USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 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 73 ASN : amide:sc= -4.23! C(o=-4.1!,f=-5.5!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -162:sc= 0.118 (180deg=0) USER MOD Set 2.1: A 26 GLN : amide:sc= -18.9! C(o=-24!,f=-30!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -132:sc= 0 (180deg=0) USER MOD Set 2.3: A 30 TYR OH : rot -60:sc= -5.02! USER MOD Set 3.1: A 10 SER OG : rot -85:sc= -3.86! USER MOD Set 3.2: A 16 THR OG1 : rot 48:sc= -0.17! USER MOD Set 3.3: A 84 TYR OH : rot 15:sc= -4.33! USER MOD Set 4.1: A 5 HIS : no HE2:sc= -4.54! C(o=-4.4!,f=-2!) USER MOD Set 4.2: A 7 TYR OH : rot 100:sc= 0.109 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -159:sc= 0.887 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -73:sc= 0.292 USER MOD Single : A 17 SER OG : rot -75:sc= 0.714 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 142:sc= -4.53 (180deg=-8.83!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= -0.0128 (180deg=-0.748) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.5!) USER MOD Single : A 59 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.056) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -145:sc= -2.33 (180deg=-4.82!) USER MOD Single : A 68 GLN : amide:sc= -6.07! C(o=-6.1!,f=-14!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 4 5.375 10.649 6.583 1.00 0.00 N ATOM 56 CA LYS A 4 4.372 10.089 5.627 1.00 0.00 C ATOM 57 C LYS A 4 4.155 8.585 5.867 1.00 0.00 C ATOM 58 O LYS A 4 4.925 7.944 6.574 1.00 0.00 O ATOM 59 CB LYS A 4 4.855 10.341 4.191 1.00 0.00 C ATOM 60 CG LYS A 4 4.370 11.714 3.683 1.00 0.00 C ATOM 61 CD LYS A 4 4.181 11.821 2.176 1.00 0.00 C ATOM 62 CE LYS A 4 5.567 11.987 1.501 1.00 0.00 C ATOM 63 NZ LYS A 4 5.706 13.345 0.952 1.00 0.00 N ATOM 0 HA LYS A 4 3.415 10.586 5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.944 10.299 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.485 9.554 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.423 11.949 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.086 12.473 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.682 10.930 1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.542 12.671 1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.358 11.798 2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.682 11.252 0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.639 13.444 0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.961 13.512 0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.616 14.041 1.720 1.00 0.00 H new ATOM 77 N HIS A 5 3.059 8.054 5.269 1.00 0.00 N ATOM 78 CA HIS A 5 2.546 6.683 5.473 1.00 0.00 C ATOM 79 C HIS A 5 2.047 6.076 4.119 1.00 0.00 C ATOM 80 O HIS A 5 1.097 6.553 3.519 1.00 0.00 O ATOM 81 CB HIS A 5 1.410 6.679 6.499 1.00 0.00 C ATOM 82 CG HIS A 5 1.744 7.399 7.806 1.00 0.00 C ATOM 83 ND1 HIS A 5 0.884 8.074 8.602 1.00 0.00 N ATOM 84 CD2 HIS A 5 2.992 7.515 8.339 1.00 0.00 C ATOM 85 CE1 HIS A 5 1.615 8.681 9.570 1.00 0.00 C ATOM 86 NE2 HIS A 5 2.848 8.104 9.530 1.00 0.00 N ATOM 0 H HIS A 5 2.492 8.589 4.611 1.00 0.00 H new ATOM 0 HA HIS A 5 3.362 6.069 5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.532 7.146 6.054 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.142 5.647 6.724 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -0.129 8.119 8.494 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.919 7.193 7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.286 9.464 10.237 1.00 0.00 H new ATOM 94 N ILE A 6 2.720 4.965 3.756 1.00 0.00 N ATOM 95 CA ILE A 6 2.235 3.931 2.793 1.00 0.00 C ATOM 96 C ILE A 6 1.648 2.727 3.508 1.00 0.00 C ATOM 97 O ILE A 6 2.313 1.810 3.973 1.00 0.00 O ATOM 98 CB ILE A 6 3.374 3.595 1.773 1.00 0.00 C ATOM 99 CG1 ILE A 6 3.885 4.872 1.060 1.00 0.00 C ATOM 100 CG2 ILE A 6 3.053 2.441 0.877 1.00 0.00 C ATOM 101 CD1 ILE A 6 5.257 4.804 0.385 1.00 0.00 C ATOM 0 H ILE A 6 3.644 4.748 4.130 1.00 0.00 H new ATOM 0 HA ILE A 6 1.402 4.326 2.212 1.00 0.00 H new ATOM 0 HB ILE A 6 4.227 3.223 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.152 5.151 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.910 5.679 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.887 2.265 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.882 1.549 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.156 2.667 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.485 5.767 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.017 4.566 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.247 4.031 -0.383 1.00 0.00 H new ATOM 113 N TYR A 7 0.260 2.710 3.583 1.00 0.00 N ATOM 114 CA TYR A 7 -0.541 1.583 3.929 1.00 0.00 C ATOM 115 C TYR A 7 -0.964 0.696 2.763 1.00 0.00 C ATOM 116 O TYR A 7 -1.089 1.143 1.593 1.00 0.00 O ATOM 117 CB TYR A 7 -1.706 1.884 4.893 1.00 0.00 C ATOM 118 CG TYR A 7 -1.274 2.811 6.073 1.00 0.00 C ATOM 119 CD1 TYR A 7 0.039 2.724 6.541 1.00 0.00 C ATOM 120 CD2 TYR A 7 -2.207 3.663 6.588 1.00 0.00 C ATOM 121 CE1 TYR A 7 0.421 3.543 7.629 1.00 0.00 C ATOM 122 CE2 TYR A 7 -1.890 4.385 7.761 1.00 0.00 C ATOM 123 CZ TYR A 7 -0.548 4.334 8.235 1.00 0.00 C ATOM 124 OH TYR A 7 -0.246 5.036 9.347 1.00 0.00 O ATOM 0 H TYR A 7 -0.299 3.540 3.386 1.00 0.00 H new ATOM 0 HA TYR A 7 0.163 0.978 4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.518 2.357 4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.095 0.948 5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.746 2.048 6.083 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.168 3.783 6.109 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.442 3.554 7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.643 4.958 8.282 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.070 5.970 9.107 1.00 0.00 H new ATOM 134 N LEU A 8 -1.171 -0.585 3.095 1.00 0.00 N ATOM 135 CA LEU A 8 -1.449 -1.712 2.191 1.00 0.00 C ATOM 136 C LEU A 8 -2.650 -2.458 2.777 1.00 0.00 C ATOM 137 O LEU A 8 -2.799 -2.514 4.003 1.00 0.00 O ATOM 138 CB LEU A 8 -0.164 -2.581 2.184 1.00 0.00 C ATOM 139 CG LEU A 8 0.904 -2.342 1.095 1.00 0.00 C ATOM 140 CD1 LEU A 8 2.182 -1.638 1.598 1.00 0.00 C ATOM 141 CD2 LEU A 8 1.173 -3.575 0.239 1.00 0.00 C ATOM 0 H LEU A 8 -1.147 -0.883 4.070 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.689 -1.422 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.321 -2.456 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.474 -3.624 2.115 1.00 0.00 H new ATOM 0 HG LEU A 8 0.455 -1.613 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.877 -1.510 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.922 -0.662 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.650 -2.244 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.933 -3.341 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.525 -4.388 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.254 -3.878 -0.262 1.00 0.00 H new ATOM 153 N PHE A 9 -3.581 -2.936 1.915 1.00 0.00 N ATOM 154 CA PHE A 9 -5.000 -3.277 2.227 1.00 0.00 C ATOM 155 C PHE A 9 -5.374 -4.531 1.390 1.00 0.00 C ATOM 156 O PHE A 9 -5.824 -4.429 0.275 1.00 0.00 O ATOM 157 CB PHE A 9 -5.872 -2.065 1.962 1.00 0.00 C ATOM 158 CG PHE A 9 -5.583 -0.834 2.871 1.00 0.00 C ATOM 159 CD1 PHE A 9 -4.958 -1.082 4.092 1.00 0.00 C ATOM 160 CD2 PHE A 9 -5.968 0.465 2.507 1.00 0.00 C ATOM 161 CE1 PHE A 9 -4.828 -0.075 5.044 1.00 0.00 C ATOM 162 CE2 PHE A 9 -5.792 1.509 3.439 1.00 0.00 C ATOM 163 CZ PHE A 9 -4.974 1.264 4.591 1.00 0.00 C ATOM 0 H PHE A 9 -3.356 -3.104 0.934 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.154 -3.528 3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.746 -1.766 0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.916 -2.353 2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.570 -2.068 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.391 0.662 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.625 -0.301 6.080 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.262 2.470 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.481 2.078 5.102 1.00 0.00 H new ATOM 173 N SER A 10 -4.985 -5.756 1.904 1.00 0.00 N ATOM 174 CA SER A 10 -4.694 -6.931 1.105 1.00 0.00 C ATOM 175 C SER A 10 -4.466 -8.175 1.986 1.00 0.00 C ATOM 176 O SER A 10 -4.325 -8.090 3.217 1.00 0.00 O ATOM 177 CB SER A 10 -3.413 -6.706 0.259 1.00 0.00 C ATOM 178 OG SER A 10 -3.369 -7.680 -0.825 1.00 0.00 O ATOM 0 H SER A 10 -4.874 -5.918 2.905 1.00 0.00 H new ATOM 0 HA SER A 10 -5.557 -7.096 0.460 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.405 -5.694 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.528 -6.805 0.887 1.00 0.00 H new ATOM 0 HG SER A 10 -2.966 -8.512 -0.501 1.00 0.00 H new ATOM 184 N SER A 11 -4.374 -9.345 1.305 1.00 0.00 N ATOM 185 CA SER A 11 -3.659 -10.527 1.836 1.00 0.00 C ATOM 186 C SER A 11 -4.538 -11.342 2.786 1.00 0.00 C ATOM 187 O SER A 11 -4.323 -11.411 3.991 1.00 0.00 O ATOM 188 CB SER A 11 -2.335 -10.137 2.450 1.00 0.00 C ATOM 189 OG SER A 11 -1.684 -11.207 3.163 1.00 0.00 O ATOM 0 H SER A 11 -4.788 -9.492 0.385 1.00 0.00 H new ATOM 0 HA SER A 11 -3.431 -11.184 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.671 -9.782 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.494 -9.303 3.133 1.00 0.00 H new ATOM 0 HG SER A 11 -1.037 -10.832 3.796 1.00 0.00 H new ATOM 195 N ALA A 12 -5.533 -12.051 2.197 1.00 0.00 N ATOM 196 CA ALA A 12 -6.274 -13.172 2.772 1.00 0.00 C ATOM 197 C ALA A 12 -5.402 -14.117 3.577 1.00 0.00 C ATOM 198 O ALA A 12 -5.849 -14.999 4.333 1.00 0.00 O ATOM 199 CB ALA A 12 -7.056 -13.924 1.665 1.00 0.00 C ATOM 0 H ALA A 12 -5.849 -11.832 1.252 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.985 -12.752 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.603 -14.756 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.758 -13.241 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.357 -14.304 0.920 1.00 0.00 H new ATOM 205 N GLY A 13 -4.064 -13.952 3.395 1.00 0.00 N ATOM 206 CA GLY A 13 -3.006 -14.358 4.352 1.00 0.00 C ATOM 207 C GLY A 13 -1.673 -14.652 3.739 1.00 0.00 C ATOM 208 O GLY A 13 -1.312 -15.836 3.488 1.00 0.00 O ATOM 0 H GLY A 13 -3.684 -13.520 2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.882 -13.565 5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.345 -15.244 4.889 1.00 0.00 H new ATOM 212 N MET A 14 -0.861 -13.622 3.430 1.00 0.00 N ATOM 213 CA MET A 14 0.582 -13.619 3.342 1.00 0.00 C ATOM 214 C MET A 14 1.130 -12.429 2.537 1.00 0.00 C ATOM 215 O MET A 14 1.175 -11.310 3.105 1.00 0.00 O ATOM 216 CB MET A 14 1.181 -14.940 2.948 1.00 0.00 C ATOM 217 CG MET A 14 0.647 -15.573 1.701 1.00 0.00 C ATOM 218 SD MET A 14 -0.739 -14.740 0.865 1.00 0.00 S ATOM 219 CE MET A 14 -1.361 -16.123 -0.075 1.00 0.00 C ATOM 0 H MET A 14 -1.247 -12.701 3.221 1.00 0.00 H new ATOM 0 HA MET A 14 0.925 -13.468 4.365 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.256 -14.804 2.828 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.038 -15.638 3.773 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.468 -15.658 0.989 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.332 -16.587 1.947 1.00 0.00 H new ATOM 0 HE1 MET A 14 -2.224 -15.806 -0.661 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.582 -16.487 -0.745 1.00 0.00 H new ATOM 0 HE3 MET A 14 -1.657 -16.921 0.605 1.00 0.00 H new ATOM 229 N SER A 15 1.560 -12.706 1.304 1.00 0.00 N ATOM 230 CA SER A 15 1.973 -11.614 0.325 1.00 0.00 C ATOM 231 C SER A 15 1.303 -10.307 0.727 1.00 0.00 C ATOM 232 O SER A 15 0.109 -10.272 1.048 1.00 0.00 O ATOM 233 CB SER A 15 1.579 -12.079 -1.071 1.00 0.00 C ATOM 234 OG SER A 15 2.259 -11.337 -2.104 1.00 0.00 O ATOM 0 H SER A 15 1.642 -13.653 0.933 1.00 0.00 H new ATOM 0 HA SER A 15 3.048 -11.433 0.336 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.808 -13.139 -1.177 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.502 -11.971 -1.198 1.00 0.00 H new ATOM 0 HG SER A 15 1.881 -10.435 -2.161 1.00 0.00 H new ATOM 240 N THR A 16 2.081 -9.201 0.688 1.00 0.00 N ATOM 241 CA THR A 16 1.933 -7.986 1.514 1.00 0.00 C ATOM 242 C THR A 16 3.059 -7.883 2.580 1.00 0.00 C ATOM 243 O THR A 16 3.944 -7.052 2.527 1.00 0.00 O ATOM 244 CB THR A 16 0.602 -7.918 2.286 1.00 0.00 C ATOM 245 OG1 THR A 16 -0.528 -7.991 1.430 1.00 0.00 O ATOM 246 CG2 THR A 16 0.553 -6.717 3.280 1.00 0.00 C ATOM 0 H THR A 16 2.870 -9.131 0.045 1.00 0.00 H new ATOM 0 HA THR A 16 1.978 -7.169 0.794 1.00 0.00 H new ATOM 0 HB THR A 16 0.553 -8.813 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.416 -8.736 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.405 -6.713 3.799 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.359 -6.813 4.007 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.671 -5.784 2.729 1.00 0.00 H new ATOM 254 N SER A 17 2.884 -8.749 3.614 1.00 0.00 N ATOM 255 CA SER A 17 3.502 -8.600 4.948 1.00 0.00 C ATOM 256 C SER A 17 5.003 -8.265 4.864 1.00 0.00 C ATOM 257 O SER A 17 5.505 -7.277 5.430 1.00 0.00 O ATOM 258 CB SER A 17 3.258 -9.858 5.769 1.00 0.00 C ATOM 259 OG SER A 17 3.248 -11.058 4.963 1.00 0.00 O ATOM 0 H SER A 17 2.299 -9.581 3.537 1.00 0.00 H new ATOM 0 HA SER A 17 3.030 -7.753 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.032 -9.944 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.305 -9.767 6.290 1.00 0.00 H new ATOM 0 HG SER A 17 2.409 -11.106 4.459 1.00 0.00 H new ATOM 265 N LEU A 18 5.731 -9.096 4.083 1.00 0.00 N ATOM 266 CA LEU A 18 7.169 -8.993 3.807 1.00 0.00 C ATOM 267 C LEU A 18 7.439 -7.863 2.797 1.00 0.00 C ATOM 268 O LEU A 18 8.591 -7.413 2.730 1.00 0.00 O ATOM 269 CB LEU A 18 7.619 -10.348 3.244 1.00 0.00 C ATOM 270 CG LEU A 18 8.775 -11.095 3.906 1.00 0.00 C ATOM 271 CD1 LEU A 18 8.466 -11.689 5.299 1.00 0.00 C ATOM 272 CD2 LEU A 18 9.358 -12.179 2.923 1.00 0.00 C ATOM 0 H LEU A 18 5.304 -9.892 3.609 1.00 0.00 H new ATOM 0 HA LEU A 18 7.724 -8.755 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.753 -11.010 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.887 -10.194 2.199 1.00 0.00 H new ATOM 0 HG LEU A 18 9.535 -10.340 4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.351 -12.198 5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.184 -10.888 5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.645 -12.401 5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.181 -12.704 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.576 -12.892 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.721 -11.692 2.018 1.00 0.00 H new ATOM 284 N LEU A 19 6.438 -7.494 1.964 1.00 0.00 N ATOM 285 CA LEU A 19 6.483 -6.440 0.951 1.00 0.00 C ATOM 286 C LEU A 19 6.365 -5.071 1.561 1.00 0.00 C ATOM 287 O LEU A 19 6.903 -4.061 1.010 1.00 0.00 O ATOM 288 CB LEU A 19 5.352 -6.724 -0.056 1.00 0.00 C ATOM 289 CG LEU A 19 4.313 -5.678 -0.447 1.00 0.00 C ATOM 290 CD1 LEU A 19 4.754 -4.201 -0.511 1.00 0.00 C ATOM 291 CD2 LEU A 19 3.508 -6.102 -1.702 1.00 0.00 C ATOM 0 H LEU A 19 5.530 -7.957 1.991 1.00 0.00 H new ATOM 0 HA LEU A 19 7.447 -6.446 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.832 -7.045 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.800 -7.581 0.331 1.00 0.00 H new ATOM 0 HG LEU A 19 3.657 -5.675 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.906 -3.581 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.115 -3.886 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.553 -4.091 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.779 -5.329 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.189 -6.237 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.989 -7.039 -1.502 1.00 0.00 H new ATOM 303 N VAL A 20 5.604 -4.872 2.670 1.00 0.00 N ATOM 304 CA VAL A 20 5.660 -3.711 3.561 1.00 0.00 C ATOM 305 C VAL A 20 7.112 -3.733 4.206 1.00 0.00 C ATOM 306 O VAL A 20 7.739 -2.723 4.343 1.00 0.00 O ATOM 307 CB VAL A 20 4.581 -3.877 4.645 1.00 0.00 C ATOM 308 CG1 VAL A 20 5.015 -4.677 5.892 1.00 0.00 C ATOM 309 CG2 VAL A 20 3.931 -2.545 5.053 1.00 0.00 C ATOM 0 H VAL A 20 4.908 -5.555 2.969 1.00 0.00 H new ATOM 0 HA VAL A 20 5.480 -2.769 3.044 1.00 0.00 H new ATOM 0 HB VAL A 20 3.828 -4.490 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.183 -4.736 6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.311 -5.683 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.858 -4.178 6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.179 -2.727 5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.694 -1.873 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.459 -2.089 4.183 1.00 0.00 H new ATOM 319 N SER A 21 7.468 -4.958 4.658 1.00 0.00 N ATOM 320 CA SER A 21 8.665 -5.233 5.463 1.00 0.00 C ATOM 321 C SER A 21 9.959 -5.333 4.692 1.00 0.00 C ATOM 322 O SER A 21 11.073 -5.386 5.271 1.00 0.00 O ATOM 323 CB SER A 21 8.438 -6.464 6.343 1.00 0.00 C ATOM 324 OG SER A 21 8.015 -6.079 7.675 1.00 0.00 O ATOM 0 H SER A 21 6.916 -5.794 4.466 1.00 0.00 H new ATOM 0 HA SER A 21 8.802 -4.350 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.683 -7.106 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.357 -7.047 6.404 1.00 0.00 H new ATOM 0 HG SER A 21 7.874 -6.882 8.219 1.00 0.00 H new ATOM 330 N LYS A 22 9.877 -5.259 3.347 1.00 0.00 N ATOM 331 CA LYS A 22 11.032 -4.973 2.468 1.00 0.00 C ATOM 332 C LYS A 22 11.009 -3.509 1.964 1.00 0.00 C ATOM 333 O LYS A 22 12.052 -2.878 1.809 1.00 0.00 O ATOM 334 CB LYS A 22 11.096 -5.926 1.259 1.00 0.00 C ATOM 335 CG LYS A 22 12.121 -5.426 0.223 1.00 0.00 C ATOM 336 CD LYS A 22 12.280 -6.203 -1.061 1.00 0.00 C ATOM 337 CE LYS A 22 11.930 -7.680 -0.943 1.00 0.00 C ATOM 338 NZ LYS A 22 13.178 -8.524 -0.927 1.00 0.00 N ATOM 0 H LYS A 22 9.004 -5.396 2.837 1.00 0.00 H new ATOM 0 HA LYS A 22 11.922 -5.131 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.368 -6.927 1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.112 -6.001 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.856 -4.402 -0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.095 -5.388 0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.649 -5.751 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.311 -6.111 -1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.358 -7.851 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.295 -7.976 -1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.917 -9.528 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.710 -8.374 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.770 -8.253 -0.116 1.00 0.00 H new ATOM 352 N MET A 23 9.782 -3.034 1.727 1.00 0.00 N ATOM 353 CA MET A 23 9.481 -1.556 1.549 1.00 0.00 C ATOM 354 C MET A 23 10.116 -0.768 2.726 1.00 0.00 C ATOM 355 O MET A 23 10.581 0.322 2.589 1.00 0.00 O ATOM 356 CB MET A 23 7.957 -1.404 1.543 1.00 0.00 C ATOM 357 CG MET A 23 7.428 -1.668 0.061 1.00 0.00 C ATOM 358 SD MET A 23 5.630 -1.243 -0.065 1.00 0.00 S ATOM 359 CE MET A 23 5.724 0.520 -0.191 1.00 0.00 C ATOM 0 H MET A 23 8.959 -3.631 1.649 1.00 0.00 H new ATOM 0 HA MET A 23 9.895 -1.165 0.619 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.503 -2.110 2.239 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.675 -0.404 1.874 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.000 -1.071 -0.649 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.581 -2.714 -0.206 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.969 0.875 -0.892 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.548 0.965 0.788 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.713 0.807 -0.547 1.00 0.00 H new ATOM 369 N ARG A 24 10.000 -1.431 3.927 1.00 0.00 N ATOM 370 CA ARG A 24 10.662 -0.969 5.154 1.00 0.00 C ATOM 371 C ARG A 24 12.179 -1.186 5.050 1.00 0.00 C ATOM 372 O ARG A 24 12.987 -0.378 5.481 1.00 0.00 O ATOM 373 CB ARG A 24 10.100 -1.653 6.396 1.00 0.00 C ATOM 374 CG ARG A 24 8.612 -1.302 6.651 1.00 0.00 C ATOM 375 CD ARG A 24 7.972 -2.268 7.660 1.00 0.00 C ATOM 376 NE ARG A 24 6.916 -1.611 8.431 1.00 0.00 N ATOM 377 CZ ARG A 24 6.546 -1.883 9.708 1.00 0.00 C ATOM 378 NH1 ARG A 24 7.135 -2.870 10.407 1.00 0.00 N ATOM 379 NH2 ARG A 24 5.604 -1.134 10.327 1.00 0.00 N ATOM 0 H ARG A 24 9.451 -2.282 4.048 1.00 0.00 H new ATOM 0 HA ARG A 24 10.463 0.098 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.201 -2.733 6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.691 -1.363 7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.537 -0.281 7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.062 -1.339 5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.558 -3.127 7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.737 -2.648 8.337 1.00 0.00 H new ATOM 0 HE ARG A 24 6.402 -0.868 7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.873 -3.428 9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.844 -3.060 11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.165 -0.357 9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.333 -1.347 11.287 1.00 0.00 H new ATOM 393 N ALA A 25 12.548 -2.390 4.523 1.00 0.00 N ATOM 394 CA ALA A 25 13.923 -2.649 3.992 1.00 0.00 C ATOM 395 C ALA A 25 14.479 -1.465 3.217 1.00 0.00 C ATOM 396 O ALA A 25 15.431 -0.797 3.689 1.00 0.00 O ATOM 397 CB ALA A 25 13.976 -3.938 3.183 1.00 0.00 C ATOM 0 H ALA A 25 11.920 -3.190 4.454 1.00 0.00 H new ATOM 0 HA ALA A 25 14.575 -2.782 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.989 -4.094 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.688 -4.777 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.289 -3.867 2.340 1.00 0.00 H new ATOM 403 N GLN A 26 13.911 -1.170 2.036 1.00 0.00 N ATOM 404 CA GLN A 26 13.977 0.110 1.341 1.00 0.00 C ATOM 405 C GLN A 26 14.120 1.295 2.368 1.00 0.00 C ATOM 406 O GLN A 26 15.182 1.826 2.607 1.00 0.00 O ATOM 407 CB GLN A 26 12.671 0.272 0.572 1.00 0.00 C ATOM 408 CG GLN A 26 12.374 -0.504 -0.633 1.00 0.00 C ATOM 409 CD GLN A 26 12.984 -1.886 -0.777 1.00 0.00 C ATOM 410 OE1 GLN A 26 12.376 -2.991 -0.614 1.00 0.00 O ATOM 411 NE2 GLN A 26 14.285 -1.939 -1.181 1.00 0.00 N ATOM 0 H GLN A 26 13.366 -1.860 1.519 1.00 0.00 H new ATOM 0 HA GLN A 26 14.841 0.130 0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.865 0.074 1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.600 1.323 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.291 -0.612 -0.698 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.688 0.087 -1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.810 -1.076 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.733 -2.841 -1.340 1.00 0.00 H new ATOM 420 N ALA A 27 12.947 1.694 2.916 1.00 0.00 N ATOM 421 CA ALA A 27 12.725 2.966 3.601 1.00 0.00 C ATOM 422 C ALA A 27 13.859 3.294 4.613 1.00 0.00 C ATOM 423 O ALA A 27 14.207 4.472 4.803 1.00 0.00 O ATOM 424 CB ALA A 27 11.367 3.001 4.305 1.00 0.00 C ATOM 0 H ALA A 27 12.110 1.112 2.886 1.00 0.00 H new ATOM 0 HA ALA A 27 12.733 3.733 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.240 3.963 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.573 2.864 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.320 2.201 5.044 1.00 0.00 H new ATOM 430 N GLU A 28 14.343 2.250 5.260 1.00 0.00 N ATOM 431 CA GLU A 28 15.428 2.302 6.288 1.00 0.00 C ATOM 432 C GLU A 28 16.774 1.985 5.626 1.00 0.00 C ATOM 433 O GLU A 28 17.857 2.375 6.090 1.00 0.00 O ATOM 434 CB GLU A 28 15.130 1.211 7.361 1.00 0.00 C ATOM 435 CG GLU A 28 13.828 1.491 8.104 1.00 0.00 C ATOM 436 CD GLU A 28 14.070 2.041 9.536 1.00 0.00 C ATOM 437 OE1 GLU A 28 15.308 2.356 9.770 1.00 0.00 O ATOM 438 OE2 GLU A 28 13.145 2.188 10.318 1.00 0.00 O ATOM 0 H GLU A 28 13.999 1.304 5.098 1.00 0.00 H new ATOM 0 HA GLU A 28 15.469 3.292 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.072 0.234 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.954 1.167 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.237 2.210 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.243 0.573 8.164 1.00 0.00 H new ATOM 445 N LYS A 29 16.704 1.201 4.518 1.00 0.00 N ATOM 446 CA LYS A 29 17.881 1.074 3.566 1.00 0.00 C ATOM 447 C LYS A 29 18.326 2.491 3.110 1.00 0.00 C ATOM 448 O LYS A 29 19.458 2.728 2.695 1.00 0.00 O ATOM 449 CB LYS A 29 17.352 0.317 2.312 1.00 0.00 C ATOM 450 CG LYS A 29 18.446 0.221 1.259 1.00 0.00 C ATOM 451 CD LYS A 29 18.641 -1.297 0.761 1.00 0.00 C ATOM 452 CE LYS A 29 17.315 -1.562 0.012 1.00 0.00 C ATOM 453 NZ LYS A 29 17.419 -2.718 -0.914 1.00 0.00 N ATOM 0 H LYS A 29 15.883 0.658 4.252 1.00 0.00 H new ATOM 0 HA LYS A 29 18.716 0.560 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.019 -0.682 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.486 0.837 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.194 0.856 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 29 19.384 0.595 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.507 -1.404 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.783 -1.985 1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.521 -1.748 0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.032 -0.672 -0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.030 -2.455 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.418 -2.988 -1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.882 -3.521 -0.528 1.00 0.00 H new ATOM 467 N TYR A 30 17.336 3.413 3.171 1.00 0.00 N ATOM 468 CA TYR A 30 17.415 4.824 2.748 1.00 0.00 C ATOM 469 C TYR A 30 17.456 5.778 3.892 1.00 0.00 C ATOM 470 O TYR A 30 18.549 6.247 4.376 1.00 0.00 O ATOM 471 CB TYR A 30 16.179 5.036 1.766 1.00 0.00 C ATOM 472 CG TYR A 30 16.162 3.927 0.660 1.00 0.00 C ATOM 473 CD1 TYR A 30 17.375 3.719 -0.036 1.00 0.00 C ATOM 474 CD2 TYR A 30 15.037 3.189 0.407 1.00 0.00 C ATOM 475 CE1 TYR A 30 17.445 2.641 -0.925 1.00 0.00 C ATOM 476 CE2 TYR A 30 15.085 2.106 -0.495 1.00 0.00 C ATOM 477 CZ TYR A 30 16.305 1.868 -1.163 1.00 0.00 C ATOM 478 OH TYR A 30 16.395 0.836 -2.051 1.00 0.00 O ATOM 0 H TYR A 30 16.414 3.176 3.537 1.00 0.00 H new ATOM 0 HA TYR A 30 18.353 5.038 2.236 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.248 5.008 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.240 6.020 1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 30 18.222 4.372 0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.109 3.437 0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.374 2.408 -1.424 1.00 0.00 H new ATOM 0 HE2 TYR A 30 14.221 1.482 -0.668 1.00 0.00 H new ATOM 0 HH TYR A 30 16.650 1.183 -2.931 1.00 0.00 H new ATOM 488 N GLU A 31 16.260 6.131 4.438 1.00 0.00 N ATOM 489 CA GLU A 31 15.990 7.235 5.319 1.00 0.00 C ATOM 490 C GLU A 31 14.748 8.060 4.994 1.00 0.00 C ATOM 491 O GLU A 31 14.643 9.232 5.413 1.00 0.00 O ATOM 492 CB GLU A 31 17.230 8.150 5.503 1.00 0.00 C ATOM 493 CG GLU A 31 18.050 7.683 6.758 1.00 0.00 C ATOM 494 CD GLU A 31 19.550 7.911 6.602 1.00 0.00 C ATOM 495 OE1 GLU A 31 20.021 9.046 6.834 1.00 0.00 O ATOM 496 OE2 GLU A 31 20.229 6.895 6.260 1.00 0.00 O ATOM 0 H GLU A 31 15.416 5.593 4.241 1.00 0.00 H new ATOM 0 HA GLU A 31 15.758 6.749 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.857 8.113 4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.914 9.186 5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.695 8.219 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.864 6.623 6.934 1.00 0.00 H new ATOM 503 N VAL A 32 13.844 7.512 4.167 1.00 0.00 N ATOM 504 CA VAL A 32 12.597 8.144 3.698 1.00 0.00 C ATOM 505 C VAL A 32 11.592 8.349 4.831 1.00 0.00 C ATOM 506 O VAL A 32 11.150 7.404 5.501 1.00 0.00 O ATOM 507 CB VAL A 32 12.034 7.257 2.512 1.00 0.00 C ATOM 508 CG1 VAL A 32 11.009 7.979 1.632 1.00 0.00 C ATOM 509 CG2 VAL A 32 13.202 6.682 1.667 1.00 0.00 C ATOM 0 H VAL A 32 13.967 6.573 3.789 1.00 0.00 H new ATOM 