USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 788 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 62 TYR OH : rot 180:sc= -0.0782 USER MOD Set 1.2: A 63 MET CE :methyl -176:sc= -1.69 (180deg=-1.42) USER MOD Set 2.1: A 49 GLN : amide:sc= -0.303 K(o=-2.3,f=-3.7!) USER MOD Set 2.2: A 50 ASN :FLIP amide:sc= -2.03! C(o=-5.5!,f=-2.3!) USER MOD Set 3.1: A 10 SER OG : rot 135:sc= -1.96! USER MOD Set 3.2: A 16 THR OG1 : rot -103:sc= 0.989 USER MOD Set 3.3: A 84 TYR OH : rot -114:sc= 2.77 USER MOD Set 4.1: A 5 HIS : no HE2:sc= -3.93! C(o=-4.8!,f=-13!) USER MOD Set 4.2: A 7 TYR OH : rot 180:sc= -0.865 USER MOD Single : A 4 LYS NZ :NH3+ 164:sc=-0.00399 (180deg=-0.0842) USER MOD Single : A 11 SER OG : rot -175:sc= -1.05! USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 62:sc= -3.66! USER MOD Single : A 17 SER OG : rot 180:sc= 0.141 USER MOD Single : A 21 SER OG : rot 75:sc= 0.26 USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.688 (180deg=-0.991) USER MOD Single : A 23 MET CE :methyl 167:sc= -7.39! (180deg=-8.24!) USER MOD Single : A 26 GLN : amide:sc= -5.07! C(o=-5.1!,f=-14!) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= -0.642 (180deg=-3.43) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -4.14! C(o=-5.3!,f=-4.1!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.857 F(o=-1.6,f=-0.86) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= -0.263 (180deg=-0.282) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 4 6.021 9.886 6.806 1.00 0.00 N ATOM 56 CA LYS A 4 4.912 9.410 5.950 1.00 0.00 C ATOM 57 C LYS A 4 4.645 7.921 6.036 1.00 0.00 C ATOM 58 O LYS A 4 5.494 7.060 6.184 1.00 0.00 O ATOM 59 CB LYS A 4 5.040 9.903 4.514 1.00 0.00 C ATOM 60 CG LYS A 4 4.907 11.456 4.443 1.00 0.00 C ATOM 61 CD LYS A 4 4.125 11.922 3.190 1.00 0.00 C ATOM 62 CE LYS A 4 4.797 13.214 2.664 1.00 0.00 C ATOM 63 NZ LYS A 4 6.045 12.868 1.917 1.00 0.00 N ATOM 0 HA LYS A 4 4.017 9.870 6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.003 9.598 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.270 9.440 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.402 11.817 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.901 11.904 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.135 11.147 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.081 12.109 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.110 13.753 2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.033 13.877 3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.344 13.683 1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.798 12.625 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.863 12.055 1.294 1.00 0.00 H new ATOM 77 N HIS A 5 3.314 7.582 6.084 1.00 0.00 N ATOM 78 CA HIS A 5 2.789 6.232 5.888 1.00 0.00 C ATOM 79 C HIS A 5 2.689 5.815 4.420 1.00 0.00 C ATOM 80 O HIS A 5 2.260 6.610 3.565 1.00 0.00 O ATOM 81 CB HIS A 5 1.405 6.091 6.595 1.00 0.00 C ATOM 82 CG HIS A 5 1.515 6.205 8.123 1.00 0.00 C ATOM 83 ND1 HIS A 5 0.528 6.464 8.990 1.00 0.00 N ATOM 84 CD2 HIS A 5 2.674 6.161 8.829 1.00 0.00 C ATOM 85 CE1 HIS A 5 1.070 6.698 10.214 1.00 0.00 C ATOM 86 NE2 HIS A 5 2.377 6.427 10.111 1.00 0.00 N ATOM 0 H HIS A 5 2.583 8.270 6.265 1.00 0.00 H new ATOM 0 HA HIS A 5 3.510 5.551 6.341 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.730 6.862 6.223 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.964 5.129 6.336 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -0.467 6.483 8.768 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.656 5.950 8.432 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.548 7.036 11.097 1.00 0.00 H new ATOM 94 N ILE A 6 3.069 4.565 4.140 1.00 0.00 N ATOM 95 CA ILE A 6 2.741 3.793 2.892 1.00 0.00 C ATOM 96 C ILE A 6 2.026 2.487 3.285 1.00 0.00 C ATOM 97 O ILE A 6 2.588 1.442 3.532 1.00 0.00 O ATOM 98 CB ILE A 6 3.929 3.681 1.946 1.00 0.00 C ATOM 99 CG1 ILE A 6 4.227 5.046 1.235 1.00 0.00 C ATOM 100 CG2 ILE A 6 3.956 2.502 1.036 1.00 0.00 C ATOM 101 CD1 ILE A 6 5.646 5.225 0.747 1.00 0.00 C ATOM 0 H ILE A 6 3.638 4.022 4.790 1.00 0.00 H new ATOM 0 HA ILE A 6 2.028 4.338 2.273 1.00 0.00 H new ATOM 0 HB ILE A 6 4.772 3.456 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.553 5.149 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.994 5.855 1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.852 2.541 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.964 1.586 1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.072 2.515 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.747 6.200 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.332 5.161 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.884 4.443 0.026 1.00 0.00 H new ATOM 113 N TYR A 7 0.665 2.617 3.369 1.00 0.00 N ATOM 114 CA TYR A 7 -0.296 1.691 3.894 1.00 0.00 C ATOM 115 C TYR A 7 -1.009 0.904 2.733 1.00 0.00 C ATOM 116 O TYR A 7 -1.061 1.310 1.584 1.00 0.00 O ATOM 117 CB TYR A 7 -1.418 2.467 4.701 1.00 0.00 C ATOM 118 CG TYR A 7 -1.026 2.715 6.155 1.00 0.00 C ATOM 119 CD1 TYR A 7 0.304 2.957 6.511 1.00 0.00 C ATOM 120 CD2 TYR A 7 -2.052 2.679 7.114 1.00 0.00 C ATOM 121 CE1 TYR A 7 0.579 3.433 7.806 1.00 0.00 C ATOM 122 CE2 TYR A 7 -1.799 3.265 8.367 1.00 0.00 C ATOM 123 CZ TYR A 7 -0.471 3.606 8.709 1.00 0.00 C ATOM 124 OH TYR A 7 -0.229 4.086 9.952 1.00 0.00 O ATOM 0 H TYR A 7 0.208 3.464 3.030 1.00 0.00 H new ATOM 0 HA TYR A 7 0.240 0.998 4.543 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.617 3.422 4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.345 1.894 4.671 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.104 2.782 5.807 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.003 2.217 6.896 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.593 3.662 8.099 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.608 3.452 9.058 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.071 4.145 10.450 1.00 0.00 H new ATOM 134 N LEU A 8 -1.496 -0.283 3.174 1.00 0.00 N ATOM 135 CA LEU A 8 -1.807 -1.451 2.222 1.00 0.00 C ATOM 136 C LEU A 8 -2.775 -2.367 2.944 1.00 0.00 C ATOM 137 O LEU A 8 -2.679 -2.590 4.147 1.00 0.00 O ATOM 138 CB LEU A 8 -0.420 -2.059 2.068 1.00 0.00 C ATOM 139 CG LEU A 8 -0.019 -3.321 1.416 1.00 0.00 C ATOM 140 CD1 LEU A 8 0.377 -3.201 -0.102 1.00 0.00 C ATOM 141 CD2 LEU A 8 1.148 -4.036 2.201 1.00 0.00 C ATOM 0 H LEU A 8 -1.688 -0.484 4.155 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.266 -1.215 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.166 -1.289 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.037 -2.139 3.086 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.927 -3.924 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.655 -4.183 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.470 -2.817 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.221 -2.520 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.416 -4.961 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.016 -3.379 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.819 -4.263 3.215 1.00 0.00 H new ATOM 153 N PHE A 9 -3.828 -2.892 2.198 1.00 0.00 N ATOM 154 CA PHE A 9 -5.027 -3.551 2.678 1.00 0.00 C ATOM 155 C PHE A 9 -5.353 -4.819 1.913 1.00 0.00 C ATOM 156 O PHE A 9 -6.199 -4.810 1.011 1.00 0.00 O ATOM 157 CB PHE A 9 -6.195 -2.569 2.880 1.00 0.00 C ATOM 158 CG PHE A 9 -5.788 -1.345 3.748 1.00 0.00 C ATOM 159 CD1 PHE A 9 -4.808 -0.465 3.285 1.00 0.00 C ATOM 160 CD2 PHE A 9 -6.442 -1.117 4.953 1.00 0.00 C ATOM 161 CE1 PHE A 9 -4.439 0.648 4.077 1.00 0.00 C ATOM 162 CE2 PHE A 9 -5.878 -0.190 5.868 1.00 0.00 C ATOM 163 CZ PHE A 9 -4.962 0.759 5.384 1.00 0.00 C ATOM 0 H PHE A 9 -3.818 -2.840 1.179 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.817 -3.917 3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.548 -2.222 1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.027 -3.089 3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.335 -0.633 2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.360 -1.634 5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.768 1.400 3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.147 -0.214 6.914 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.656 1.579 6.016 1.00 0.00 H new ATOM 173 N SER A 10 -4.591 -5.914 2.163 1.00 0.00 N ATOM 174 CA SER A 10 -4.682 -7.195 1.509 1.00 0.00 C ATOM 175 C SER A 10 -5.778 -8.143 1.934 1.00 0.00 C ATOM 176 O SER A 10 -6.534 -7.907 2.936 1.00 0.00 O ATOM 177 CB SER A 10 -3.290 -7.899 1.697 1.00 0.00 C ATOM 178 OG SER A 10 -3.437 -9.298 1.759 1.00 0.00 O ATOM 0 H SER A 10 -3.860 -5.900 2.874 1.00 0.00 H new ATOM 0 HA SER A 10 -4.952 -6.969 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.630 -7.635 0.870 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.816 -7.539 2.610 1.00 0.00 H new ATOM 0 HG SER A 10 -2.761 -9.723 1.191 1.00 0.00 H new ATOM 184 N SER A 11 -5.870 -9.295 1.228 1.00 0.00 N ATOM 185 CA SER A 11 -6.417 -10.565 1.750 1.00 0.00 C ATOM 186 C SER A 11 -5.290 -11.543 2.192 1.00 0.00 C ATOM 187 O SER A 11 -5.313 -12.137 3.252 1.00 0.00 O ATOM 188 CB SER A 11 -7.191 -11.246 0.584 1.00 0.00 C ATOM 189 OG SER A 11 -8.521 -11.577 0.997 1.00 0.00 O ATOM 0 H SER A 11 -5.559 -9.366 0.259 1.00 0.00 H new ATOM 0 HA SER A 11 -7.046 -10.347 2.613 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.226 -10.579 -0.277 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.666 -12.147 0.268 1.00 0.00 H new ATOM 0 HG SER A 11 -8.971 -12.074 0.282 1.00 0.00 H new ATOM 195 N ALA A 12 -4.279 -11.639 1.280 1.00 0.00 N ATOM 196 CA ALA A 12 -3.273 -12.721 1.256 1.00 0.00 C ATOM 197 C ALA A 12 -2.128 -12.407 2.220 1.00 0.00 C ATOM 198 O ALA A 12 -1.150 -11.727 1.897 1.00 0.00 O ATOM 199 CB ALA A 12 -2.731 -12.948 -0.168 1.00 0.00 C ATOM 0 H ALA A 12 -4.146 -10.954 0.536 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.761 -13.640 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.993 -13.750 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.552 -13.223 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.264 -12.032 -0.530 1.00 0.00 H new ATOM 205 N GLY A 13 -2.236 -12.920 3.461 1.00 0.00 N ATOM 206 CA GLY A 13 -1.143 -13.148 4.414 1.00 0.00 C ATOM 207 C GLY A 13 -0.100 -14.132 3.818 1.00 0.00 C ATOM 208 O GLY A 13 0.171 -15.204 4.396 1.00 0.00 O ATOM 0 H GLY A 13 -3.140 -13.200 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.661 -12.201 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.542 -13.551 5.345 1.00 0.00 H new ATOM 212 N MET A 14 0.456 -13.782 2.655 1.00 0.00 N ATOM 213 CA MET A 14 1.673 -14.403 2.046 1.00 0.00 C ATOM 214 C MET A 14 2.000 -13.707 0.692 1.00 0.00 C ATOM 215 O MET A 14 1.650 -14.170 -0.378 1.00 0.00 O ATOM 216 CB MET A 14 1.547 -15.897 1.886 1.00 0.00 C ATOM 217 CG MET A 14 2.687 -16.684 2.594 1.00 0.00 C ATOM 218 SD MET A 14 2.183 -17.327 4.250 1.00 0.00 S ATOM 219 CE MET A 14 2.617 -19.052 4.056 1.00 0.00 C ATOM 0 H MET A 14 0.071 -13.034 2.078 1.00 0.00 H new ATOM 0 HA MET A 14 2.504 -14.247 2.734 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.587 -16.220 2.288 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.548 -16.144 0.824 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.994 -17.518 1.963 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.555 -16.035 2.709 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.377 -19.593 4.971 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.054 -19.478 3.225 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.684 -19.138 3.853 1.00 0.00 H new ATOM 229 N SER A 15 