.527 -10.725 1.00 10.00 H new ATOM 0 HG21 ILE A 75 2.129 1.169 -12.008 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.643 0.597 -11.269 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.307 -0.543 -11.557 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.253 -0.417 -10.196 1.00 10.00 H new ATOM 0 HD12 ILE A 75 0.180 -0.917 -11.125 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.117 -1.196 -9.369 1.00 10.00 H new ATOM 1147 N ILE A 76 2.069 -2.521 -8.888 1.00 10.00 N ATOM 1148 CA ILE A 76 2.153 -3.884 -9.383 1.00 10.00 C ATOM 1149 C ILE A 76 0.973 -4.158 -10.318 1.00 10.00 C ATOM 1150 O ILE A 76 1.134 -4.801 -11.353 1.00 10.00 O ATOM 1151 CB ILE A 76 2.241 -4.857 -8.199 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.175 -4.551 -7.131 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.650 -4.784 -7.591 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.081 -5.683 -6.121 1.00 10.00 C ATOM 0 H ILE A 76 1.320 -2.380 -8.210 1.00 10.00 H new ATOM 0 HA ILE A 76 3.059 -4.031 -9.971 1.00 10.00 H new ATOM 0 HB ILE A 76 2.049 -5.866 -8.564 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.423 -3.621 -6.619 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.207 -4.403 -7.609 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.719 -5.473 -6.749 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.387 -5.058 -8.346 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.845 -3.769 -7.246 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.322 -5.444 -5.376 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.809 -6.606 -6.633 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.045 -5.812 -5.628 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.211 -3.640 -9.982 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.399 -3.819 -10.785 1.00 10.00 C ATOM 1168 C GLY A 77 -2.605 -3.223 -10.079 1.00 10.00 C ATOM 1169 O GLY A 77 -2.469 -2.279 -9.303 1.00 10.00 O ATOM 0 H GLY A 77 -0.362 -3.084 -9.140 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -1.265 -3.343 -11.756 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.565 -4.880 -10.970 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.784 -3.762 -10.371 1.00 10.00 N ATOM 1174 CA GLU A 78 -5.057 -3.149 -10.043 1.00 10.00 C ATOM 1175 C GLU A 78 -5.982 -4.125 -9.333 1.00 10.00 C ATOM 1176 O GLU A 78 -5.763 -5.334 -9.303 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.698 -2.590 -11.320 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.266 -1.135 -11.510 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.861 -0.465 -12.738 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -6.637 -1.130 -13.454 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.529 0.731 -12.914 1.00 10.00 O ATOM 0 H GLU A 78 -3.878 -4.656 -10.853 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.883 -2.327 -9.349 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.397 -3.186 -12.182 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.784 -2.653 -11.252 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.549 -0.565 -10.625 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.179 -1.096 -11.579 1.00 10.00 H new ATOM 1188 N LEU A 79 -7.024 -3.561 -8.739 1.00 10.00 N ATOM 1189 CA LEU A 79 -8.049 -4.309 -8.050 1.00 10.00 C ATOM 1190 C LEU A 79 -8.857 -5.110 -9.064 1.00 10.00 C ATOM 1191 O LEU A 79 -9.299 -4.572 -10.082 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.941 -3.319 -7.308 1.00 10.00 C ATOM 1193 CG LEU A 79 -10.174 -3.986 -6.691 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.794 -5.059 -5.664 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.020 -2.894 -6.057 1.00 10.00 C ATOM 0 H LEU A 79 -7.177 -2.553 -8.726 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.609 -5.006 -7.337 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.363 -2.834 -6.522 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.262 -2.537 -7.997 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.738 -4.502 -7.468 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.699 -5.505 -5.252 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -9.197 -5.831 -6.149 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.216 -4.604 -4.860 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.909 -3.337 -5.607 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.440 -2.385 -5.288 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.319 -2.176 -6.821 1.00 10.00 H new ATOM 1207 N HIS A 80 -9.090 -6.384 -8.764 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.902 -7.256 -9.595 1.00 10.00 C ATOM 1209 C HIS A 80 -11.293 -6.658 -9.803 1.00 10.00 C ATOM 1210 O HIS A 80 -11.931 -6.238 -8.839 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.988 -8.644 -8.958 1.00 10.00 C ATOM 1212 CG HIS A 80 -10.230 -9.750 -9.943 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.440 -10.325 -10.232 