0 HA VAL A 32 12.794 9.151 3.331 1.00 0.00 H new ATOM 0 HB VAL A 32 11.488 6.434 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.670 7.308 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.157 8.283 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.469 8.860 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.800 6.075 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.788 7.502 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.840 6.065 2.300 1.00 0.00 H new ATOM 519 N PRO A 33 11.267 9.636 5.122 1.00 0.00 N ATOM 520 CA PRO A 33 10.337 10.072 6.163 1.00 0.00 C ATOM 521 C PRO A 33 8.843 9.720 6.050 1.00 0.00 C ATOM 522 O PRO A 33 7.945 10.555 6.091 1.00 0.00 O ATOM 523 CB PRO A 33 10.629 11.518 6.424 1.00 0.00 C ATOM 524 CG PRO A 33 11.184 12.033 5.113 1.00 0.00 C ATOM 525 CD PRO A 33 11.980 10.812 4.546 1.00 0.00 C ATOM 0 HA PRO A 33 10.536 9.447 7.034 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.728 12.059 6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.348 11.638 7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.389 12.343 4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.830 12.898 5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.967 10.795 3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.026 10.837 4.852 1.00 0.00 H new ATOM 533 N VAL A 34 8.642 8.371 6.053 1.00 0.00 N ATOM 534 CA VAL A 34 7.372 7.710 5.787 1.00 0.00 C ATOM 535 C VAL A 34 7.355 6.311 6.470 1.00 0.00 C ATOM 536 O VAL A 34 8.380 5.849 6.987 1.00 0.00 O ATOM 537 CB VAL A 34 7.122 7.641 4.256 1.00 0.00 C ATOM 538 CG1 VAL A 34 8.411 7.825 3.412 1.00 0.00 C ATOM 539 CG2 VAL A 34 6.373 6.358 3.822 1.00 0.00 C ATOM 0 H VAL A 34 9.395 7.712 6.249 1.00 0.00 H new ATOM 0 HA VAL A 34 6.550 8.284 6.215 1.00 0.00 H new ATOM 0 HB VAL A 34 6.473 8.492 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.163 7.766 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.851 8.798 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.125 7.040 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.229 6.369 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.959 5.482 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.403 6.318 4.317 1.00 0.00 H new ATOM 549 N ILE A 35 6.150 5.718 6.522 1.00 0.00 N ATOM 550 CA ILE A 35 5.834 4.460 7.257 1.00 0.00 C ATOM 551 C ILE A 35 4.878 3.578 6.474 1.00 0.00 C ATOM 552 O ILE A 35 3.732 3.943 6.192 1.00 0.00 O ATOM 553 CB ILE A 35 5.431 4.758 8.728 1.00 0.00 C ATOM 554 CG1 ILE A 35 6.262 5.893 9.325 1.00 0.00 C ATOM 555 CG2 ILE A 35 5.355 3.502 9.596 1.00 0.00 C ATOM 556 CD1 ILE A 35 6.327 6.009 10.845 1.00 0.00 C ATOM 0 H ILE A 35 5.337 6.105 6.042 1.00 0.00 H new ATOM 0 HA ILE A 35 6.736 3.854 7.340 1.00 0.00 H new ATOM 0 HB ILE A 35 4.405 5.126 8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.282 5.791 8.954 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.873 6.833 8.934 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.069 3.778 10.611 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.613 2.819 9.183 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.329 3.013 9.614 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.952 6.859 11.119 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.322 6.154 11.242 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.753 5.096 11.262 1.00 0.00 H new ATOM 568 N ILE A 36 5.367 2.383 6.086 1.00 0.00 N ATOM 569 CA ILE A 36 4.686 1.362 5.277 1.00 0.00 C ATOM 570 C ILE A 36 4.062 0.269 6.166 1.00 0.00 C ATOM 571 O ILE A 36 4.756 -0.509 6.834 1.00 0.00 O ATOM 572 CB ILE A 36 5.667 0.778 4.194 1.00 0.00 C ATOM 573 CG1 ILE A 36 6.475 1.910 3.516 1.00 0.00 C ATOM 574 CG2 ILE A 36 4.920 -0.098 3.157 1.00 0.00 C ATOM 575 CD1 ILE A 36 7.921 1.642 3.179 1.00 0.00 C ATOM 0 H ILE A 36 6.308 2.090 6.348 1.00 0.00 H new ATOM 0 HA ILE A 36 3.859 1.830 4.744 1.00 0.00 H new ATOM 0 HB ILE A 36 6.376 0.125 4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.961 2.181 2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.440 2.783 4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.631 -0.483 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.436 -0.931 3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.167 0.503 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.355 2.525 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.470 1.409 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.984 0.798 2.492 1.00 0.00 H new ATOM 587 N GLU A 37 2.731 0.212 6.179 1.00 0.00 N ATOM 588 CA GLU A 37 1.880 -0.603 7.053 1.00 0.00 C ATOM 589 C GLU A 37 0.682 -1.197 6.301 1.00 0.00 C ATOM 590 O GLU A 37 -0.085 -0.497 5.644 1.00 0.00 O ATOM 591 CB GLU A 37 1.476 0.196 8.292 1.00 0.00 C ATOM 592 CG GLU A 37 2.705 0.525 9.187 1.00 0.00 C ATOM 593 CD GLU A 37 2.826 -0.348 10.417 1.00 0.00 C ATOM 594 OE1 GLU A 37 2.331 -1.505 10.347 1.00 0.00 O ATOM 595 OE2 GLU A 37 3.495 0.078 11.424 1.00 0.00 O ATOM 0 H GLU A 37 2.176 0.774 5.533 1.00 0.00 H new ATOM 0 HA GLU A 37 2.458 -1.462 7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.990 1.122 7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.746 -0.371 8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.612 0.423 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.645 1.568 9.499 1.00 0.00 H new ATOM 602 N ALA A 38 0.580 -2.555 6.330 1.00 0.00 N ATOM 603 CA ALA A 38 -0.172 -3.365 5.339 1.00 0.00 C ATOM 604 C ALA A 38 -1.119 -4.335 6.069 1.00 0.00 C ATOM 605 O ALA A 38 -0.743 -5.061 7.010 1.00 0.00 O ATOM 606 CB ALA A 38 0.865 -4.224 4.537 1.00 0.00 C ATOM 0 H ALA A 38 1.024 -3.121 7.053 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.746 -2.709 4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.341 -4.832 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.569 -3.564 4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.407 -4.874 5.223 1.00 0.00 H new ATOM 612 N PHE A 39 -2.393 -4.325 5.665 1.00 0.00 N ATOM 613 CA PHE A 39 -3.613 -4.651 6.408 1.00 0.00 C ATOM 614 C PHE A 39 -4.637 -5.281 5.418 1.00 0.00 C ATOM 615 O PHE A 39 -4.339 -5.534 4.285 1.00 0.00 O ATOM 616 CB PHE A 39 -4.218 -3.444 7.091 1.00 0.00 C ATOM 617 CG PHE A 39 -3.369 -2.409 7.803 1.00 0.00 C ATOM 618 CD1 PHE A 39 -2.075 -2.720 8.233 1.00 0.00 C ATOM 619 CD2 PHE A 39 -3.872 -1.105 8.073 1.00 0.00 C ATOM 620 CE1 PHE A 39 -1.206 -1.724 8.656 1.00 0.00 C ATOM 621 CE2 PHE A 39 -3.020 -0.070 8.435 1.00 0.00 C ATOM 622 CZ PHE A 39 -1.712 -0.427 8.877 1.00 0.00 C ATOM 0 H PHE A 39 -2.618 -4.060 4.706 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.356 -5.355 7.199 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.793 -2.911 6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.930 -3.823 7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.748 -3.749 8.236 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.933 -0.918 7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.159 -1.939 8.813 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.335 0.962 8.384 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.102 0.304 9.387 1.00 0.00 H new ATOM 632 N PRO A 40 -5.812 -5.695 5.961 1.00 0.00 N ATOM 633 CA PRO A 40 -6.987 -6.195 5.259 1.00 0.00 C ATOM 634 C PRO A 40 -8.260 -5.300 5.106 1.00 0.00 C ATOM 635 O PRO A 40 -9.357 -5.682 5.500 1.00 0.00 O ATOM 636 CB PRO A 40 -7.345 -7.490 6.037 1.00 0.00 C ATOM 637 CG PRO A 40 -6.945 -7.192 7.454 1.00 0.00 C ATOM 638 CD PRO A 40 -5.987 -5.978 7.414 1.00 0.00 C ATOM 0 HA PRO A 40 -6.705 -6.291 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.408 -7.718 5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.806 -8.352 5.644 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.822 -6.970 8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.454 -8.055 7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.409 -5.121 7.938 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.035 -6.207 7.892 1.00 0.00 H new ATOM 646 N GLU A 41 -8.081 -4.266 4.281 1.00 0.00 N ATOM 647 CA GLU A 41 -8.996 -3.177 4.017 1.00 0.00 C ATOM 648 C GLU A 41 -9.734 -2.585 5.202 1.00 0.00 C ATOM 649 O GLU A 41 -9.983 -1.337 5.230 1.00 0.00 O ATOM 650 CB GLU A 41 -10.011 -3.534 2.889 1.00 0.00 C ATOM 651 CG GLU A 41 -10.575 -4.923 3.105 1.00 0.00 C ATOM 652 CD GLU A 41 -11.705 -5.043 4.133 1.00 0.00 C ATOM 653 OE1 GLU A 41 -12.468 -4.060 4.321 1.00 0.00 O ATOM 654 OE2 GLU A 41 -11.704 -6.113 4.815 1.00 0.00 O ATOM 0 H GLU A 41 -7.220 -4.170 3.742 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.319 -2.385 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.820 -2.804 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.518 -3.482 1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.941 -5.296 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.761 -5.579 3.413 1.00 0.00 H new ATOM 661 N THR A 42 -10.311 -3.426 6.093 1.00 0.00 N ATOM 662 CA THR A 42 -10.855 -3.107 7.448 1.00 0.00 C ATOM 663 C THR A 42 -10.406 -1.688 7.879 1.00 0.00 C ATOM 664 O THR A 42 -11.193 -0.819 8.199 1.00 0.00 O ATOM 665 CB THR A 42 -10.429 -4.081 8.537 1.00 0.00 C ATOM 666 OG1 THR A 42 -9.526 -3.569 9.489 1.00 0.00 O ATOM 667 CG2 THR A 42 -10.113 -5.471 7.956 1.00 0.00 C ATOM 0 H THR A 42 -10.419 -4.417 5.875 1.00 0.00 