2.629 -12.523 0.841 1.00 0.00 N ATOM 230 CA SER A 15 2.851 -11.526 -0.246 1.00 0.00 C ATOM 231 C SER A 15 3.152 -10.138 0.446 1.00 0.00 C ATOM 232 O SER A 15 4.229 -9.595 0.326 1.00 0.00 O ATOM 233 CB SER A 15 1.549 -11.377 -1.022 1.00 0.00 C ATOM 234 OG SER A 15 1.317 -12.422 -1.956 1.00 0.00 O ATOM 0 H SER A 15 3.008 -12.219 1.738 1.00 0.00 H new ATOM 0 HA SER A 15 3.664 -11.834 -0.903 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.718 -11.341 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.559 -10.424 -1.551 1.00 0.00 H new ATOM 0 HG SER A 15 1.248 -13.276 -1.481 1.00 0.00 H new ATOM 240 N THR A 16 2.106 -9.697 1.207 1.00 0.00 N ATOM 241 CA THR A 16 1.981 -8.379 1.851 1.00 0.00 C ATOM 242 C THR A 16 3.094 -8.120 2.901 1.00 0.00 C ATOM 243 O THR A 16 3.785 -7.097 2.886 1.00 0.00 O ATOM 244 CB THR A 16 0.629 -8.187 2.544 1.00 0.00 C ATOM 245 OG1 THR A 16 -0.168 -9.366 2.534 1.00 0.00 O ATOM 246 CG2 THR A 16 -0.079 -6.914 2.174 1.00 0.00 C ATOM 0 H THR A 16 1.296 -10.289 1.388 1.00 0.00 H new ATOM 0 HA THR A 16 2.077 -7.666 1.033 1.00 0.00 H new ATOM 0 HB THR A 16 0.851 -8.027 3.599 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.871 -9.280 1.857 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.027 -6.857 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.542 -6.060 2.445 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.266 -6.901 1.100 1.00 0.00 H new ATOM 254 N SER A 17 3.170 -9.053 3.861 1.00 0.00 N ATOM 255 CA SER A 17 3.883 -8.861 5.136 1.00 0.00 C ATOM 256 C SER A 17 5.361 -8.510 4.867 1.00 0.00 C ATOM 257 O SER A 17 5.849 -7.397 5.083 1.00 0.00 O ATOM 258 CB SER A 17 3.732 -10.088 5.993 1.00 0.00 C ATOM 259 OG SER A 17 2.784 -11.036 5.460 1.00 0.00 O ATOM 0 H SER A 17 2.735 -9.971 3.775 1.00 0.00 H new ATOM 0 HA SER A 17 3.448 -8.025 5.683 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.703 -10.573 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.416 -9.789 6.992 1.00 0.00 H new ATOM 0 HG SER A 17 2.728 -11.812 6.055 1.00 0.00 H new ATOM 265 N LEU A 18 6.117 -9.536 4.353 1.00 0.00 N ATOM 266 CA LEU A 18 7.370 -9.412 3.631 1.00 0.00 C ATOM 267 C LEU A 18 7.535 -8.148 2.832 1.00 0.00 C ATOM 268 O LEU A 18 8.591 -7.469 2.896 1.00 0.00 O ATOM 269 CB LEU A 18 7.680 -10.701 2.917 1.00 0.00 C ATOM 270 CG LEU A 18 6.670 -11.849 2.809 1.00 0.00 C ATOM 271 CD1 LEU A 18 6.509 -12.692 4.066 1.00 0.00 C ATOM 272 CD2 LEU A 18 5.291 -11.303 2.299 1.00 0.00 C ATOM 0 H LEU A 18 5.828 -10.509 4.452 1.00 0.00 H new ATOM 0 HA LEU A 18 8.162 -9.266 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.957 -10.433 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.570 -11.113 3.391 1.00 0.00 H new ATOM 0 HG LEU A 18 7.087 -12.543 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.773 -13.476 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.466 -13.145 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.172 -12.060 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.579 -12.125 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.913 -10.558 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.421 -10.846 1.318 1.00 0.00 H new ATOM 284 N LEU A 19 6.547 -7.737 1.991 1.00 0.00 N ATOM 285 CA LEU A 19 6.552 -6.502 1.166 1.00 0.00 C ATOM 286 C LEU A 19 6.936 -5.318 2.133 1.00 0.00 C ATOM 287 O LEU A 19 7.890 -4.671 1.930 1.00 0.00 O ATOM 288 CB LEU A 19 5.059 -6.270 0.783 1.00 0.00 C ATOM 289 CG LEU A 19 4.411 -7.028 -0.342 1.00 0.00 C ATOM 290 CD1 LEU A 19 3.256 -6.240 -1.048 1.00 0.00 C ATOM 291 CD2 LEU A 19 5.399 -7.606 -1.361 1.00 0.00 C ATOM 0 H LEU A 19 5.693 -8.280 1.866 1.00 0.00 H new ATOM 0 HA LEU A 19 7.220 -6.566 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.468 -6.465 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.951 -5.210 0.554 1.00 0.00 H new ATOM 0 HG LEU A 19 3.952 -7.882 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.836 -6.849 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.477 -6.008 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.650 -5.313 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.850 -8.137 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.973 -6.796 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.077 -8.297 -0.859 1.00 0.00 H new ATOM 303 N VAL A 20 6.046 -5.132 3.162 1.00 0.00 N ATOM 304 CA VAL A 20 6.010 -3.977 4.036 1.00 0.00 C ATOM 305 C VAL A 20 7.465 -3.872 4.665 1.00 0.00 C ATOM 306 O VAL A 20 8.049 -2.828 4.710 1.00 0.00 O ATOM 307 CB VAL A 20 4.930 -4.010 5.052 1.00 0.00 C ATOM 308 CG1 VAL A 20 3.823 -2.910 4.920 1.00 0.00 C ATOM 309 CG2 VAL A 20 4.228 -5.377 5.329 1.00 0.00 C ATOM 0 H VAL A 20 5.326 -5.819 3.387 1.00 0.00 H new ATOM 0 HA VAL A 20 5.757 -3.082 3.468 1.00 0.00 H new ATOM 0 HB VAL A 20 5.556 -3.790 5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.089 -3.035 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.279 -1.923 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.329 -3.005 3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.463 -5.245 6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.765 -5.741 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.965 -6.101 5.675 1.00 0.00 H new ATOM 319 N SER A 21 7.899 -5.050 5.189 1.00 0.00 N ATOM 320 CA SER A 21 9.130 -5.149 6.020 1.00 0.00 C ATOM 321 C SER A 21 10.394 -4.759 5.212 1.00 0.00 C ATOM 322 O SER A 21 11.385 -4.316 5.802 1.00 0.00 O ATOM 323 CB SER A 21 9.253 -6.537 6.588 1.00 0.00 C ATOM 324 OG SER A 21 7.910 -7.144 6.725 1.00 0.00 O ATOM 0 H SER A 21 7.418 -5.939 5.052 1.00 0.00 H new ATOM 0 HA SER A 21 9.048 -4.440 6.844 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.875 -7.152 5.938 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.746 -6.500 7.559 1.00 0.00 H new ATOM 0 HG SER A 21 7.576 -7.403 5.841 1.00 0.00 H new ATOM 330 N LYS A 22 10.312 -4.917 3.880 1.00 0.00 N ATOM 331 CA LYS A 22 11.410 -4.599 2.932 1.00 0.00 C ATOM 332 C LYS A 22 11.087 -3.324 2.097 1.00 0.00 C ATOM 333 O LYS A 22 11.994 -2.635 1.646 1.00 0.00 O ATOM 334 CB LYS A 22 11.802 -5.792 2.107 1.00 0.00 C ATOM 335 CG LYS A 22 11.185 -5.742 0.691 1.00 0.00 C ATOM 336 CD LYS A 22 11.244 -7.129 -0.052 1.00 0.00 C ATOM 337 CE LYS A 22 10.068 -7.975 0.478 1.00 0.00 C ATOM 338 NZ LYS A 22 10.589 -9.049 1.362 1.00 0.00 N ATOM 0 H LYS A 22 9.474 -5.273 3.419 1.00 0.00 H new ATOM 0 HA LYS A 22 12.300 -4.353 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.888 -5.838 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.480 -6.703 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.147 -5.418 0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.711 -4.995 0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.165 -6.992 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.194 -7.628 0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.370 -7.343 1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.515 -8.411 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.908 -9.835 1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.498 -9.392 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.726 -8.673 2.322 1.00 0.00 H new ATOM 352 N MET A 23 9.797 -3.106 1.882 1.00 0.00 N ATOM 353 CA MET A 23 9.206 -1.796 1.508 1.00 0.00 C ATOM 354 C MET A 23 9.692 -0.677 2.462 1.00 0.00 C ATOM 355 O MET A 23 10.100 0.399 2.080 1.00 0.00 O ATOM 356 CB MET A 23 7.655 -1.929 1.601 1.00 0.00 C ATOM 357 CG MET A 23 7.002 -1.792 0.216 1.00 0.00 C ATOM 358 SD MET A 23 6.097 -0.217 -0.081 1.00 0.00 S ATOM 359 CE MET A 23 7.473 0.921 -0.182 1.00 0.00 C ATOM 0 H MET A 23 9.100 -3.846 1.961 1.00 0.00 H new ATOM 0 HA MET A 23 9.514 -1.529 0.497 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.395 -2.895 2.035 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.261 -1.163 2.269 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.777 -1.894 -0.544 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.308 -2.621 0.077 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.129 1.874 -0.585 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.890 1.077 0.813 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.240 0.507 -0.836 1.00 0.00 H new ATOM 369 N ARG A 24 9.555 -0.997 3.789 1.00 0.00 N ATOM 370 CA ARG A 24 10.330 -0.385 4.864 1.00 0.00 C ATOM 371 C ARG A 24 11.834 -0.293 4.608 1.00 0.00 C ATOM 372 O ARG A 24 12.413 0.798 4.629 1.00 0.00 O ATOM 373 CB ARG A 24 10.054 -1.118 6.207 1.00 0.00 C ATOM 374 CG ARG A 24 8.742 -0.628 6.849 1.00 0.00 C ATOM 375 CD ARG A 24 7.780 -1.805 7.109 1.00 0.00 C ATOM 376 NE ARG A 24 6.795 -1.446 8.141 1.00 0.00 N ATOM 377 CZ ARG A 24 6.562 -2.114 9.281 1.00 0.00 C ATOM 378 NH1 ARG A 24 7.242 -3.220 9.648 1.00 0.00 N ATOM 379 NH2 ARG A 24 5.633 -1.649 10.159 1.00 0.00 N ATOM 0 H ARG A 24 8.891 -1.696 4.120 1.00 0.00 H new ATOM 0 HA ARG A 24 9.987 0.648 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.998 -2.193 6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.883 -0.949 6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.960 -0.118 7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.263 0.100 6.195 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.267 -2.074 6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.345 -2.681 7.426 1.00 0.00 H new ATOM 0 HE ARG A 24 6.236 -0.609 7.974 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.978 -3.590 9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.021 -3.686 10.528 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.116 -0.795 9.950 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.453 -2.154 11.027 1.00 0.00 H new ATOM 393 N ALA A 25 12.473 -1.476 4.433 1.00 0.00 N ATOM 394 CA ALA A 25 13.891 -1.570 3.937 1.00 0.00 C ATOM 395 C ALA A 25 14.192 -0.422 2.958 1.00 0.00 C ATOM 396 O ALA A 25 14.934 0.502 3.260 1.00 0.00 O ATOM 397 CB ALA A 25 14.083 -2.917 3.187 1.00 0.00 C ATOM 0 H ALA A 25 12.041 -2.380 4.624 1.00 0.00 H new ATOM 0 HA ALA A 25 14.565 -1.507 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.109 -2.989 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.878 -3.744 3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.397 -2.964 2.342 1.00 0.00 H new ATOM 403 N GLN A 26 13.578 -0.509 1.748 1.00 0.00 N ATOM 404 CA GLN A 26 13.584 0.509 0.706 1.00 0.00 C ATOM 405 C GLN A 26 13.365 1.927 1.356 1.00 0.00 C ATOM 406 O GLN A 26 14.245 2.780 1.307 1.00 0.00 O ATOM 407 CB GLN A 26 12.617 0.218 -0.368 1.00 0.00 C ATOM 408 CG GLN A 26 12.002 -1.128 -0.551 1.00 0.00 C ATOM 409 CD GLN A 26 12.886 -2.310 -0.842 1.00 0.00 C ATOM 410 OE1 GLN A 26 12.488 -3.336 -1.492 1.00 0.00 O ATOM 411 NE2 GLN A 26 14.174 -2.295 -0.454 1.00 0.00 N ATOM 0 H GLN A 26 13.046 -1.336 1.477 1.00 0.00 H new ATOM 0 HA GLN A 26 14.559 0.504 0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.794 0.922 -0.246 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.111 0.465 -1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.438 -1.356 0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.281 -1.050 -1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.540 -1.499 0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.784 -3.080 -0.681 1.00 0.00 H new ATOM 420 N ALA A 27 12.155 2.142 1.913 1.00 0.00 N ATOM 421 CA ALA A 27 11.604 3.444 2.274 1.00 0.00 C ATOM 422 C ALA A 27 12.133 3.956 3.645 1.00 0.00 C ATOM 423 O ALA A 27 11.650 4.914 4.182 1.00 0.00 O ATOM 424 CB ALA A 27 10.097 3.459 2.244 1.00 0.00 C ATOM 0 H ALA A 27 11.517 1.375 2.128 1.00 0.00 H new ATOM 0 HA ALA A 27 11.956 4.135 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.737 4.450 