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -9.273 -10.413 -10.665 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -11.226 -11.296 -11.129 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.920 -11.386 -11.432 1.00 10.00 N ATOM 0 H HIS A 80 -8.717 -6.840 -7.931 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.434 -7.353 -10.575 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -9.061 -8.845 -8.421 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.790 -8.646 -8.220 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -8.211 -10.219 -10.645 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.998 -11.922 -11.552 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.487 -12.034 -12.090 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.800 -6.632 -11.043 1.00 10.00 N ATOM 1225 CA PRO A 81 -13.117 -6.090 -11.330 1.00 10.00 C ATOM 1226 C PRO A 81 -14.246 -6.887 -10.664 1.00 10.00 C ATOM 1227 O PRO A 81 -15.375 -6.411 -10.652 1.00 10.00 O ATOM 1228 CB PRO A 81 -13.228 -6.080 -12.856 1.00 10.00 C ATOM 1229 CG PRO A 81 -12.287 -7.206 -13.285 1.00 10.00 C ATOM 1230 CD PRO A 81 -11.167 -7.126 -12.255 1.00 10.00 C ATOM 0 HA PRO A 81 -13.228 -5.088 -10.916 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -14.251 -6.263 -13.186 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.925 -5.121 -13.275 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.784 -8.176 -13.267 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.915 -7.057 -14.299 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.711 -8.103 -12.092 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -10.374 -6.456 -12.587 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.956 -8.063 -10.090 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.938 -8.813 -9.307 1.00 10.00 C ATOM 1240 C ASP A 82 -15.333 -8.032 -8.049 1.00 10.00 C ATOM 1241 O ASP A 82 -16.482 -8.070 -7.619 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.359 -10.183 -8.934 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.354 -11.026 -8.152 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.321 -11.490 -8.792 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.089 -11.235 -6.950 1.00 10.00 O ATOM 0 H ASP A 82 -13.044 -8.514 -10.156 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.836 -8.959 -9.907 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -14.068 -10.713 -9.841 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.455 -10.046 -8.341 1.00 10.00 H new ATOM 1250 N ASP A 83 -14.363 -7.318 -7.468 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.550 -6.595 -6.215 1.00 10.00 C ATOM 1252 C ASP A 83 -15.329 -5.283 -6.402 1.00 10.00 C ATOM 1253 O ASP A 83 -15.954 -4.794 -5.464 1.00 10.00 O ATOM 1254 CB ASP A 83 -13.175 -6.329 -5.599 1.00 10.00 C ATOM 1255 CG ASP A 83 -13.299 -5.773 -4.188 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.640 -6.582 -3.299 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -13.000 -4.573 -4.016 1.00 10.00 O ATOM 0 H ASP A 83 -13.425 -7.228 -7.858 1.00 10.00 H new ATOM 0 HA ASP A 83 -15.152 -7.210 -5.546 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.598 -7.254 -5.578 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.625 -5.624 -6.223 1.00 10.00 H new ATOM 1262 N ARG A 84 -15.239 -4.692 -7.599 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.767 -3.362 -7.885 1.00 10.00 C ATOM 1264 C ARG A 84 -17.297 -3.314 -7.836 1.00 10.00 C ATOM 1265 O ARG A 84 -17.923 -4.292 -8.300 1.00 10.00 O ATOM 1266 CB ARG A 84 -15.277 -2.881 -9.264 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.611 -1.506 -9.204 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.199 -1.607 -8.614 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.257 -2.350 -9.475 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.615 -1.830 -10.535 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.952 -0.614 -10.977 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.642 -2.511 -11.149 1.00 10.00 N ATOM 0 H ARG A 84 -14.791 -5.133 -8.403 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.394 -2.698 -7.105 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.570 -3.606 -9.667 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -16.121 -2.842 -9.952 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.561 -1.078 -10.205 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.215 -0.831 -8.598 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.811 -0.603 -8.445 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.254 -2.095 -7.641 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.081 -3.329 -9.249 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.691 -0.088 -10.510 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.470 -0.212 -11.781 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.378 -3.438 -10.814 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.163 -2.104 -11.952 1.00 10.00 H new