H new ATOM 0 HA THR A 42 -11.938 -3.179 7.347 1.00 0.00 H new ATOM 0 HB THR A 42 -11.298 -4.235 9.177 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.314 -4.265 10.146 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.812 -6.142 8.761 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.000 -5.870 7.464 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.303 -5.387 7.232 1.00 0.00 H new ATOM 675 N LEU A 43 -9.036 -1.538 7.880 1.00 0.00 N ATOM 676 CA LEU A 43 -8.279 -0.570 8.596 1.00 0.00 C ATOM 677 C LEU A 43 -7.870 0.594 7.606 1.00 0.00 C ATOM 678 O LEU A 43 -7.027 1.392 7.997 1.00 0.00 O ATOM 679 CB LEU A 43 -6.942 -1.219 9.101 1.00 0.00 C ATOM 680 CG LEU A 43 -6.724 -1.570 10.550 1.00 0.00 C ATOM 681 CD1 LEU A 43 -7.974 -1.539 11.445 1.00 0.00 C ATOM 682 CD2 LEU A 43 -5.667 -2.591 10.866 1.00 0.00 C ATOM 0 H LEU A 43 -8.438 -2.154 7.329 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.876 -0.200 9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.803 -2.137 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.137 -0.542 8.817 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.195 -0.684 10.902 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.698 -1.808 12.465 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.402 -0.537 11.437 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.709 -2.250 11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.620 -2.744 11.944 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.913 -3.533 10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.700 -2.237 10.507 1.00 0.00 H new ATOM 694 N ALA A 44 -8.431 0.545 6.397 1.00 0.00 N ATOM 695 CA ALA A 44 -8.075 1.616 5.386 1.00 0.00 C ATOM 696 C ALA A 44 -8.853 2.918 5.852 1.00 0.00 C ATOM 697 O ALA A 44 -8.255 3.964 5.978 1.00 0.00 O ATOM 698 CB ALA A 44 -8.541 1.226 4.018 1.00 0.00 C ATOM 0 H ALA A 44 -9.094 -0.163 6.080 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.997 1.769 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.276 2.008 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.064 0.291 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.623 1.094 4.026 1.00 0.00 H new ATOM 704 N GLY A 45 -10.155 2.713 6.107 1.00 0.00 N ATOM 705 CA GLY A 45 -11.030 3.699 6.781 1.00 0.00 C ATOM 706 C GLY A 45 -10.183 4.623 7.695 1.00 0.00 C ATOM 707 O GLY A 45 -9.998 5.790 7.427 1.00 0.00 O ATOM 0 H GLY A 45 -10.639 1.852 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.560 4.295 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.786 3.182 7.373 1.00 0.00 H new ATOM 711 N GLU A 46 -9.691 3.999 8.788 1.00 0.00 N ATOM 712 CA GLU A 46 -8.942 4.631 9.866 1.00 0.00 C ATOM 713 C GLU A 46 -7.515 5.016 9.420 1.00 0.00 C ATOM 714 O GLU A 46 -7.011 6.100 9.776 1.00 0.00 O ATOM 715 CB GLU A 46 -8.891 3.709 11.105 1.00 0.00 C ATOM 716 CG GLU A 46 -9.687 4.305 12.287 1.00 0.00 C ATOM 717 CD GLU A 46 -9.760 3.338 13.479 1.00 0.00 C ATOM 718 OE1 GLU A 46 -9.528 2.118 13.247 1.00 0.00 O ATOM 719 OE2 GLU A 46 -10.003 3.819 14.628 1.00 0.00 O ATOM 0 H GLU A 46 -9.817 2.998 8.937 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.464 5.550 10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.297 2.730 10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.854 3.556 11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.220 5.237 12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.696 4.550 11.957 1.00 0.00 H new ATOM 726 N LYS A 47 -6.882 4.123 8.669 1.00 0.00 N ATOM 727 CA LYS A 47 -5.414 4.151 8.392 1.00 0.00 C ATOM 728 C LYS A 47 -5.176 4.789 6.974 1.00 0.00 C ATOM 729 O LYS A 47 -4.551 5.769 6.809 1.00 0.00 O ATOM 730 CB LYS A 47 -4.845 2.753 8.430 1.00 0.00 C ATOM 731 CG LYS A 47 -4.767 2.109 9.791 1.00 0.00 C ATOM 732 CD LYS A 47 -5.060 2.975 11.031 1.00 0.00 C ATOM 733 CE LYS A 47 -4.072 2.519 12.148 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.169 1.059 12.337 1.00 0.00 N ATOM 0 H LYS A 47 -7.361 3.342 8.221 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.912 4.746 9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.450 2.118 7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.842 2.778 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.462 1.270 9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.765 1.695 9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.924 4.032 10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.093 2.849 11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.052 2.793 11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.303 3.032 13.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.933 0.820 13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.138 0.745 12.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.504 0.581 11.696 1.00 0.00 H new ATOM 748 N GLY A 48 -5.742 4.006 5.986 1.00 0.00 N ATOM 749 CA GLY A 48 -6.089 4.548 4.666 1.00 0.00 C ATOM 750 C GLY A 48 -6.403 6.053 4.661 1.00 0.00 C ATOM 751 O GLY A 48 -5.932 6.760 3.748 1.00 0.00 O ATOM 0 H GLY A 48 -5.955 3.015 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.263 4.359 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.953 4.007 4.280 1.00 0.00 H new ATOM 755 N GLN A 49 -7.221 6.511 5.599 1.00 0.00 N ATOM 756 CA GLN A 49 -7.517 7.930 5.926 1.00 0.00 C ATOM 757 C GLN A 49 -6.365 8.642 6.633 1.00 0.00 C ATOM 758 O GLN A 49 -6.116 9.843 6.459 1.00 0.00 O ATOM 759 CB GLN A 49 -8.805 7.993 6.721 1.00 0.00 C ATOM 760 CG GLN A 49 -8.939 9.228 7.634 1.00 0.00 C ATOM 761 CD GLN A 49 -10.359 9.430 8.157 1.00 0.00 C ATOM 762 OE1 GLN A 49 -11.261 9.966 7.492 1.00 0.00 O ATOM 763 NE2 GLN A 49 -10.670 8.979 9.394 1.00 0.00 N ATOM 0 H GLN A 49 -7.738 5.871 6.201 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.643 8.475 4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.645 7.978 6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.882 7.095 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.258 9.125 8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.631 10.116 7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.955 8.533 9.969 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.619 9.085 9.752 1.00 0.00 H new ATOM 772 N ASN A 50 -5.653 7.901 7.533 1.00 0.00 N ATOM 773 CA ASN A 50 -4.431 8.369 8.228 1.00 0.00 C ATOM 774 C ASN A 50 -3.187 8.185 7.409 1.00 0.00 C ATOM 775 O ASN A 50 -2.034 8.212 7.916 1.00 0.00 O ATOM 776 CB ASN A 50 -4.363 7.787 9.638 1.00 0.00 C ATOM 777 CG ASN A 50 -5.390 8.363 10.623 1.00 0.00 C ATOM 778 OD1 ASN A 50 -6.602 8.435 10.409 1.00 0.00 O ATOM 779 ND2 ASN A 50 -4.885 8.821 11.810 1.00 0.00 N ATOM 0 H ASN A 50 -5.921 6.952 7.794 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.495 9.450 8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.504 6.708 9.578 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.363 7.956 10.038 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.510 9.219 12.511 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.883 8.765 11.994 1.00 0.00 H new ATOM 786 N ALA A 51 -3.355 7.892 6.089 1.00 0.00 N ATOM 787 CA ALA A 51 -2.264 7.541 5.171 1.00 0.00 C ATOM 788 C ALA A 51 -1.806 8.758 4.380 1.00 0.00 C ATOM 789 O ALA A 51 -2.396 9.850 4.420 1.00 0.00 O ATOM 790 CB ALA A 51 -2.705 6.406 4.225 1.00 0.00 C ATOM 0 H ALA A 51 -4.270 7.897 5.639 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.418 7.189 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.886 6.156 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.973 5.527 4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.568 6.731 3.644 1.00 0.00 H new ATOM 796 N ASP A 52 -0.730 8.581 3.607 1.00 0.00 N ATOM 797 CA ASP A 52 -0.298 9.317 2.418 1.00 0.00 C ATOM 798 C ASP A 52 -0.635 8.602 1.105 1.00 0.00 C ATOM 799 O ASP A 52 -0.761 9.223 0.060 1.00 0.00 O ATOM 800 CB ASP A 52 1.240 9.518 2.501 1.00 0.00 C ATOM 801 CG ASP A 52 1.641 10.714 3.407 1.00 0.00 C ATOM 802 OD1 ASP A 52 1.646 11.876 2.893 1.00 0.00 O ATOM 803 OD2 ASP A 52 1.994 10.426 4.584 1.00 0.00 O ATOM 0 H ASP A 52 -0.069 7.836 3.825 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.835 10.266 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.701 8.607 2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.636 9.679 1.498 1.00 0.00 H new ATOM 808 N VAL A 53 -0.601 7.243 1.173 1.00 0.00 N ATOM 809 CA VAL A 53 -1.010 6.344 0.082 1.00 0.00 C ATOM 810 C VAL A 53 -1.683 5.082 0.652 1.00 0.00 C ATOM 811 O VAL A 53 -1.260 4.557 1.700 1.00 0.00 O ATOM 812 CB VAL A 53 0.131 6.084 -0.890 1.00 0.00 C ATOM 813 CG1 VAL A 53 -0.088 4.985 -1.950 1.00 0.00 C ATOM 814 CG2 VAL A 53 0.767 7.336 -1.493 1.00 0.00 C ATOM 0 H VAL A 53 -0.283 6.744 2.004 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.771 6.833 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 53 0.865 5.656 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.800 4.902 -2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.272 4.032 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.947 5.243 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.569 7.046 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.012 7.899 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.174 7.958 -0.695 1.00 0.00 H new ATOM 824 N VAL A 54 -2.797 4.678 