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.751 3.214 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.712 2.723 2.950 1.00 0.00 H new ATOM 430 N GLU A 28 13.094 3.188 4.193 1.00 0.00 N ATOM 431 CA GLU A 28 14.008 3.598 5.253 1.00 0.00 C ATOM 432 C GLU A 28 15.467 3.726 4.766 1.00 0.00 C ATOM 433 O GLU A 28 16.156 4.728 5.056 1.00 0.00 O ATOM 434 CB GLU A 28 13.933 2.639 6.466 1.00 0.00 C ATOM 435 CG GLU A 28 12.542 2.654 7.092 1.00 0.00 C ATOM 436 CD GLU A 28 12.484 2.040 8.499 1.00 0.00 C ATOM 437 OE1 GLU A 28 13.591 2.115 9.125 1.00 0.00 O ATOM 438 OE2 GLU A 28 11.416 1.584 8.943 1.00 0.00 O ATOM 0 H GLU A 28 13.254 2.227 3.890 1.00 0.00 H new ATOM 0 HA GLU A 28 13.681 4.589 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.182 1.626 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.674 2.931 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.188 3.684 7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.856 2.112 6.441 1.00 0.00 H new ATOM 445 N LYS A 29 15.977 2.712 4.083 1.00 0.00 N ATOM 446 CA LYS A 29 17.092 2.801 3.105 1.00 0.00 C ATOM 447 C LYS A 29 17.329 4.273 2.630 1.00 0.00 C ATOM 448 O LYS A 29 18.386 4.803 2.708 1.00 0.00 O ATOM 449 CB LYS A 29 16.637 1.978 1.875 1.00 0.00 C ATOM 450 CG LYS A 29 17.813 1.411 1.076 1.00 0.00 C ATOM 451 CD LYS A 29 18.450 0.143 1.750 1.00 0.00 C ATOM 452 CE LYS A 29 17.267 -0.864 1.935 1.00 0.00 C ATOM 453 NZ LYS A 29 17.010 -1.018 3.372 1.00 0.00 N ATOM 0 H LYS A 29 15.624 1.761 4.187 1.00 0.00 H new ATOM 0 HA LYS A 29 18.015 2.440 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.000 1.158 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.032 2.609 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.474 1.152 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.577 2.181 0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.235 -0.283 1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.906 0.394 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.375 -0.498 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.515 -1.827 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.532 -1.926 3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.912 -0.998 3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.404 -0.240 3.702 1.00 0.00 H new ATOM 467 N TYR A 30 16.214 4.855 2.083 1.00 0.00 N ATOM 468 CA TYR A 30 16.212 5.981 1.141 1.00 0.00 C ATOM 469 C TYR A 30 15.631 7.256 1.743 1.00 0.00 C ATOM 470 O TYR A 30 15.748 8.371 1.165 1.00 0.00 O ATOM 471 CB TYR A 30 15.268 5.536 -0.101 1.00 0.00 C ATOM 472 CG TYR A 30 15.822 4.277 -0.790 1.00 0.00 C ATOM 473 CD1 TYR A 30 17.223 4.226 -0.964 1.00 0.00 C ATOM 474 CD2 TYR A 30 14.982 3.234 -1.141 1.00 0.00 C ATOM 475 CE1 TYR A 30 17.762 3.054 -1.524 1.00 0.00 C ATOM 476 CE2 TYR A 30 15.524 2.098 -1.794 1.00 0.00 C ATOM 477 CZ TYR A 30 16.886 2.099 -2.069 1.00 0.00 C ATOM 478 OH TYR A 30 17.386 1.111 -2.904 1.00 0.00 O ATOM 0 H TYR A 30 15.273 4.530 2.304 1.00 0.00 H new ATOM 0 HA TYR A 30 17.240 6.200 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.256 5.344 0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.202 6.350 -0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 30 17.855 5.054 -0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.926 3.285 -0.920 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.830 2.891 -1.535 1.00 0.00 H new ATOM 0 HE2 TYR A 30 14.900 1.261 -2.068 1.00 0.00 H new ATOM 0 HH TYR A 30 16.654 0.529 -3.197 1.00 0.00 H new ATOM 488 N GLU A 31 14.999 7.100 2.903 1.00 0.00 N ATOM 489 CA GLU A 31 14.538 8.188 3.790 1.00 0.00 C ATOM 490 C GLU A 31 13.031 8.500 3.517 1.00 0.00 C ATOM 491 O GLU A 31 12.517 9.503 3.987 1.00 0.00 O ATOM 492 CB GLU A 31 15.373 9.443 3.591 1.00 0.00 C ATOM 493 CG GLU A 31 16.567 9.584 4.524 1.00 0.00 C ATOM 494 CD GLU A 31 17.549 10.694 4.107 1.00 0.00 C ATOM 495 OE1 GLU A 31 17.705 10.825 2.831 1.00 0.00 O ATOM 496 OE2 GLU A 31 18.077 11.378 4.991 1.00 0.00 O ATOM 0 H GLU A 31 14.780 6.176 3.275 1.00 0.00 H new ATOM 0 HA GLU A 31 14.655 7.859 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.733 9.461 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.728 10.313 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.207 9.789 5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.101 8.634 4.563 1.00 0.00 H new ATOM 503 N VAL A 32 12.444 7.679 2.605 1.00 0.00 N ATOM 504 CA VAL A 32 11.025 7.815 2.172 1.00 0.00 C ATOM 505 C VAL A 32 10.117 7.713 3.410 1.00 0.00 C ATOM 506 O VAL A 32 9.812 6.632 3.911 1.00 0.00 O ATOM 507 CB VAL A 32 10.725 6.728 1.097 1.00 0.00 C ATOM 508 CG1 VAL A 32 9.324 6.858 0.446 1.00 0.00 C ATOM 509 CG2 VAL A 32 11.843 6.618 0.031 1.00 0.00 C ATOM 0 H VAL A 32 12.937 6.909 2.152 1.00 0.00 H new ATOM 0 HA VAL A 32 10.833 8.785 1.713 1.00 0.00 H new ATOM 0 HB VAL A 32 10.711 5.789 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.190 6.066 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.556 6.772 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.239 7.828 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.581 5.846 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.952 7.574 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.784 6.357 0.516 1.00 0.00 H new ATOM 519 N PRO A 33 9.755 8.888 3.952 1.00 0.00 N ATOM 520 CA PRO A 33 9.259 9.103 5.328 1.00 0.00 C ATOM 521 C PRO A 33 8.299 8.056 5.916 1.00 0.00 C ATOM 522 O PRO A 33 7.663 7.290 5.243 1.00 0.00 O ATOM 523 CB PRO A 33 8.823 10.529 5.419 1.00 0.00 C ATOM 524 CG PRO A 33 8.849 11.078 4.008 1.00 0.00 C ATOM 525 CD PRO A 33 9.996 10.227 3.329 1.00 0.00 C ATOM 0 HA PRO A 33 10.082 8.921 6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.822 10.602 5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.489 11.097 6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.892 10.945 3.503 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.072 12.145 3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.904 10.201 2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.989 10.616 3.555 1.00 0.00 H new ATOM 533 N VAL A 34 8.084 8.230 7.271 1.00 0.00 N ATOM 534 CA VAL A 34 7.496 7.312 8.159 1.00 0.00 C ATOM 535 C VAL A 34 7.725 5.838 7.752 1.00 0.00 C ATOM 536 O VAL A 34 8.832 5.349 7.633 1.00 0.00 O ATOM 537 CB VAL A 34 6.074 7.635 8.700 1.00 0.00 C ATOM 538 CG1 VAL A 34 5.811 6.581 9.961 1.00 0.00 C ATOM 539 CG2 VAL A 34 5.954 9.028 9.347 1.00 0.00 C ATOM 0 H VAL A 34 8.357 9.093 7.742 1.00 0.00 H new ATOM 0 HA VAL A 34 8.075 7.466 9.069 1.00 0.00 H new ATOM 0 HB VAL A 34 5.385 7.571 7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.823 6.760 10.385 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.869 5.556 9.596 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.569 6.736 10.729 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.934 9.179 9.699 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.643 9.099 10.189 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.200 9.793 8.611 1.00 0.00 H new ATOM 549 N ILE A 35 6.659 5.113 7.636 1.00 0.00 N ATOM 550 CA ILE A 35 6.409 3.651 7.679 1.00 0.00 C ATOM 551 C ILE A 35 5.894 3.165 6.324 1.00 0.00 C ATOM 552 O ILE A 35 5.422 3.921 5.447 1.00 0.00 O ATOM 553 CB ILE A 35 5.352 3.383 8.840 1.00 0.00 C ATOM 554 CG1 ILE A 35 5.991 2.922 10.087 1.00 0.00 C ATOM 555 CG2 ILE A 35 4.019 2.968 8.368 1.00 0.00 C ATOM 556 CD1 ILE A 35 6.184 1.445 10.423 1.00 0.00 C ATOM 0 H ILE A 35 5.772 5.593 7.481 1.00 0.00 H new ATOM 0 HA ILE A 35 7.327 3.100 7.885 1.00 0.00 H new ATOM 0 HB ILE A 35 4.941 4.294 9.276 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.981 3.378 10.115 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.418 3.354 10.907 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.364 2.807 9.224 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.600 3.747 7.731 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.106 2.042 7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.676 1.353 11.391 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.213 0.951 10.461 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.801 0.975 9.657 1.00 0.00 H new ATOM 568 N ILE A 36 5.974 1.840 6.122 1.00 0.00 N ATOM 569 CA ILE A 36 5.024 1.010 5.320 1.00 0.00 C ATOM 570 C ILE A 36 4.163 0.197 6.311 1.00 0.00 C ATOM 571 O ILE A 36 4.709 -0.388 7.278 1.00 0.00 O ATOM 572 CB ILE A 36 5.749 0.163 4.266 1.00 0.00 C ATOM 573 CG1 ILE A 36 6.999 0.758 3.648 1.00 0.00 C ATOM 574 CG2 ILE A 36 4.749 -0.379 3.176 1.00 0.00 C ATOM 575 CD1 ILE A 36 7.328 2.234 3.815 1.00 0.00 C ATOM 0 H ILE A 36 6.728 1.283 6.524 1.00 0.00 H new ATOM 0 HA ILE A 36 4.361 1.641 4.728 1.00 0.00 H new ATOM 0 HB ILE A 36 6.143 -0.675 4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.847 0.195 4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.951 0.561 2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.296 -0.975 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.990 -0.998 3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.268 0.460 2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.261 2.459 3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.524 2.836 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.434 2.465 4.875 1.00 0.00 H new ATOM 587 N GLU A 37 2.845 0.132 6.076 1.00 0.00 N ATOM 588 CA GLU A 37 1.877 -0.696 6.789 1.00 0.00 C ATOM 589 C GLU A 37 0.814 -1.277 5.839 1.00 0.00 C ATOM 590 O GLU A 37 0.245 -0.595 4.985 1.00 0.00 O ATOM 591 CB GLU A 37 1.194 0.086 7.944 1.00 0.00 C ATOM 592 CG GLU A 37 2.123 0.267 9.151 1.00 0.00 C ATOM 593 CD GLU A 37 1.620 -0.419 10.432 1.00 0.00 C ATOM 594 OE1 GLU A 37 0.513 -0.112 10.925 1.00 0.00 O ATOM 595 OE2 GLU A 37 2.415 -1.296 10.895 1.00 0.00 O ATOM 0 H GLU A 37 2.407 0.688 5.342 1.00 0.00 H new ATOM 0 HA GLU A 37 2.436 -1.526 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.878 1.064 7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.294 -0.444 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.108 -0.128 8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.247 1.332 9.346 1.00 0.00 H new ATOM 602 N ALA A 38 0.609 -2.626 5.955 1.00 0.00 N ATOM 603 CA ALA A 38 -0.618 -3.295 5.535 1.00 0.00 C ATOM 604 C ALA A 38 -1.622 -3.557 6.657 1.00 0.00 C ATOM 605 O ALA A 38 -1.373 -3.358 7.830 1.00 0.00 O ATOM 606 CB ALA A 38 -0.289 -4.614 4.809 1.00 0.00 C ATOM 0 H ALA A 38 1.305 -3.261 6.346 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.107 -2.595 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.215 -5.101 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.319 -4.403 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.261 -5.272 5.481 1.00 0.00 H new ATOM 612 N PHE A 39 -2.845 -3.982 6.226 1.00 0.00 N ATOM 613 CA PHE A 39 -4.130 -3.922 6.975 1.00 0.00 C ATOM 614 C PHE A 39 -5.135 -4.780 6.157 1.00 0.00 C ATOM 615 O PHE A 39 -4.812 -5.133 5.006 1.00 0.00 O ATOM 616 CB PHE A 39 -4.589 -2.438 6.996 1.00 0.00 C ATOM 617 CG PHE A 39 -3.778 -1.431 7.825 1.00 0.00 C ATOM 618 CD1 PHE A 39 -2.621 -0.841 7.237 1.00 0.00 C ATOM 619 CD2 PHE A 39 -4.141 -1.072 9.132 1.00 0.00 C ATOM 620 CE1 PHE A 39 -1.844 0.045 7.972 1.00 0.00 C ATOM 621 CE2 PHE A 39 -3.256 -0.337 9.926 1.00 0.00 C ATOM 622 CZ PHE A 39 -2.082 0.207 9.324 1.00 0.00 C ATOM 0 H PHE A 39 -2.964 -4.395 5.301 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.051 -4.288 7.999 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.606 -2.082 5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.617 -2.414 7.358 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.349 -1.083 