0.033 1.00 0.00 N ATOM 825 CA VAL A 54 -3.475 3.356 0.257 1.00 0.00 C ATOM 826 C VAL A 54 -3.052 2.414 -0.891 1.00 0.00 C ATOM 827 O VAL A 54 -2.779 2.832 -2.019 1.00 0.00 O ATOM 828 CB VAL A 54 -5.018 3.632 0.253 1.00 0.00 C ATOM 829 CG1 VAL A 54 -5.915 2.429 0.081 1.00 0.00 C ATOM 830 CG2 VAL A 54 -5.436 4.523 1.462 1.00 0.00 C ATOM 0 H VAL A 54 -3.278 5.258 -0.655 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.202 2.886 1.201 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.188 4.188 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.957 2.747 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.696 1.945 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.740 1.725 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.512 4.697 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.176 4.019 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.913 5.478 1.408 1.00 0.00 H new ATOM 840 N LEU A 55 -2.887 1.102 -0.577 1.00 0.00 N ATOM 841 CA LEU A 55 -2.932 -0.032 -1.492 1.00 0.00 C ATOM 842 C LEU A 55 -3.915 -1.110 -1.020 1.00 0.00 C ATOM 843 O LEU A 55 -4.157 -1.276 0.133 1.00 0.00 O ATOM 844 CB LEU A 55 -1.502 -0.636 -1.530 1.00 0.00 C ATOM 845 CG LEU A 55 -0.302 0.253 -1.779 1.00 0.00 C ATOM 846 CD1 LEU A 55 0.994 -0.573 -2.244 1.00 0.00 C ATOM 847 CD2 LEU A 55 -0.539 1.446 -2.707 1.00 0.00 C ATOM 0 H LEU A 55 -2.709 0.808 0.383 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.266 0.306 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.339 -1.138 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.498 -1.407 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.114 0.685 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.824 0.114 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.265 -1.291 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.774 -1.104 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.386 2.013 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.861 1.088 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.311 2.088 -2.284 1.00 0.00 H new ATOM 859 N LEU A 56 -4.534 -1.844 -2.016 1.00 0.00 N ATOM 860 CA LEU A 56 -5.082 -3.181 -1.870 1.00 0.00 C ATOM 861 C LEU A 56 -4.171 -4.172 -2.675 1.00 0.00 C ATOM 862 O LEU A 56 -3.401 -3.722 -3.489 1.00 0.00 O ATOM 863 CB LEU A 56 -6.459 -3.152 -2.586 1.00 0.00 C ATOM 864 CG LEU A 56 -7.634 -2.450 -1.853 1.00 0.00 C ATOM 865 CD1 LEU A 56 -8.886 -2.222 -2.725 1.00 0.00 C ATOM 866 CD2 LEU A 56 -7.960 -3.140 -0.498 1.00 0.00 C ATOM 0 H LEU A 56 -4.651 -1.477 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.151 -3.480 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.326 -2.664 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.755 -4.182 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.278 -1.444 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.656 -1.727 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.626 -1.596 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.262 -3.182 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.787 -2.620 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.238 -4.179 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.083 -3.105 0.148 1.00 0.00 H new ATOM 878 N GLY A 57 -4.300 -5.475 -2.346 1.00 0.00 N ATOM 879 CA GLY A 57 -3.761 -6.569 -3.191 1.00 0.00 C ATOM 880 C GLY A 57 -4.497 -6.645 -4.539 1.00 0.00 C ATOM 881 O GLY A 57 -5.497 -5.998 -4.783 1.00 0.00 O ATOM 0 H GLY A 57 -4.772 -5.798 -1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.697 -6.408 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.859 -7.519 -2.666 1.00 0.00 H new ATOM 885 N PRO A 58 -3.909 -7.513 -5.425 1.00 0.00 N ATOM 886 CA PRO A 58 -4.457 -7.918 -6.718 1.00 0.00 C ATOM 887 C PRO A 58 -5.451 -9.099 -6.778 1.00 0.00 C ATOM 888 O PRO A 58 -5.932 -9.509 -7.797 1.00 0.00 O ATOM 889 CB PRO A 58 -3.285 -8.073 -7.658 1.00 0.00 C ATOM 890 CG PRO A 58 -2.157 -8.570 -6.703 1.00 0.00 C ATOM 891 CD PRO A 58 -2.516 -7.973 -5.340 1.00 0.00 C ATOM 0 HA PRO A 58 -5.140 -7.124 -7.019 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.492 -8.791 -8.451 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.024 -7.131 -8.141 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.123 -9.659 -6.663 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.176 -8.232 -7.038 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.403 -8.717 -4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.851 -7.145 -5.095 1.00 0.00 H new ATOM 899 N GLN A 59 -5.800 -9.519 -5.499 1.00 0.00 N ATOM 900 CA GLN A 59 -7.034 -10.213 -5.190 1.00 0.00 C ATOM 901 C GLN A 59 -8.098 -9.261 -4.561 1.00 0.00 C ATOM 902 O GLN A 59 -9.290 -9.382 -4.833 1.00 0.00 O ATOM 903 CB GLN A 59 -6.751 -11.356 -4.234 1.00 0.00 C ATOM 904 CG GLN A 59 -5.339 -11.449 -3.655 1.00 0.00 C ATOM 905 CD GLN A 59 -5.212 -12.434 -2.480 1.00 0.00 C ATOM 906 OE1 GLN A 59 -5.966 -13.399 -2.275 1.00 0.00 O ATOM 907 NE2 GLN A 59 -4.199 -12.221 -1.594 1.00 0.00 N ATOM 0 H GLN A 59 -5.206 -9.366 -4.684 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.440 -10.596 -6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.453 -11.283 -3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.966 -12.291 -4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.652 -11.751 -4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.027 -10.459 -3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.559 -11.438 -1.729 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.080 -12.844 -0.795 1.00 0.00 H new ATOM 916 N ILE A 60 -7.626 -8.341 -3.700 1.00 0.00 N ATOM 917 CA ILE A 60 -8.456 -7.550 -2.741 1.00 0.00 C ATOM 918 C ILE A 60 -8.671 -6.144 -3.329 1.00 0.00 C ATOM 919 O ILE A 60 -9.098 -5.210 -2.664 1.00 0.00 O ATOM 920 CB ILE A 60 -7.916 -7.620 -1.326 1.00 0.00 C ATOM 921 CG1 ILE A 60 -8.016 -6.362 -0.490 1.00 0.00 C ATOM 922 CG2 ILE A 60 -6.519 -8.342 -1.236 1.00 0.00 C ATOM 923 CD1 ILE A 60 -8.926 -6.387 0.747 1.00 0.00 C ATOM 0 H ILE A 60 -6.634 -8.113 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 60 -9.449 -7.985 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.635 -8.268 -0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.011 -6.100 -0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.358 -5.556 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.185 -8.361 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.613 -9.363 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.791 -7.803 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.894 -5.416 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.949 -6.605 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.581 -7.157 1.437 1.00 0.00 H new ATOM 935 N ALA A 61 -8.365 -6.053 -4.646 1.00 0.00 N ATOM 936 CA ALA A 61 -8.483 -4.816 -5.438 1.00 0.00 C ATOM 937 C ALA A 61 -9.975 -4.379 -5.546 1.00 0.00 C ATOM 938 O ALA A 61 -10.302 -3.197 -5.578 1.00 0.00 O ATOM 939 CB ALA A 61 -7.955 -5.035 -6.863 1.00 0.00 C ATOM 0 H ALA A 61 -8.026 -6.847 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.898 -4.047 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.050 -4.111 -7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.906 -5.329 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.533 -5.821 -7.348 1.00 0.00 H new ATOM 945 N TYR A 62 -10.850 -5.403 -5.640 1.00 0.00 N ATOM 946 CA TYR A 62 -12.263 -5.334 -5.953 1.00 0.00 C ATOM 947 C TYR A 62 -13.013 -4.278 -5.123 1.00 0.00 C ATOM 948 O TYR A 62 -14.096 -3.764 -5.524 1.00 0.00 O ATOM 949 CB TYR A 62 -12.908 -6.765 -5.678 1.00 0.00 C ATOM 950 CG TYR A 62 -13.073 -7.055 -4.180 1.00 0.00 C ATOM 951 CD1 TYR A 62 -12.058 -6.695 -3.276 1.00 0.00 C ATOM 952 CD2 TYR A 62 -14.243 -7.689 -3.754 1.00 0.00 C ATOM 953 CE1 TYR A 62 -12.147 -7.167 -1.969 1.00 0.00 C ATOM 954 CE2 TYR A 62 -14.343 -8.121 -2.417 1.00 0.00 C ATOM 955 CZ TYR A 62 -13.299 -7.800 -1.540 1.00 0.00 C ATOM 956 OH TYR A 62 -13.429 -8.170 -0.221 1.00 0.00 O ATOM 0 H TYR A 62 -10.548 -6.365 -5.484 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.356 -5.042 -6.999 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -13.881 -6.821 -6.165 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.281 -7.535 -6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.233 -6.071 -3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.061 -7.846 -4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -11.317 -7.039 -1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -15.200 -8.684 -2.078 1.00 0.00 H new ATOM 0 HH TYR A 62 -14.298 -8.602 -0.087 1.00 0.00 H new ATOM 966 N MET A 63 -12.429 -3.968 -3.961 1.00 0.00 N ATOM 967 CA MET A 63 -13.060 -3.118 -2.879 1.00 0.00 C ATOM 968 C MET A 63 -12.979 -1.647 -3.252 1.00 0.00 C ATOM 969 O MET A 63 -13.515 -0.743 -2.596 1.00 0.00 O ATOM 970 CB MET A 63 -12.309 -3.402 -1.565 1.00 0.00 C ATOM 971 CG MET A 63 -12.932 -4.559 -0.766 1.00 0.00 C ATOM 972 SD MET A 63 -14.149 -4.048 0.507 1.00 0.00 S ATOM 973 CE MET A 63 -13.132 -2.884 1.441 1.00 0.00 C ATOM 0 H MET A 63 -11.493 -4.292 -3.717 1.00 0.00 H new ATOM 0 HA MET A 63 -14.116 -3.363 -2.761 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.269 -3.639 -1.789 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.306 -2.502 -0.951 