6.220 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.104 -1.364 9.524 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.057 0.605 7.489 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.457 -0.184 10.976 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.373 0.750 9.931 1.00 0.00 H new ATOM 632 N PRO A 40 -6.253 -5.225 6.735 1.00 0.00 N ATOM 633 CA PRO A 40 -7.370 -5.943 6.084 1.00 0.00 C ATOM 634 C PRO A 40 -8.637 -5.120 5.699 1.00 0.00 C ATOM 635 O PRO A 40 -9.609 -5.023 6.462 1.00 0.00 O ATOM 636 CB PRO A 40 -7.643 -7.105 7.007 1.00 0.00 C ATOM 637 CG PRO A 40 -7.301 -6.598 8.390 1.00 0.00 C ATOM 638 CD PRO A 40 -6.482 -5.297 8.194 1.00 0.00 C ATOM 0 HA PRO A 40 -7.073 -6.246 5.080 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.685 -7.418 6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.035 -7.970 6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.206 -6.403 8.966 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.724 -7.339 8.943 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.028 -4.425 8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.541 -5.333 8.743 1.00 0.00 H new ATOM 646 N GLU A 41 -8.600 -4.693 4.444 1.00 0.00 N ATOM 647 CA GLU A 41 -9.602 -3.928 3.724 1.00 0.00 C ATOM 648 C GLU A 41 -10.530 -3.024 4.509 1.00 0.00 C ATOM 649 O GLU A 41 -10.613 -1.770 4.236 1.00 0.00 O ATOM 650 CB GLU A 41 -10.308 -4.690 2.633 1.00 0.00 C ATOM 651 CG GLU A 41 -10.759 -6.088 2.984 1.00 0.00 C ATOM 652 CD GLU A 41 -10.735 -6.482 4.431 1.00 0.00 C ATOM 653 OE1 GLU A 41 -11.511 -6.042 5.290 1.00 0.00 O ATOM 654 OE2 GLU A 41 -9.751 -7.312 4.745 1.00 0.00 O ATOM 0 H GLU A 41 -7.793 -4.893 3.853 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.950 -3.201 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.181 -4.116 2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.643 -4.750 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.778 -6.214 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.134 -6.791 2.434 1.00 0.00 H new ATOM 661 N THR A 42 -11.310 -3.563 5.443 1.00 0.00 N ATOM 662 CA THR A 42 -12.281 -2.974 6.360 1.00 0.00 C ATOM 663 C THR A 42 -11.735 -1.642 6.989 1.00 0.00 C ATOM 664 O THR A 42 -12.412 -0.709 7.327 1.00 0.00 O ATOM 665 CB THR A 42 -12.705 -3.820 7.549 1.00 0.00 C ATOM 666 OG1 THR A 42 -11.828 -3.649 8.698 1.00 0.00 O ATOM 667 CG2 THR A 42 -13.023 -5.262 7.249 1.00 0.00 C ATOM 0 H THR A 42 -11.267 -4.571 5.594 1.00 0.00 H new ATOM 0 HA THR A 42 -13.144 -2.842 5.708 1.00 0.00 H new ATOM 0 HB THR A 42 -13.676 -3.410 7.827 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.143 -4.211 9.436 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.313 -5.770 8.169 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.843 -5.312 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.143 -5.749 6.828 1.00 0.00 H new ATOM 675 N LEU A 43 -10.391 -1.701 7.217 1.00 0.00 N ATOM 676 CA LEU A 43 -9.636 -1.014 8.275 1.00 0.00 C ATOM 677 C LEU A 43 -8.870 0.189 7.665 1.00 0.00 C ATOM 678 O LEU A 43 -8.326 0.996 8.457 1.00 0.00 O ATOM 679 CB LEU A 43 -8.586 -2.107 8.701 1.00 0.00 C ATOM 680 CG LEU A 43 -8.542 -2.468 10.231 1.00 0.00 C ATOM 681 CD1 LEU A 43 -8.116 -3.897 10.522 1.00 0.00 C ATOM 682 CD2 LEU A 43 -7.745 -1.402 10.982 1.00 0.00 C ATOM 0 H LEU A 43 -9.782 -2.266 6.625 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.260 -0.642 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.793 -3.018 8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.595 -1.766 8.401 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.563 -2.450 10.613 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.112 -4.063 11.599 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.815 -4.588 10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.115 -4.066 10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.714 -1.651 12.043 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.729 -1.363 10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.223 -0.431 10.851 1.00 0.00 H new ATOM 694 N ALA A 44 -8.820 0.333 6.356 1.00 0.00 N ATOM 695 CA ALA A 44 -8.392 1.503 5.601 1.00 0.00 C ATOM 696 C ALA A 44 -9.111 2.802 5.945 1.00 0.00 C ATOM 697 O ALA A 44 -8.446 3.870 6.083 1.00 0.00 O ATOM 698 CB ALA A 44 -8.504 1.232 4.084 1.00 0.00 C ATOM 0 H ALA A 44 -9.101 -0.428 5.737 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.354 1.659 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.181 2.115 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.871 0.386 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.539 1.004 3.831 1.00 0.00 H new ATOM 704 N GLY A 45 -10.432 2.780 6.019 1.00 0.00 N ATOM 705 CA GLY A 45 -11.266 3.941 6.467 1.00 0.00 C ATOM 706 C GLY A 45 -10.446 4.815 7.480 1.00 0.00 C ATOM 707 O GLY A 45 -10.176 5.971 7.201 1.00 0.00 O ATOM 0 H GLY A 45 -10.984 1.959 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.562 4.543 5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.182 3.584 6.937 1.00 0.00 H new ATOM 711 N GLU A 46 -10.090 4.181 8.617 1.00 0.00 N ATOM 712 CA GLU A 46 -9.336 4.792 9.720 1.00 0.00 C ATOM 713 C GLU A 46 -7.835 4.906 9.427 1.00 0.00 C ATOM 714 O GLU A 46 -7.273 5.988 9.472 1.00 0.00 O ATOM 715 CB GLU A 46 -9.576 3.991 11.038 1.00 0.00 C ATOM 716 CG GLU A 46 -10.339 4.812 12.052 1.00 0.00 C ATOM 717 CD GLU A 46 -10.604 4.122 13.402 1.00 0.00 C ATOM 718 OE1 GLU A 46 -9.665 4.103 14.245 1.00 0.00 O ATOM 719 OE2 GLU A 46 -11.754 3.612 13.559 1.00 0.00 O ATOM 0 H GLU A 46 -10.328 3.205 8.793 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.707 5.810 9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.130 3.079 10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.618 3.687 11.460 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.786 5.733 12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.296 5.097 11.616 1.00 0.00 H new ATOM 726 N LYS A 47 -7.193 3.731 9.190 1.00 0.00 N ATOM 727 CA LYS A 47 -5.715 3.647 9.046 1.00 0.00 C ATOM 728 C LYS A 47 -5.255 4.318 7.739 1.00 0.00 C ATOM 729 O LYS A 47 -4.267 5.059 7.694 1.00 0.00 O ATOM 730 CB LYS A 47 -5.284 2.153 9.025 1.00 0.00 C ATOM 731 CG LYS A 47 -5.302 1.573 10.439 1.00 0.00 C ATOM 732 CD LYS A 47 -6.202 2.306 11.435 1.00 0.00 C ATOM 733 CE LYS A 47 -5.947 1.713 12.855 1.00 0.00 C ATOM 734 NZ LYS A 47 -5.614 2.829 13.800 1.00 0.00 N ATOM 0 H LYS A 47 -7.672 2.835 9.095 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.255 4.163 9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.956 1.583 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.284 2.062 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.622 0.533 10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.283 1.573 10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.987 3.375 11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.250 2.189 11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.830 1.177 13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.130 0.993 12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.443 2.441 14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.760 3.322 13.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.408 3.500 13.839 1.00 0.00 H new ATOM 748 N GLY A 48 -5.943 3.946 6.634 1.00 0.00 N ATOM 749 CA GLY A 48 -5.775 4.467 5.273 1.00 0.00 C ATOM 750 C GLY A 48 -6.023 5.930 5.059 1.00 0.00 C ATOM 751 O GLY A 48 -5.340 6.564 4.192 1.00 0.00 O ATOM 0 H GLY A 48 -6.670 3.232 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.757 4.247 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.444 3.912 4.615 1.00 0.00 H new ATOM 755 N GLN A 49 -7.077 6.475 5.703 1.00 0.00 N ATOM 756 CA GLN A 49 -7.246 7.945 5.921 1.00 0.00 C ATOM 757 C GLN A 49 -6.043 8.464 6.783 1.00 0.00 C ATOM 758 O GLN A 49 -5.700 9.633 6.763 1.00 0.00 O ATOM 759 CB GLN A 49 -8.544 8.181 6.624 1.00 0.00 C ATOM 760 CG GLN A 49 -8.533 7.894 8.137 1.00 0.00 C ATOM 761 CD GLN A 49 -8.832 9.144 8.985 1.00 0.00 C ATOM 762 OE1 GLN A 49 -9.052 10.269 8.526 1.00 0.00 O ATOM 763 NE2 GLN A 49 -8.915 8.940 10.323 1.00 0.00 N ATOM 0 H GLN A 49 -7.839 5.917 6.089 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.259 8.481 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.839 9.219 6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.309 7.560 6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.271 7.124 8.361 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.559 7.494 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.735 8.014 10.710 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.158 9.713 10.943 1.00 0.00 H new ATOM 772 N ASN A 50 -5.441 7.529 7.581 1.00 0.00 N ATOM 773 CA ASN A 50 -4.288 7.722 8.438 1.00 0.00 C ATOM 774 C ASN A 50 -2.958 7.416 7.702 1.00 0.00 C ATOM 775 O ASN A 50 -1.879 7.410 8.314 1.00 0.00 O ATOM 776 CB ASN A 50 -4.412 6.846 9.719 1.00 0.00 C ATOM 777 CG ASN A 50 -5.411 7.432 10.740 1.00 0.00 C ATOM 778 OD1 ASN A 50 -6.093 8.531 10.376 1.00 0.00 O flip ATOM 779 ND2 ASN A 50 -5.641 6.936 11.852 1.00 0.00 N flip ATOM 0 H ASN A 50 -5.790 6.572 7.626 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.268 8.774 8.724 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.730 5.842 9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.432 6.751 10.187 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.137 6.102 12.152 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.334 7.362 12.467 1.00 0.00 H new ATOM 786 N ALA A 51 -3.092 7.069 6.408 1.00 0.00 N ATOM 787 CA ALA A 51 -1.991 6.927 5.449 1.00 0.00 C ATOM 788 C ALA A 51 -1.885 8.116 4.498 1.00 0.00 C ATOM 789 O ALA A 51 -2.824 8.894 4.298 1.00 0.00 O ATOM 790 CB ALA A 51 -2.018 5.605 4.686 1.00 0.00 C ATOM 0 H ALA A 51 -4.003 6.874 5.992 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.086 6.914 6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.176 5.567 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.947 4.777 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.951 5.526 4.127 1.00 0.00 H new ATOM 796 N ASP A 52 -0.680 8.243 3.865 1.00 0.00 N ATOM 797 CA ASP A 52 -0.310 9.120 2.780 1.00 0.00 C ATOM 798 C ASP A 52 -0.336 8.427 1.400 1.00 0.00 C ATOM 799 O ASP A 52 -0.337 9.080 0.347 1.00 0.00 O ATOM 800 CB ASP A 52 1.057 9.798 3.030 1.00 0.00 C ATOM 801 CG ASP A 52 0.924 11.237 3.591 1.00 0.00 C ATOM 802 OD1 ASP A 52 0.576 11.316 4.812 1.00 0.00 O ATOM 803 OD2 ASP A 52 1.238 12.197 2.831 1.00 0.00 O ATOM 0 H ASP A 52 0.111 7.666 4.151 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.076 9.895 2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.634 9.193 3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.618 9.828 2.096 1.00 0.00 H new ATOM 808 N VAL A 53 -0.186 7.067 1.432 1.00 0.00 N ATOM 809 CA VAL A 53 -0.408 6.183 0.280 1.00 0.00 C ATOM 810 C VAL A 53 -0.883 4.797 0.820 1.00 0.00 C ATOM 811 O VAL A 53 -0.505 4.371 1.922 1.00 0.00 O ATOM 812 CB VAL A 53 0.848 6.079 -0.583 1.00 0.00 C ATOM 813 CG1 VAL A 53 0.845 4.983 -1.670 1.00 0.00 C ATOM 814 CG2 VAL A 53 1.284 7.454 -1.161 1.00 0.00 C ATOM 0 H VAL A 53 0.096 6.565 2.274 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.180 6.591 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 53 1.603 5.742 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.789 5.009 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.723 4.006 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.021 5.159 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.181 7.326 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.483 7.859 