1.00 0.00 H new ATOM 0 HG2 MET A 63 -13.420 -5.241 -1.462 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.132 -5.118 -0.280 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.391 -2.941 2.498 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.079 -3.135 1.312 1.00 0.00 H new ATOM 0 HE3 MET A 63 -13.311 -1.872 1.078 1.00 0.00 H new ATOM 983 N LEU A 64 -12.236 -1.357 -4.365 1.00 0.00 N ATOM 984 CA LEU A 64 -11.764 -0.025 -4.778 1.00 0.00 C ATOM 985 C LEU A 64 -12.916 0.977 -4.733 1.00 0.00 C ATOM 986 O LEU A 64 -12.684 2.151 -4.364 1.00 0.00 O ATOM 987 CB LEU A 64 -11.216 -0.200 -6.204 1.00 0.00 C ATOM 988 CG LEU A 64 -9.818 0.420 -6.519 1.00 0.00 C ATOM 989 CD1 LEU A 64 -9.406 0.363 -7.978 1.00 0.00 C ATOM 990 CD2 LEU A 64 -9.694 1.822 -5.897 1.00 0.00 C ATOM 0 H LEU A 64 -11.945 -2.086 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.992 0.365 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.166 -1.268 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.939 0.230 -6.897 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.083 -0.225 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.422 0.817 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.367 -0.676 -8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.132 0.907 -8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.713 2.237 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.468 2.471 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.813 1.752 -4.816 1.00 0.00 H new ATOM 1002 N PRO A 65 -14.117 0.588 -5.171 1.00 0.00 N ATOM 1003 CA PRO A 65 -15.382 1.335 -5.097 1.00 0.00 C ATOM 1004 C PRO A 65 -15.837 1.768 -3.640 1.00 0.00 C ATOM 1005 O PRO A 65 -16.174 2.876 -3.368 1.00 0.00 O ATOM 1006 CB PRO A 65 -16.432 0.461 -5.757 1.00 0.00 C ATOM 1007 CG PRO A 65 -15.617 -0.274 -6.830 1.00 0.00 C ATOM 1008 CD PRO A 65 -14.320 -0.650 -6.031 1.00 0.00 C ATOM 0 HA PRO A 65 -15.242 2.289 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.889 -0.230 -5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.238 1.052 -6.192 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.136 -1.155 -7.208 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.401 0.362 -7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.456 -1.549 -5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.472 -0.834 -6.691 1.00 0.00 H new ATOM 1016 N GLU A 66 -15.572 0.751 -2.782 1.00 0.00 N ATOM 1017 CA GLU A 66 -15.594 0.877 -1.314 1.00 0.00 C ATOM 1018 C GLU A 66 -14.637 1.990 -0.824 1.00 0.00 C ATOM 1019 O GLU A 66 -15.067 2.951 -0.176 1.00 0.00 O ATOM 1020 CB GLU A 66 -15.274 -0.478 -0.672 1.00 0.00 C ATOM 1021 CG GLU A 66 -16.322 -0.880 0.415 1.00 0.00 C ATOM 1022 CD GLU A 66 -17.222 -2.033 -0.018 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -17.767 -1.985 -1.167 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -17.377 -2.969 0.814 1.00 0.00 O ATOM 0 H GLU A 66 -15.335 -0.189 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.596 1.174 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.243 -1.246 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.282 -0.439 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.799 -1.159 1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.940 -0.014 0.653 1.00 0.00 H new ATOM 1031 N ILE A 67 -13.325 1.773 -1.060 1.00 0.00 N ATOM 1032 CA ILE A 67 -12.202 2.632 -0.716 1.00 0.00 C ATOM 1033 C ILE A 67 -12.534 4.127 -0.988 1.00 0.00 C ATOM 1034 O ILE A 67 -12.601 4.938 -0.090 1.00 0.00 O ATOM 1035 CB ILE A 67 -10.853 2.171 -1.271 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -10.622 0.659 -1.110 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -9.646 3.021 -0.779 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -11.110 0.001 0.178 1.00 0.00 C ATOM 0 H ILE A 67 -13.014 0.924 -1.533 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.058 2.535 0.360 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.913 2.356 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.104 0.155 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.552 0.472 -1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.726 2.633 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.783 4.058 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.583 2.968 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.880 -1.064 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.612 0.459 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.187 0.137 0.271 1.00 0.00 H new ATOM 1050 N GLN A 68 -12.767 4.393 -2.309 1.00 0.00 N ATOM 1051 CA GLN A 68 -12.954 5.780 -2.834 1.00 0.00 C ATOM 1052 C GLN A 68 -14.128 6.447 -2.073 1.00 0.00 C ATOM 1053 O GLN A 68 -14.136 7.676 -1.869 1.00 0.00 O ATOM 1054 CB GLN A 68 -13.265 5.679 -4.309 1.00 0.00 C ATOM 1055 CG GLN A 68 -12.056 5.730 -5.274 1.00 0.00 C ATOM 1056 CD GLN A 68 -10.715 5.598 -4.547 1.00 0.00 C ATOM 1057 OE1 GLN A 68 -10.156 4.534 -4.260 1.00 0.00 O ATOM 1058 NE2 GLN A 68 -10.077 6.761 -4.233 1.00 0.00 N ATOM 0 H GLN A 68 -12.829 3.669 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.058 6.384 -2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.800 4.745 -4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.945 6.490 -4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.148 4.929 -6.008 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.075 6.670 -5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.511 7.657 -4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.166 6.735 -3.775 1.00 0.00 H new ATOM 1067 N ARG A 69 -15.135 5.642 -1.702 1.00 0.00 N ATOM 1068 CA ARG A 69 -16.275 6.038 -0.832 1.00 0.00 C ATOM 1069 C ARG A 69 -15.756 6.740 0.449 1.00 0.00 C ATOM 1070 O ARG A 69 -15.699 7.952 0.521 1.00 0.00 O ATOM 1071 CB ARG A 69 -17.122 4.817 -0.471 1.00 0.00 C ATOM 1072 CG ARG A 69 -17.991 4.308 -1.646 1.00 0.00 C ATOM 1073 CD ARG A 69 -19.271 3.645 -1.218 1.00 0.00 C ATOM 1074 NE ARG A 69 -19.851 2.871 -2.352 1.00 0.00 N ATOM 1075 CZ ARG A 69 -20.576 3.403 -3.367 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -20.912 4.713 -3.394 1.00 0.00 N ATOM 1077 NH2 ARG A 69 -20.932 2.634 -4.425 1.00 0.00 N ATOM 0 H ARG A 69 -15.189 4.669 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 69 -16.903 6.740 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -16.465 4.013 -0.138 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -17.770 5.068 0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -18.229 5.148 -2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -17.408 3.601 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -19.082 2.982 -0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -19.983 4.397 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 69 -19.690 1.864 -2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -20.619 5.330 -2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -21.458 5.083 -4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -20.655 1.653 -4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -21.477 3.036 -5.187 1.00 0.00 H new ATOM 1091 N LEU A 70 -15.501 5.893 1.493 1.00 0.00 N ATOM 1092 CA LEU A 70 -15.076 6.282 2.833 1.00 0.00 C ATOM 1093 C LEU A 70 -13.608 6.736 2.851 1.00 0.00 C ATOM 1094 O LEU A 70 -13.020 6.940 3.887 1.00 0.00 O ATOM 1095 CB LEU A 70 -15.212 4.967 3.693 1.00 0.00 C ATOM 1096 CG LEU A 70 -13.931 4.104 3.753 1.00 0.00 C ATOM 1097 CD1 LEU A 70 -14.002 2.848 4.570 1.00 0.00 C ATOM 1098 CD2 LEU A 70 -13.415 3.871 2.272 1.00 0.00 C ATOM 0 H LEU A 70 -15.597 4.882 1.397 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.673 7.114 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.498 5.240 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.023 4.363 3.285 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.197 4.672 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.042 2.334 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.238 3.099 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.779 2.197 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.510 3.263 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.184 3.357 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.195 4.832 1.808 1.00 0.00 H new ATOM 1110 N LEU A 71 -12.977 6.890 1.642 1.00 0.00 N ATOM 1111 CA LEU A 71 -11.720 7.586 1.359 1.00 0.00 C ATOM 1112 C LEU A 71 -11.800 8.258 -0.019 1.00 0.00 C ATOM 1113 O LEU A 71 -11.241 7.736 -0.988 1.00 0.00 O ATOM 1114 CB LEU A 71 -10.636 6.475 1.331 1.00 0.00 C ATOM 1115 CG LEU A 71 -10.395 5.652 2.601 1.00 0.00 C ATOM 1116 CD1 LEU A 71 -9.573 4.353 2.352 1.00 0.00 C ATOM 1117 CD2 LEU A 71 -9.791 6.525 3.735 1.00 0.00 C ATOM 0 H LEU A 71 -13.380 6.495 0.793 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.503 8.357 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.894 5.781 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.691 6.942 1.055 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.375 5.310 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.440 3.820 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.105 3.715 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.597 4.613 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.632 5.911 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.838 