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.494 8.143 -0.343 1.00 0.00 H new ATOM 824 N VAL A 54 -1.761 4.159 0.031 1.00 0.00 N ATOM 825 CA VAL A 54 -2.646 3.078 0.485 1.00 0.00 C ATOM 826 C VAL A 54 -2.896 2.115 -0.696 1.00 0.00 C ATOM 827 O VAL A 54 -3.402 2.501 -1.743 1.00 0.00 O ATOM 828 CB VAL A 54 -3.915 3.638 1.154 1.00 0.00 C ATOM 829 CG1 VAL A 54 -5.185 2.805 0.960 1.00 0.00 C ATOM 830 CG2 VAL A 54 -3.722 4.069 2.635 1.00 0.00 C ATOM 0 H VAL A 54 -1.877 4.384 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.173 2.492 1.273 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.087 4.552 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.018 3.288 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.409 2.725 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.033 1.809 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.664 4.451 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.404 3.210 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.963 4.849 2.691 1.00 0.00 H new ATOM 840 N LEU A 55 -2.415 0.837 -0.521 1.00 0.00 N ATOM 841 CA LEU A 55 -2.367 -0.220 -1.517 1.00 0.00 C ATOM 842 C LEU A 55 -3.105 -1.487 -1.042 1.00 0.00 C ATOM 843 O LEU A 55 -2.672 -2.141 -0.117 1.00 0.00 O ATOM 844 CB LEU A 55 -0.838 -0.544 -1.664 1.00 0.00 C ATOM 845 CG LEU A 55 0.121 0.642 -1.931 1.00 0.00 C ATOM 846 CD1 LEU A 55 1.180 0.864 -0.852 1.00 0.00 C ATOM 847 CD2 LEU A 55 0.577 0.749 -3.360 1.00 0.00 C ATOM 0 H LEU A 55 -2.038 0.532 0.376 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.844 0.091 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.511 -1.043 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.722 -1.260 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.492 1.536 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.805 1.715 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.691 1.064 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.800 -0.028 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.245 1.604 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.105 -0.162 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.288 0.883 -4.009 1.00 0.00 H new ATOM 859 N LEU A 56 -4.256 -1.826 -1.706 1.00 0.00 N ATOM 860 CA LEU A 56 -5.253 -2.832 -1.293 1.00 0.00 C ATOM 861 C LEU A 56 -5.256 -3.978 -2.340 1.00 0.00 C ATOM 862 O LEU A 56 -4.890 -3.774 -3.506 1.00 0.00 O ATOM 863 CB LEU A 56 -6.614 -2.134 -1.211 1.00 0.00 C ATOM 864 CG LEU A 56 -6.702 -0.617 -1.546 1.00 0.00 C ATOM 865 CD1 LEU A 56 -7.913 -0.228 -2.392 1.00 0.00 C ATOM 866 CD2 LEU A 56 -6.422 0.247 -0.333 1.00 0.00 C ATOM 0 H LEU A 56 -4.512 -1.375 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.021 -3.264 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.295 -2.659 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.994 -2.271 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.884 -0.394 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.897 0.846 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.880 -0.762 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.828 -0.490 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.494 1.299 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.151 0.027 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.419 0.038 0.039 1.00 0.00 H new ATOM 878 N GLY A 57 -5.507 -5.236 -1.931 1.00 0.00 N ATOM 879 CA GLY A 57 -5.016 -6.473 -2.550 1.00 0.00 C ATOM 880 C GLY A 57 -5.261 -6.560 -4.042 1.00 0.00 C ATOM 881 O GLY A 57 -6.037 -5.757 -4.607 1.00 0.00 O ATOM 0 H GLY A 57 -6.090 -5.422 -1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.946 -6.559 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.494 -7.324 -2.064 1.00 0.00 H new ATOM 885 N PRO A 58 -4.575 -7.482 -4.720 1.00 0.00 N ATOM 886 CA PRO A 58 -4.723 -7.854 -6.146 1.00 0.00 C ATOM 887 C PRO A 58 -5.533 -9.137 -6.538 1.00 0.00 C ATOM 888 O PRO A 58 -6.038 -9.221 -7.653 1.00 0.00 O ATOM 889 CB PRO A 58 -3.281 -7.948 -6.651 1.00 0.00 C ATOM 890 CG PRO A 58 -2.577 -8.605 -5.448 1.00 0.00 C ATOM 891 CD PRO A 58 -3.345 -8.151 -4.214 1.00 0.00 C ATOM 0 HA PRO A 58 -5.356 -7.096 -6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.201 -8.553 -7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.864 -6.969 -6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.587 -9.691 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.532 -8.299 -5.392 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -3.596 -8.999 -3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.747 -7.466 -3.613 1.00 0.00 H new ATOM 899 N GLN A 59 -5.764 -9.946 -5.486 1.00 0.00 N ATOM 900 CA GLN A 59 -6.901 -10.902 -5.434 1.00 0.00 C ATOM 901 C GLN A 59 -7.988 -10.336 -4.450 1.00 0.00 C ATOM 902 O GLN A 59 -8.960 -11.008 -4.166 1.00 0.00 O ATOM 903 CB GLN A 59 -6.323 -12.195 -4.823 1.00 0.00 C ATOM 904 CG GLN A 59 -6.108 -12.033 -3.276 1.00 0.00 C ATOM 905 CD GLN A 59 -4.945 -12.796 -2.744 1.00 0.00 C ATOM 906 OE1 GLN A 59 -3.695 -12.253 -2.782 1.00 0.00 O flip ATOM 907 NE2 GLN A 59 -4.990 -13.998 -2.291 1.00 0.00 N flip ATOM 0 H GLN A 59 -5.177 -9.960 -4.652 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.346 -11.066 -6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.000 -13.028 -5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.375 -12.437 -5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.972 -10.976 -3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.010 -12.358 -2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.884 -14.485 -2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.132 -14.464 -1.997 1.00 0.00 H new ATOM 916 N ILE A 60 -7.707 -9.099 -3.978 1.00 0.00 N ATOM 917 CA ILE A 60 -8.618 -8.313 -3.073 1.00 0.00 C ATOM 918 C ILE A 60 -8.719 -6.868 -3.580 1.00 0.00 C ATOM 919 O ILE A 60 -9.033 -5.949 -2.830 1.00 0.00 O ATOM 920 CB ILE A 60 -8.171 -8.464 -1.604 1.00 0.00 C ATOM 921 CG1 ILE A 60 -9.322 -9.169 -0.749 1.00 0.00 C ATOM 922 CG2 ILE A 60 -7.648 -7.212 -0.948 1.00 0.00 C ATOM 923 CD1 ILE A 60 -9.580 -8.525 0.587 1.00 0.00 C ATOM 0 H ILE A 60 -6.844 -8.606 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 60 -9.634 -8.707 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.293 -9.109 -1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.246 -9.161 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.054 -10.213 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.363 -7.432 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.778 -6.850 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.424 -6.447 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.375 -9.064 1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.671 -8.556 1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.881 -7.488 0.439 1.00 0.00 H new ATOM 935 N ALA A 61 -8.437 -6.705 -4.894 1.00 0.00 N ATOM 936 CA ALA A 61 -8.585 -5.450 -5.674 1.00 0.00 C ATOM 937 C ALA A 61 -9.987 -4.834 -5.522 1.00 0.00 C ATOM 938 O ALA A 61 -10.119 -3.605 -5.456 1.00 0.00 O ATOM 939 CB ALA A 61 -8.252 -5.720 -7.148 1.00 0.00 C ATOM 0 H ALA A 61 -8.086 -7.474 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.883 -4.717 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.361 -4.799 -7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.226 -6.079 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.933 -6.475 -7.542 1.00 0.00 H new ATOM 945 N TYR A 62 -11.018 -5.705 -5.590 1.00 0.00 N ATOM 946 CA TYR A 62 -12.452 -5.369 -5.708 1.00 0.00 C ATOM 947 C TYR A 62 -12.828 -4.181 -4.830 1.00 0.00 C ATOM 948 O TYR A 62 -13.741 -3.396 -5.142 1.00 0.00 O ATOM 949 CB TYR A 62 -13.310 -6.650 -5.289 1.00 0.00 C ATOM 950 CG TYR A 62 -13.140 -7.003 -3.850 1.00 0.00 C ATOM 951 CD1 TYR A 62 -11.874 -6.978 -3.209 1.00 0.00 C ATOM 952 CD2 TYR A 62 -14.304 -7.291 -3.094 1.00 0.00 C ATOM 953 CE1 TYR A 62 -11.759 -7.557 -1.954 1.00 0.00 C ATOM 954 CE2 TYR A 62 -14.146 -8.014 -1.907 1.00 0.00 C ATOM 955 CZ TYR A 62 -12.851 -8.201 -1.369 1.00 0.00 C ATOM 956 OH TYR A 62 -12.685 -8.920 -0.244 1.00 0.00 O ATOM 0 H TYR A 62 -10.863 -6.713 -5.563 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.662 -5.088 -6.740 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.364 -6.460 -5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.015 -7.499 -5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.021 -6.519 -3.687 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.279 -6.964 -3.423 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.818 -7.509 -1.426 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -15.008 -8.427 -1.404 1.00 0.00 H new ATOM 0 HH TYR A 62 -13.545 -9.301 0.031 1.00 0.00 H new ATOM 966 N MET A 63 -12.114 -4.064 -3.675 1.00 0.00 N ATOM 967 CA MET A 63 -12.516 -3.141 -2.561 1.00 0.00 C ATOM 968 C MET A 63 -12.394 -1.669 -3.025 1.00 0.00 C ATOM 969 O MET A 63 -12.947 -0.750 -2.385 1.00 0.00 O ATOM 970 CB MET A 63 -11.525 -3.382 -1.372 1.00 0.00 C ATOM 971 CG MET A 63 -11.796 -4.728 -0.707 1.00 0.00 C ATOM 972 SD MET A 63 -13.465 -5.405 -0.861 1.00 0.00 S ATOM 973 CE MET A 63 -13.738 -6.090 0.767 1.00 0.00 C ATOM 0 H MET A 63 -11.262 -4.592 -3.487 1.00 0.00 H new ATOM 0 HA MET A 63 -13.547 -3.333 -2.263 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.498 -3.351 -1.736 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.627 -2.582 -0.639 1.00 0.00 H new ATOM 0 HG2 MET A 63 -11.097 -5.455 -1.120 1.00 0.00 H new ATOM 0 HG3 MET A 63 -11.567 -4.633 0.354 1.00 0.00 H new ATOM 0 HE1 MET A 63 -14.700 -6.601 0.790 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.944 -6.800 1.001 1.00 0.00 H new ATOM 0 HE3 MET A 63 -13.736 -5.287 1.504 1.00 0.00 H new ATOM 983 N LEU A 64 -11.580 -1.472 -4.068 1.00 0.00 N ATOM 984 CA LEU A 64 -11.047 -0.211 -4.575 1.00 0.00 C ATOM 985 C LEU A 64 -12.080 0.872 -4.690 1.00 0.00 C ATOM 986 O LEU A 64 -11.742 2.078 -4.528 1.00 0.00 O ATOM 987 CB LEU A 64 -10.445 -0.553 -5.991 1.00 0.00 C ATOM 988 CG LEU A 64 -9.545 0.520 -6.645 1.00 0.00 C ATOM 989 CD1 LEU A 64 -10.073 1.020 -7.995 1.00 0.00 C ATOM 990 CD2 LEU A 64 -9.181 1.647 -5.679 1.00 0.00 C ATOM 0 H LEU A 64 -11.251 -2.261 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.305 0.186 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.866 -1.472 -5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.272 -0.762 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.608 0.017 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.392 1.771 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.142 0.184 -8.691 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.060 1.461 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.548 2.373 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.091 2.138 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.644 1.235 -4.825 1.00 0.00 H new ATOM 1002 N PRO A 65 -13.358 0.554 -5.038 1.00 0.00 N ATOM 1003 CA PRO A 65 -14.522 1.462 -5.049 1.00 0.00 C ATOM 1004 C PRO A 65 -15.253 1.759 -3.721 1.00 0.00 C ATOM 1005 O PRO A 65 -15.724 2.882 -3.481 1.00 0.00 O ATOM 1006 CB PRO A 65 -15.419 0.946 -6.149 1.00 0.00 C ATOM 1007 CG PRO A 65 -15.227 -0.591 -6.039 1.00 0.00 C ATOM 1008 CD PRO A 65 -13.715 -0.733 -5.677 1.00 0.00 C ATOM 0 HA PRO A 65 -14.154 2.471 -5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.458 1.238 -5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.122 1.324 -7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.868 -1.023 -5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.467 -1.095 -6.975 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.547 -1.571 -5.000 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.111 -0.915 -6.566 1.00 0.00 H new ATOM 1016 N GLU A 66 -15.152 0.770 -2.844 1.00 0.00 N ATOM 1017 CA GLU A 66 -15.389 0.890 -1.379 1.00 0.00 C ATOM 1018 C GLU A 66 -14.286 1.736 -0.740 1.00 0.00 C ATOM 1019 O GLU A 66 -14.534 2.672 0.033 1.00 0.00 O ATOM 1020 CB GLU A 66 -15.604 -0.458 -0.731 1.00 0.00 C ATOM 1021 CG GLU A 66 -14.775 -0.698 0.544 1.00 0.00 C ATOM 1022 CD GLU A 66 -14.871 -2.128 1.107 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -14.525 -3.084 0.347 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -15.294 -2.248 2.281 1.00 0.00 O ATOM 0 H GLU A 66 -14.895 -0.177 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.324 1.422 -1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.661 -0.564 -0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.365 -1.237 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.730 -0.474 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.101 0.004 1.312 1.00 0.00 H new ATOM 1031 N ILE A 67 -13.021 1.324 -0.995 1.00 0.00 N ATOM 1032 CA ILE A 67 -11.817 1.951 -0.425 1.00 0.00 C ATOM 1033 C ILE A 67 -11.794 3.470 -0.710 1.00 0.00 C ATOM 1034 O ILE A 67 -11.694 4.314 0.131 1.00 0.00 O ATOM 1035 CB ILE A 67 -10.514 1.230 -0.778 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -10.480 -0.255 -0.502 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -9.275 1.984 -0.191 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -9.433 -0.827 0.472 1.00 0.00 C ATOM 0 H ILE A 67 -12.812 0.538 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.882 1.835 0.657 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.463 1.271 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.463 -0.539 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.346 -0.761 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.364 1.449 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.236 2.994 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.361 2.036 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.558 -1.907 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.432 -0.602 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.567 -0.377 1.456 1.00 0.00 H new ATOM 1050 N GLN A 68 -11.830 3.737 -2.058 1.00 0.00 N ATOM 1051 CA GLN A 68 -11.423 4.999 -2.700 1.00 0.00 C ATOM 1052 C GLN A 68 -12.658 5.863 -2.991 1.00 0.00 C ATOM 1053 O GLN A 68 -12.593 6.899 -3.646 1.00 0.00 O ATOM 1054 CB GLN A 68 -10.608 4.695 -3.957 1.00 0.00 C ATOM 1055 CG GLN A 68 -11.122 5.267 -5.269 1.00 0.00 C ATOM 1056 CD GLN A 68 -10.615 6.661 -5.619 1.00 0.00 C ATOM 1057 OE1 GLN A 68 -10.106 7.407 -4.604 1.00 0.00 O flip ATOM 1058 NE2 GLN A 68 -10.685 7.176 -6.752 1.00 0.00 N flip ATOM 0 H GLN A 68 -12.156 3.046 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.785 5.573 -2.028 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.594 5.064 -3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.540 3.612 -4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.847 4.586 -6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.211 5.294 -5.232 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.063 6.640 -7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.365 8.133 -6.898 1.00 0.00 H new ATOM 1067 N ARG A 69 -13.849 5.353 -2.563 1.00 0.00 N ATOM 1068 CA ARG A 69 -15.066 6.193 -2.322 1.00 0.00 C ATOM 1069 C ARG A 69 -15.051 6.678 -0.854 1.00 0.00 C ATOM 1070 O ARG A 69 -15.708 7.646 -0.495 1.00 0.00 O ATOM 1071 CB ARG A 69 -16.325 5.261 -2.517 1.00 0.00 C ATOM 1072 CG ARG A 69 -17.543 5.777 -1.782 1.00 0.00 C ATOM 1073 CD ARG A 69 -17.654 5.174 -0.379 1.00 0.00 C ATOM 1074 NE ARG A 69 -18.978 4.467 -0.281 1.00 0.00 N ATOM 1075 CZ ARG A 69 -20.159 5.116 -0.115 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -20.252 6.446 -0.012 1.00 0.00 N ATOM 1077 NH2 ARG A 69 -21.316 4.400 -0.107 1.00 0.00 N ATOM 0 H ARG A 69 -13.995 4.361 -2.377 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.091 7.046 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -16.553 5.180 -3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -16.089 4.257 -2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.491 6.863 -1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -18.441 5.539 -2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -16.836 4.477 -0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -17.582 5.955 0.378 1.00 0.00 H new ATOM 0 HE ARG A 69 -18.989 3.449 -0.342 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -19.411 7.021 -0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -21.164 6.885 0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -21.290 3.387 -0.225 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -22.210 4.876 0.017 1.00 0.00 H new ATOM 1091 N LEU A 70 -14.332 5.921 0.002 1.00 0.00 N ATOM 1092 CA LEU A 70 -14.083 6.204 1.440 1.00 0.00 C ATOM 1093 C LEU A 70 -12.959 7.240 1.569 1.00 0.00 C ATOM 1094 O LEU A 70 -13.172 8.325 2.116 1.00 0.00 O ATOM 1095 CB LEU A 70 -13.703 4.853 2.064 1.00 0.00 C ATOM 1096 CG LEU A 70 -13.711 4.658 3.577 1.00 0.00 C ATOM 1097 CD1 LEU A 70 -14.885 5.306 4.316 1.00 0.00 C ATOM 1098 CD2 LEU A 70 -13.565 3.131 3.967 1.00 0.00 C ATOM 0 H LEU A 70 -13.887 5.055 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.950 6.625 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.375 4.106 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.699 4.611 1.716 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.832 5.202 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.796 5.108 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.874 6.382 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.822 4.889 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.575 3.030 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.395 2.566 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.625 2.744 3.575 1.00 0.00 H new ATOM 1110 N LEU A 71 -11.730 6.894 1.101 1.00 0.00 N ATOM 1111 CA LEU A 71 -10.602 7.798 0.795 1.00 0.00 C ATOM 1112 C LEU A 71 -10.690 8.234 -0.649 1.00 0.00 C ATOM 1113 O LEU A 71 -10.170 7.537 -1.554 1.00 0.00 O ATOM 1114 CB LEU A 71 -9.338 6.890 0.981 1.00 0.00 C ATOM 1115 CG LEU A 71 -9.089 6.289 2.365 1.00 0.00 C ATOM 1116 CD1 LEU A 71 -10.363 5.785 3.111 1.00 0.00 C ATOM 1117 CD2 LEU A 71 -7.975 5.250 2.378 1.00 0.00 C ATOM 0 H LEU A 71 -11.492 5.919 0.919 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.587 8.692 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.407 6.069 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.461 7.477 0.708 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.743 7.142 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.079 5.378 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.053 6.616 3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.848 5.009 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.850 4.864 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.233 4.431 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.044 5.711 2.048 1.00 0.00 H new ATOM 1129 N PRO A 72 -11.371 9.377 -0.932 1.00 0.00 N ATOM 1130 CA PRO A 72 -11.390 10.085 -2.210 1.00 0.00 C ATOM 1131 C PRO A 72 -10.275 11.116 -2.527 1.00 0.00 C ATOM 1132 O PRO A 72 -10.039 11.474 -3.697 1.00 0.00 O ATOM 1133 CB PRO A 72 -12.800 10.742 -2.275 1.00 0.00 C ATOM 1134 CG PRO A 72 -13.018 11.127 -0.787 1.00 0.00 C ATOM 1135 CD PRO A 72 -12.398 9.951 -0.027 1.00 0.00 C ATOM 0 HA PRO A 72 -11.176 9.346 -2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.820 11.611 -2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.561 10.050 -2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.529 12.069 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.076 11.245 -0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.951 10.284 0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.154 9.208 0.227 1.00 0.00 H new ATOM 1143 N ASN A 73 -9.514 11.394 -1.452 1.00 0.00 N ATOM 1144 CA ASN A 73 -8.609 12.570 -1.343 1.00 0.00 C ATOM 1145 C ASN A 73 -7.151 12.199 -1.582 1.00 0.00 C ATOM 1146 O ASN A 73 -6.285 13.060 -1.842 1.00 0.00 O ATOM 1147 CB ASN A 73 -8.799 13.201 0.066 1.00 0.00 C ATOM 1148 CG ASN A 73 -9.585 14.515 0.064 1.00 0.00 C ATOM 1149 OD1 ASN A 73 -9.131 15.602 -0.314 1.00 0.00 O ATOM 1150 ND2 ASN A 73 -10.869 14.440 0.508 1.00 0.00 N ATOM 0 H ASN A 73 -9.505 10.804 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.869 13.291 -2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.313 12.484 0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.818 13.378 0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.451 15.277 0.528 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.249 13.547 0.821 1.00 0.00 H new ATOM 1157 N LYS A 74 -6.859 10.893 -1.404 1.00 0.00 N ATOM 1158 CA LYS A 74 -5.470 10.373 -1.222 1.00 0.00 C ATOM 1159 C LYS A 74 -5.137 9.248 -2.202 1.00 0.00 C ATOM 1160 O LYS A 74 -5.985 8.642 -2.823 1.00 0.00 O ATOM 1161 CB LYS A 74 -5.300 9.876 0.233 1.00 0.00 C ATOM 1162 CG LYS A 74 -5.776 10.916 1.228 1.00 0.00 C ATOM 1163 CD LYS A 74 -4.846 11.251 2.396 1.00 0.00 C ATOM 1164 CE LYS A 74 -5.641 11.211 3.703 1.00 0.00 C ATOM 1165 NZ LYS A 74 -6.423 12.427 3.877 1.00 0.00 N ATOM 0 H LYS A 74 -7.572 10.164 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.777 11.189 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.862 8.952 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.252 9.643 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.976 11.838 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.726 10.577 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.022 10.538 2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.407 12.238 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.304 10.345 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.958 11.090 4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.953 12.374 4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.786 13.249 3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.090 12.527 3.085 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.795 9.006 -2.358 1.00 0.00 N ATOM 1180 CA PRO A 75 -3.190 8.028 -3.247 1.00 0.00 C ATOM 1181 C PRO A 75 -3.294 6.504 -2.936 1.00 0.00 C ATOM 1182 O PRO A 75 -2.293 5.787 -2.860 1.00 0.00 O ATOM 1183 CB PRO A 75 -1.778 8.515 -3.547 1.00 0.00 C ATOM 1184 CG PRO A 75 -1.419 9.325 -2.321 1.00 0.00 C ATOM 1185 CD PRO A 75 -2.759 9.927 -1.826 1.00 0.00 C ATOM 0 HA PRO A 75 -3.828 8.007 -4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.089 7.683 -3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.746 9.121 -4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.962 8.699 -1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.701 10.108 -2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.794 9.978 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.900 10.942 -2.198 1.00 0.00 H new ATOM 1193 N VAL A 76 -4.573 6.089 -2.964 1.00 0.00 N ATOM 1194 CA VAL A 76 -5.009 4.672 -2.880 1.00 0.00 C ATOM 1195 C VAL A 76 -4.664 3.939 -4.190 1.00 0.00 C ATOM 1196 O VAL A 76 -4.630 4.528 -5.279 1.00 0.00 O ATOM 1197 CB VAL A 76 -6.492 4.603 -2.504 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -6.972 3.184 -2.120 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -6.862 5.638 -1.413 1.00 0.00 C ATOM 0 H VAL A 76 -5.354 6.739 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.469 4.153 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.031 4.866 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.032 3.215 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.820 2.508 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.403 2.828 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.923 5.554 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.274 5.446 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.650 6.643 -1.778 1.00 0.00 H new ATOM 1209 N GLU A 77 -4.333 2.644 -4.061 1.00 0.00 N ATOM 1210 CA GLU A 77 -3.985 1.733 -5.111 1.00 0.00 C ATOM 1211 C GLU A 77 -4.072 0.242 -4.649 1.00 0.00 C ATOM 1212 O GLU A 77 -4.070 -0.021 -3.472 1.00 0.00 O ATOM 1213 CB GLU A 77 -2.599 2.001 -5.701 1.00 0.00 C ATOM 1214 CG GLU A 77 -2.542 3.343 -6.441 1.00 0.00 C ATOM 1215 CD GLU A 77 -3.372 3.369 -7.740 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -3.911 2.355 -8.145 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -3.339 4.529 -8.332 1.00 0.00 O ATOM 0 H GLU A 77 -4.306 2.195 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.724 1.907 -5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.857 1.995 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.335 1.196 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.899 4.130 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.503 3.573 -6.679 1.00 0.00 H new ATOM 1224 N VAL A 78 -4.250 -0.652 -5.639 1.00 0.00 N ATOM 1225 CA VAL A 78 -4.189 -2.141 -5.443 1.00 0.00 C ATOM 1226 C VAL A 78 -2.921 -2.649 -6.178 1.00 0.00 C ATOM 1227 O VAL A 78 -2.482 -2.074 -7.193 1.00 0.00 O ATOM 1228 CB VAL A 78 -5.488 -2.732 -6.010 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -6.806 -2.268 -5.389 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -5.536 -2.638 -7.547 1.00 0.00 C ATOM 0 H VAL A 78 -4.441 -0.378 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.115 -2.440 -4.397 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.422 -3.775 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.638 -2.766 -5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.816 -2.517 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.905 -1.189 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.471 -3.067 -7.909 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.475 -1.593 -7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.696 -3.188 -7.972 1.00 0.00 H new ATOM 1240 N ILE A 79 -2.321 -3.695 -5.594 1.00 0.00 N ATOM 1241 CA ILE A 79 -0.981 -4.217 -5.938 1.00 0.00 C ATOM 1242 C ILE A 79 -1.119 -5.110 -7.220 1.00 0.00 C ATOM 1243 O ILE A 79 -2.182 -5.569 -7.569 1.00 0.00 O ATOM 1244 CB ILE A 79 -0.307 -4.945 -4.751 1.00 0.00 C ATOM 1245 CG1 ILE A 79 -0.606 -4.284 -3.382 1.00 0.00 C ATOM 1246 CG2 ILE A 79 1.230 -5.120 -4.935 1.00 0.00 C ATOM 1247 CD1 ILE A 79 -0.598 -5.308 -2.184 1.00 0.00 C ATOM 0 H ILE A 79 -2.766 -4.223 -4.843 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.308 -3.389 -6.158 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.759 -5.937 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.134 -3.506 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.579 -3.794 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.644 -5.637 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.425 -5.705 -5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.699 -4.141 -5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.814 -4.782 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.357 -6.072 -2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.382 -5.779 -2.115 1.00 0.00 H new ATOM 1259 N ASP A 80 0.053 -5.329 -7.834 1.00 0.00 N ATOM 1260 CA ASP A 80 0.420 -6.445 -8.700 1.00 0.00 C ATOM 1261 C ASP A 80 0.639 -7.740 -7.828 1.00 0.00 C ATOM 1262 O ASP A 80 0.759 -7.647 -6.606 1.00 0.00 O ATOM 1263 CB ASP A 80 1.766 -6.120 -9.410 1.00 0.00 C ATOM 1264 CG ASP A 80 1.640 -5.527 -10.805 1.00 0.00 C ATOM 1265 OD1 ASP A 80 1.485 -4.241 -10.864 1.00 0.00 O ATOM 1266 OD2 ASP A 80 1.763 -6.280 -11.800 1.00 0.00 O ATOM 0 H ASP A 80 0.827 -4.674 -7.725 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.374 -6.606 -9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.327 -5.424 -8.787 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.354 -7.036 -9.474 1.00 0.00 H new ATOM 1271 N SER A 81 0.440 -8.870 -8.504 1.00 0.00 N ATOM 1272 CA SER A 81 0.157 -10.196 -7.904 1.00 0.00 C ATOM 1273 C SER A 81 1.379 -11.125 -7.913 1.00 0.00 C ATOM 1274 O SER A 81 1.460 -12.140 -7.193 1.00 0.00 O ATOM 1275 CB SER A 81 -1.002 -10.811 -8.695 1.00 0.00 C ATOM 1276 OG SER A 81 -1.194 -12.191 -8.446 1.00 0.00 O ATOM 0 H SER A 81 0.470 -8.901 -9.523 1.00 0.00 H new ATOM 0 HA SER A 81 -0.104 -10.069 -6.853 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.920 -10.276 -8.452 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.821 -10.665 -9.760 1.00 0.00 H new ATOM 0 HG SER A 81 -1.948 -12.518 -8.980 1.00 0.00 H new ATOM 1282 N LEU A 82 2.402 -10.733 -8.731 1.00 0.00 N ATOM 1283 CA LEU A 82 3.839 -11.038 -8.530 1.00 0.00 C ATOM 1284 C LEU A 82 4.383 -10.145 -7.422 1.00 0.00 C ATOM 1285 O LEU A 82 4.647 -10.598 -6.309 1.00 0.00 O ATOM 1286 CB LEU A 82 4.512 -10.610 -9.898 1.00 0.00 C ATOM 1287 CG LEU A 82 4.926 -11.748 -10.828 1.00 0.00 C ATOM 1288 CD1 LEU A 82 4.126 -11.837 -12.150 1.00 0.00 C ATOM 1289 CD2 LEU A 82 6.401 -12.014 -10.906 1.00 0.00 C ATOM 0 H LEU A 82 2.236 -10.180 -9.572 1.00 0.00 H new ATOM 0 HA LEU A 82 4.022 -12.079 -8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.817 -9.964 -10.435 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.395 -10.012 -9.674 1.00 0.00 H new ATOM 0 HG LEU A 82 4.585 -12.643 -10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.493 -12.675 -12.742 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.070 -11.986 -11.927 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.251 -10.913 -12.714 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.586 -12.840 -11.593 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.913 -11.122 -11.266 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.777 -12.274 -9.916 1.00 0.00 H new ATOM 1301 N LEU A 83 4.615 -8.834 -7.754 1.00 0.00 N ATOM 1302 CA LEU A 83 5.361 -7.885 -6.842 1.00 0.00 C ATOM 1303 C LEU A 83 4.893 -8.184 -5.403 1.00 0.00 C ATOM 1304 O LEU A 83 5.634 -8.028 -4.458 1.00 0.00 O ATOM 1305 CB LEU A 83 4.920 -6.492 -7.289 1.00 0.00 C ATOM 1306 CG LEU A 83 5.034 -6.136 -8.797 1.00 0.00 C ATOM 1307 CD1 LEU A 83 4.685 -4.714 -9.191 1.00 0.00 C ATOM 1308 CD2 LEU A 83 6.318 -6.688 -9.415 1.00 0.00 C ATOM 0 H LEU A 83 4.305 -8.411 -8.629 1.00 0.00 H new ATOM 0 HA LEU A 83 6.447 -7.976 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.879 -6.361 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.504 -5.762 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 83 4.209 -6.670 -9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.805 -4.595 -10.268 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.652 -4.503 -8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.347 -4.020 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.360 -6.417 -10.470 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.181 -6.267 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.331 -7.774 -9.318 1.00 0.00 H new ATOM 1320 N TYR A 84 3.581 -8.584 -5.282 1.00 0.00 N ATOM 1321 CA TYR A 84 2.880 -8.936 -4.071 1.00 0.00 C ATOM 1322 C TYR A 84 3.380 -10.301 -3.522 1.00 0.00 C ATOM 1323 O TYR A 84 4.082 -10.338 -2.500 1.00 0.00 O ATOM 1324 CB TYR A 84 1.349 -8.984 -4.348 1.00 0.00 C ATOM 1325 CG TYR A 84 0.471 -9.126 -3.123 1.00 0.00 C ATOM 1326 CD1 TYR A 84 0.558 -8.169 -2.081 1.00 0.00 C ATOM 1327 CD2 TYR A 84 -0.415 -10.209 -3.033 1.00 0.00 C ATOM 1328 CE1 TYR A 84 -0.016 -8.478 -0.831 1.00 0.00 C ATOM 1329 CE2 TYR A 84 -1.063 -10.451 -1.823 1.00 0.00 C ATOM 1330 CZ TYR A 84 -0.863 -9.571 -0.747 1.00 0.00 C ATOM 1331 OH TYR A 84 -1.505 -9.835 0.437 1.00 0.00 O ATOM 0 H TYR A 84 2.979 -8.662 -6.101 1.00 0.00 H new ATOM 0 HA TYR A 84 3.081 -8.178 -3.314 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.064 -8.073 -4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.144 -9.818 -5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.054 -7.223 -2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.592 -10.845 -3.887 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.199 -7.877 0.040 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.713 -11.307 -1.714 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.172 -10.679 0.808 1.00 0.00 H new ATOM 1341 N GLY A 85 2.961 -11.379 -4.171 1.00 0.00 N ATOM 1342 CA GLY A 85 3.158 -12.778 -3.757 1.00 0.00 C ATOM 1343 C GLY A 85 4.528 -13.309 -4.208 1.00 0.00 C ATOM 1344 O GLY A 85 4.818 -14.489 -4.019 1.00 0.00 O ATOM 0 H GLY A 85 2.446 -11.306 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.076 -12.853 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.368 -13.399 -4.180 1.00 0.00 H new ATOM 1348 N LYS A 86 5.357 -12.441 -4.777 1.00 0.00 N ATOM 1349 CA LYS A 86 6.782 -12.685 -5.061 1.00 0.00 C ATOM 1350 C LYS A 86 7.718 -11.690 -4.370 1.00 0.00 C ATOM 1351 O LYS A 86 8.952 -11.759 -4.419 1.00 0.00 O ATOM 1352 CB LYS A 86 7.046 -12.821 -6.552 1.00 0.00 C ATOM 1353 CG LYS A 86 6.152 -13.919 -7.162 1.00 0.00 C ATOM 1354 CD LYS A 86 6.811 -14.773 -8.249 1.00 0.00 C ATOM 1355 CE LYS A 86 6.770 -16.261 -7.779 1.00 0.00 C ATOM 1356 NZ LYS A 86 8.114 -16.642 -7.304 1.00 0.00 N ATOM 0 H LYS A 86 5.052 -11.512 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 86 7.024 -13.649 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.854 -11.870 -7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.095 -13.063 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.816 -14.577 -6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.263 -13.448 -7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.285 -14.657 -9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.840 -14.453 -8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.038 -16.386 -6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.461 -16.909 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.102 -17.632 -6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.799 -16.534 -8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.389 -16.028 -6.511 1.00 0.00 H new ATOM 1370 N VAL A 87 7.081 -10.683 -3.709 1.00 0.00 N ATOM 1371 CA VAL A 87 7.671 -9.942 -2.553 1.00 0.00 C ATOM 1372 C VAL A 87 8.874 -9.134 -3.035 1.00 0.00 C ATOM 1373 O VAL A 87 10.044 -9.504 -2.970 1.00 0.00 O ATOM 1374 CB VAL A 87 7.876 -10.875 -1.383 1.00 0.00 C ATOM 1375 CG1 VAL A 87 9.271 -11.191 -0.892 1.00 0.00 C ATOM 1376 CG2 VAL A 87 6.864 -10.629 -0.195 1.00 0.00 C ATOM 0 H VAL A 87 6.146 -10.362 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 87 6.992 -9.191 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 87 7.633 -11.812 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.213 -11.877 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.844 -11.654 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.764 -10.271 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.070 -11.334 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.979 -9.611 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.844 -10.772 -0.551 1.00 0.00 H new ATOM 1386 N ASP A 88 8.553 -7.943 -3.650 1.00 0.00 N ATOM 1387 CA ASP A 88 9.428 -6.817 -3.929 1.00 0.00 C ATOM 1388 C ASP A 88 8.955 -5.508 -3.323 1.00 0.00 C ATOM 1389 O ASP A 88 8.091 -4.796 -3.871 1.00 0.00 O ATOM 1390 CB ASP A 88 9.645 -6.654 -5.462 1.00 0.00 C ATOM 1391 CG ASP A 88 10.364 -7.846 -6.140 1.00 0.00 C ATOM 1392 OD1 ASP A 88 9.798 -8.969 -6.053 1.00 0.00 O ATOM 1393 OD2 ASP A 88 11.500 -7.601 -6.647 1.00 0.00 O ATOM 0 H ASP A 88 7.602 -7.764 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 88 10.377 -7.052 -3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.676 -6.511 -5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.224 -5.748 -5.640 1.00 0.00 H new ATOM 1398 N GLY A 89 9.388 -5.231 -2.051 1.00 0.00 N ATOM 1399 CA GLY A 89 9.397 -3.889 -1.468 1.00 0.00 C ATOM 1400 C GLY A 89 9.452 -2.777 -2.500 1.00 0.00 C ATOM 1401 O GLY A 89 8.455 -2.070 -2.749 1.00 0.00 O ATOM 0 H GLY A 89 9.737 -5.950 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.504 -3.762 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.255 -3.797 -0.802 1.00 0.00 H new ATOM 1405 N LEU A 90 10.676 -2.583 -3.095 1.00 0.00 N ATOM 1406 CA LEU A 90 11.030 -1.475 -3.961 1.00 0.00 C ATOM 1407 C LEU A 90 9.895 -1.189 -4.974 1.00 0.00 C ATOM 1408 O LEU A 90 9.394 -0.077 -5.008 1.00 0.00 O ATOM 1409 CB LEU A 90 12.285 -1.998 -4.747 1.00 0.00 C ATOM 1410 CG LEU A 90 13.299 -1.010 -5.247 1.00 0.00 C ATOM 1411 CD1 LEU A 90 13.935 -1.376 -6.631 1.00 0.00 C ATOM 1412 CD2 LEU A 90 12.723 0.447 -5.321 1.00 0.00 C ATOM 0 H LEU A 90 11.449 -3.235 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 90 11.209 -0.558 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.806 -2.705 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 90 11.923 -2.560 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 90 14.093 -1.056 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 90 14.655 -0.609 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.441 -2.338 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.152 -1.436 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.494 1.125 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.870 0.467 -5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 90 12.405 0.763 -4.328 1.00 0.00 H new ATOM 1424 N GLY A 91 9.567 -2.222 -5.787 1.00 0.00 N ATOM 1425 CA GLY A 91 8.355 -2.198 -6.668 1.00 0.00 C ATOM 1426 C GLY A 91 7.163 -1.536 -5.994 1.00 0.00 C ATOM 1427 O GLY A 91 6.438 -0.751 -6.647 1.00 0.00 O ATOM 0 H GLY A 91 10.115 -3.080 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 91 8.590 -1.666 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.091 -3.218 -6.947 1.00 0.00 H new ATOM 1431 N VAL A 92 6.911 -1.872 -4.701 1.00 0.00 N ATOM 1432 CA VAL A 92 5.783 -1.317 -3.932 1.00 0.00 C ATOM 1433 C VAL A 92 5.919 0.146 -3.657 1.00 0.00 C ATOM 1434 O VAL A 92 4.904 0.934 -3.743 1.00 0.00 O ATOM 1435 CB VAL A 92 5.496 -2.207 -2.697 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.219 -1.773 -1.924 1.00 0.00 C ATOM 1437 CG2 VAL A 92 5.387 -3.717 -3.089 1.00 0.00 C ATOM 0 H VAL A 92 7.484 -2.531 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 92 4.884 -1.354 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 92 6.349 -2.072 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.069 -2.433 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.336 -0.747 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.355 -1.834 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.185 -4.311 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.575 -3.849 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.324 -4.045 -3.539 1.00 0.00 H new ATOM 1447 N LEU A 93 7.107 0.650 -3.270 1.00 0.00 N ATOM 1448 CA LEU A 93 7.470 2.064 -3.100 1.00 0.00 C ATOM 1449 C LEU A 93 7.425 2.754 -4.456 1.00 0.00 C ATOM 1450 O LEU A 93 6.745 3.798 -4.587 1.00 0.00 O ATOM 1451 CB LEU A 93 8.917 2.046 -2.528 1.00 0.00 C ATOM 1452 CG LEU A 93 9.950 3.022 -3.146 1.00 0.00 C ATOM 1453 CD1 LEU A 93 9.545 4.524 -3.113 1.00 0.00 C ATOM 1454 CD2 LEU A 93 11.339 2.820 -2.533 1.00 0.00 C ATOM 0 H LEU A 93 7.891 0.034 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 93 6.793 2.603 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.857 2.254 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.307 1.034 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 93 9.976 2.759 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.333 5.123 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.617 4.663 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.401 4.839 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.042 3.519 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.292 2.998 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.673 1.799 -2.717 1.00 0.00 H new ATOM 1466 N LYS A 94 8.178 2.251 -5.466 1.00 0.00 N ATOM 1467 CA LYS A 94 8.194 2.899 -6.811 1.00 0.00 C ATOM 1468 C LYS A 94 6.758 3.216 -7.313 1.00 0.00 C ATOM 1469 O LYS A 94 6.477 4.353 -7.686 1.00 0.00 O ATOM 1470 CB LYS A 94 8.918 2.003 -7.832 1.00 0.00 C ATOM 1471 CG LYS A 94 10.403 2.439 -7.936 1.00 0.00 C ATOM 1472 CD LYS A 94 10.549 3.934 -8.383 1.00 0.00 C ATOM 1473 CE LYS A 94 11.578 4.619 -7.470 1.00 0.00 C ATOM 1474 NZ LYS A 94 10.942 5.018 -6.205 1.00 0.00 N ATOM 0 H LYS A 94 8.768 1.423 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 94 8.733 3.841 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.854 0.959 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.436 2.080 -8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.889 2.301 -6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.920 1.796 -8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.870 3.988 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.588 4.444 -8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.408 3.941 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.994 5.494 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.641 5.496 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.154 5.667 -6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.581 4.174 -5.716 1.00 0.00 H new ATOM 1488 N ALA A 95 5.932 2.158 -7.421 1.00 0.00 N ATOM 1489 CA ALA A 95 4.508 2.239 -7.816 1.00 0.00 C ATOM 1490 C ALA A 95 3.768 3.380 -7.109 1.00 0.00 C ATOM 1491 O ALA A 95 3.109 4.210 -7.768 1.00 0.00 O ATOM 1492 CB ALA A 95 3.812 0.895 -7.598 1.00 0.00 C ATOM 0 H ALA A 95 6.239 1.204 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 95 4.478 2.470 -8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.766 0.975 -7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.302 0.130 -8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.871 0.621 -6.545 1.00 0.00 H new ATOM 1498 N ALA A 96 3.839 3.410 -5.766 1.00 0.00 N ATOM 1499 CA ALA A 96 3.108 4.346 -4.883 1.00 0.00 C ATOM 1500 C ALA A 96 3.471 5.815 -5.173 1.00 0.00 C ATOM 1501 O ALA A 96 2.659 6.720 -4.993 1.00 0.00 O ATOM 1502 CB ALA A 96 3.399 4.017 -3.410 1.00 0.00 C ATOM 0 H ALA A 96 4.427 2.761 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 96 2.044 4.222 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.857 4.711 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.078 2.998 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.469 4.108 -3.221 1.00 0.00 H new ATOM 1508 N VAL A 97 4.735 6.032 -5.617 1.00 0.00 N ATOM 1509 CA VAL A 97 5.274 7.300 -6.103 1.00 0.00 C ATOM 1510 C VAL A 97 4.584 7.686 -7.434 1.00 0.00 C ATOM 1511 O VAL A 97 4.265 8.870 -7.675 1.00 0.00 O ATOM 1512 CB VAL A 97 6.807 7.254 -6.173 1.00 0.00 C ATOM 1513 CG1 VAL A 97 7.462 8.559 -6.679 1.00 0.00 C ATOM 1514 CG2 VAL A 97 7.406 6.835 -4.799 1.00 0.00 C ATOM 0 H VAL A 97 5.428 5.284 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 97 5.047 8.099 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 97 7.044 6.499 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.545 8.439 -6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.104 8.779 -7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.199 9.380 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.493 6.808 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.109 7.556 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.036 5.847 -4.527 1.00 0.00 H new ATOM 1524 N ALA A 98 4.483 6.702 -8.340 1.00 0.00 N ATOM 1525 CA ALA A 98 3.770 6.813 -9.647 1.00 0.00 C ATOM 1526 C ALA A 98 2.307 7.221 -9.470 1.00 0.00 C ATOM 1527 O ALA A 98 1.765 8.050 -10.228 1.00 0.00 O ATOM 1528 CB ALA A 98 3.860 5.451 -10.378 1.00 0.00 C ATOM 0 H ALA A 98 4.899 5.782 -8.193 1.00 0.00 H new ATOM 0 HA ALA A 98 4.249 7.594 -10.237 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.343 5.517 -11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.906 5.197 -10.547 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.394 4.678 -9.766 1.00 0.00 H new ATOM 1534 N ALA A 99 1.644 6.602 -8.470 1.00 0.00 N ATOM 1535 CA ALA A 99 0.284 6.905 -8.035 1.00 0.00 C ATOM 1536 C ALA A 99 0.105 8.409 -7.723 1.00 0.00 C ATOM 1537 O ALA A 99 -0.804 9.062 -8.212 1.00 0.00 O ATOM 1538 CB ALA A 99 -0.108 6.060 -6.821 1.00 0.00 C ATOM 0 H ALA A 99 2.068 5.849 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.380 6.653 -8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.126 6.307 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.053 5.003 -7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.575 6.267 -5.997 1.00 0.00 H new ATOM 1544 N ILE A 100 1.003 8.894 -6.842 1.00 0.00 N ATOM 1545 CA ILE A 100 0.999 10.274 -6.273 1.00 0.00 C ATOM 1546 C ILE A 100 0.951 11.298 -7.453 1.00 0.00 C ATOM 1547 O ILE A 100 -0.068 11.935 -7.707 1.00 0.00 O ATOM 1548 CB ILE A 100 2.156 10.496 -5.292 1.00 0.00 C ATOM 1549 CG1 ILE A 100 1.702 10.461 -3.810 1.00 0.00 C ATOM 1550 CG2 ILE A 100 3.034 11.710 -5.603 1.00 0.00 C ATOM 1551 CD1 ILE A 100 2.822 10.455 -2.771 1.00 0.00 C ATOM 0 H ILE A 100 1.776 8.328 -6.492 1.00 0.00 H new ATOM 0 HA ILE A 100 0.108 10.427 -5.664 1.00 0.00 H new ATOM 0 HB ILE A 100 2.807 9.636 -5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.065 11.326 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.087 9.574 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.825 11.788 -4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.478 11.594 -6.592 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.426 12.614 -5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.390 10.430 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.450 9.576 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.427 11.355 -2.883 1.00 0.00 H new ATOM 1563 N LYS A 101 2.103 11.372 -8.140 1.00 0.00 N ATOM 1564 CA LYS A 101 2.315 12.299 -9.285 1.00 0.00 C ATOM 1565 C LYS A 101 1.476 11.925 -10.509 1.00 0.00 C ATOM 1566 O LYS A 101 1.513 12.639 -11.540 1.00 0.00 O ATOM 1567 CB LYS A 101 3.762 12.540 -9.619 1.00 0.00 C ATOM 1568 CG LYS A 101 4.087 12.664 -11.094 1.00 0.00 C ATOM 1569 CD LYS A 101 4.335 11.328 -11.834 1.00 0.00 C ATOM 1570 CE LYS A 101 3.907 11.449 -13.289 1.00 0.00 C ATOM 1571 NZ LYS A 101 3.949 10.111 -13.933 1.00 0.00 N ATOM 0 H LYS A 101 2.917 10.796 -7.925 1.00 0.00 H new ATOM 0 HA LYS A 101 1.945 13.264 -8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.084 13.453 -9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.352 11.723 -9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.267 13.186 -11.587 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.973 13.289 -11.202 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.391 11.063 -11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.779 10.526 -11.349 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.900 11.861 -13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.566 12.139 -13.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.656 10.195 -14.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.917 9.734 -13.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.303 9.466 -13.435 1.00 0.00 H new