6.941 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.478 7.337 3.974 1.00 0.00 H new ATOM 1129 N PRO A 72 -12.489 9.410 -0.109 1.00 0.00 N ATOM 1130 CA PRO A 72 -12.705 10.229 -1.348 1.00 0.00 C ATOM 1131 C PRO A 72 -11.753 11.442 -1.568 1.00 0.00 C ATOM 1132 O PRO A 72 -12.101 12.436 -2.181 1.00 0.00 O ATOM 1133 CB PRO A 72 -14.170 10.682 -1.207 1.00 0.00 C ATOM 1134 CG PRO A 72 -14.256 10.997 0.291 1.00 0.00 C ATOM 1135 CD PRO A 72 -13.367 9.948 0.969 1.00 0.00 C ATOM 0 HA PRO A 72 -12.482 9.629 -2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.389 11.555 -1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.870 9.900 -1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.906 12.007 0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.284 10.934 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.777 10.393 1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.967 9.156 1.418 1.00 0.00 H new ATOM 1143 N ASN A 73 -10.473 11.170 -1.200 1.00 0.00 N ATOM 1144 CA ASN A 73 -9.358 12.118 -1.158 1.00 0.00 C ATOM 1145 C ASN A 73 -8.017 11.455 -1.466 1.00 0.00 C ATOM 1146 O ASN A 73 -7.220 12.000 -2.277 1.00 0.00 O ATOM 1147 CB ASN A 73 -9.329 12.830 0.220 1.00 0.00 C ATOM 1148 CG ASN A 73 -8.661 11.967 1.311 1.00 0.00 C ATOM 1149 OD1 ASN A 73 -7.593 12.263 1.865 1.00 0.00 O ATOM 1150 ND2 ASN A 73 -9.292 10.842 1.671 1.00 0.00 N ATOM 0 H ASN A 73 -10.190 10.233 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.519 12.859 -1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.792 13.774 0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.348 13.071 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.893 10.242 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.172 10.585 1.224 1.00 0.00 H new ATOM 1157 N LYS A 74 -7.682 10.360 -0.772 1.00 0.00 N ATOM 1158 CA LYS A 74 -6.324 9.743 -0.797 1.00 0.00 C ATOM 1159 C LYS A 74 -5.996 9.116 -2.153 1.00 0.00 C ATOM 1160 O LYS A 74 -6.884 8.862 -2.981 1.00 0.00 O ATOM 1161 CB LYS A 74 -6.182 8.684 0.316 1.00 0.00 C ATOM 1162 CG LYS A 74 -6.364 9.336 1.699 1.00 0.00 C ATOM 1163 CD LYS A 74 -5.057 9.641 2.444 1.00 0.00 C ATOM 1164 CE LYS A 74 -5.343 10.474 3.686 1.00 0.00 C ATOM 1165 NZ LYS A 74 -4.929 11.885 3.478 1.00 0.00 N ATOM 0 H LYS A 74 -8.340 9.865 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.611 10.549 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.924 7.898 0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.202 8.212 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.921 10.265 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.974 8.678 2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.565 8.710 2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.372 10.177 1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.407 10.433 3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.811 10.056 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.842 12.361 4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.012 11.909 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.643 12.375 2.902 1.00 0.00 H new ATOM 1179 N PRO A 75 -4.694 8.943 -2.402 1.00 0.00 N ATOM 1180 CA PRO A 75 -4.102 8.089 -3.452 1.00 0.00 C ATOM 1181 C PRO A 75 -3.863 6.586 -3.109 1.00 0.00 C ATOM 1182 O PRO A 75 -2.763 6.108 -2.971 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.843 8.801 -3.898 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.360 9.482 -2.645 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.604 9.763 -1.799 1.00 0.00 C ATOM 0 HA PRO A 75 -4.836 7.982 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.102 8.101 -4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.048 9.520 -4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.658 8.848 -2.104 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.835 10.407 -2.883 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.439 9.490 -0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.857 10.823 -1.814 1.00 0.00 H new ATOM 1193 N VAL A 76 -5.031 5.885 -3.168 1.00 0.00 N ATOM 1194 CA VAL A 76 -5.133 4.428 -3.246 1.00 0.00 C ATOM 1195 C VAL A 76 -4.596 3.889 -4.575 1.00 0.00 C ATOM 1196 O VAL A 76 -4.626 4.547 -5.614 1.00 0.00 O ATOM 1197 CB VAL A 76 -6.559 3.955 -2.871 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -7.697 4.838 -3.436 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -6.773 2.463 -3.280 1.00 0.00 C ATOM 0 H VAL A 76 -5.941 6.345 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.478 3.984 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.619 4.054 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.660 4.434 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.591 5.855 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.643 4.849 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.781 2.152 -3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.640 2.358 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.047 1.836 -2.762 1.00 0.00 H new ATOM 1209 N GLU A 77 -4.039 2.661 -4.550 1.00 0.00 N ATOM 1210 CA GLU A 77 -3.815 1.772 -5.671 1.00 0.00 C ATOM 1211 C GLU A 77 -3.516 0.323 -5.238 1.00 0.00 C ATOM 1212 O GLU A 77 -2.919 0.084 -4.193 1.00 0.00 O ATOM 1213 CB GLU A 77 -2.715 2.290 -6.614 1.00 0.00 C ATOM 1214 CG GLU A 77 -1.363 2.412 -5.874 1.00 0.00 C ATOM 1215 CD GLU A 77 -0.449 1.184 -6.077 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -0.536 0.578 -7.194 1.00 0.00 O ATOM 1217 OE2 GLU A 77 0.291 0.906 -5.113 1.00 0.00 O ATOM 0 H GLU A 77 -3.716 2.250 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.755 1.759 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.610 1.613 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.003 3.262 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.844 3.305 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.549 2.547 -4.809 1.00 0.00 H new ATOM 1224 N VAL A 78 -4.051 -0.655 -6.027 1.00 0.00 N ATOM 1225 CA VAL A 78 -3.769 -2.109 -5.867 1.00 0.00 C ATOM 1226 C VAL A 78 -2.460 -2.465 -6.576 1.00 0.00 C ATOM 1227 O VAL A 78 -1.833 -1.646 -7.274 1.00 0.00 O ATOM 1228 CB VAL A 78 -4.978 -2.920 -6.314 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -6.302 -2.169 -6.458 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -4.726 -3.816 -7.548 1.00 0.00 C ATOM 0 H VAL A 78 -4.692 -0.453 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.614 -2.365 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.110 -3.564 -5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.080 -2.861 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.580 -1.734 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.192 -1.376 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.639 -4.357 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.430 -3.196 -8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.931 -4.528 -7.325 1.00 0.00 H new ATOM 1240 N ILE A 79 -1.957 -3.680 -6.285 1.00 0.00 N ATOM 1241 CA ILE A 79 -0.615 -4.214 -6.600 1.00 0.00 C ATOM 1242 C ILE A 79 -0.658 -5.146 -7.812 1.00 0.00 C ATOM 1243 O ILE A 79 -1.752 -5.539 -8.285 1.00 0.00 O ATOM 1244 CB ILE A 79 0.026 -4.865 -5.321 1.00 0.00 C ATOM 1245 CG1 ILE A 79 -0.283 -4.023 -4.079 1.00 0.00 C ATOM 1246 CG2 ILE A 79 1.506 -5.197 -5.527 1.00 0.00 C ATOM 1247 CD1 ILE A 79 0.420 -4.459 -2.773 1.00 0.00 C ATOM 0 H ILE A 79 -2.520 -4.368 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 79 0.040 -3.393 -6.891 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.438 -5.835 -5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.009 -2.989 -4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.360 -4.040 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.908 -5.645 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.610 -5.899 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.055 -4.284 -5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.127 -3.792 -1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.129 -5.480 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.501 -4.413 -2.909 1.00 0.00 H new ATOM 1259 N ASP A 80 0.520 -5.516 -8.323 1.00 0.00 N ATOM 1260 CA ASP A 80 0.843 -6.683 -9.166 1.00 0.00 C ATOM 1261 C ASP A 80 0.949 -7.955 -8.232 1.00 0.00 C ATOM 1262 O ASP A 80 0.645 -7.890 -7.081 1.00 0.00 O ATOM 1263 CB ASP A 80 2.259 -6.480 -9.790 1.00 0.00 C ATOM 1264 CG ASP A 80 2.180 -5.946 -11.250 1.00 0.00 C ATOM 1265 OD1 ASP A 80 1.206 -5.190 -11.515 1.00 0.00 O ATOM 1266 OD2 ASP A 80 3.028 -6.389 -12.050 1.00 0.00 O ATOM 0 H ASP A 80 1.354 -4.957 -8.143 1.00 0.00 H new ATOM 0 HA ASP A 80 0.080 -6.801 -9.936 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.828 -5.780 -9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.800 -7.426 -9.779 1.00 0.00 H new ATOM 1271 N SER A 81 1.218 -9.071 -8.942 1.00 0.00 N ATOM 1272 CA SER A 81 0.803 -10.435 -8.471 1.00 0.00 C ATOM 1273 C SER A 81 2.058 -11.178 -7.978 1.00 0.00 C ATOM 1274 O SER A 81 2.024 -11.856 -6.933 1.00 0.00 O ATOM 1275 CB SER A 81 0.193 -11.173 -9.674 1.00 0.00 C ATOM 1276 OG SER A 81 -0.418 -12.424 -9.316 1.00 0.00 O ATOM 0 H SER A 81 1.714 -9.069 -9.834 1.00 0.00 H new ATOM 0 HA SER A 81 0.077 -10.378 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.553 -10.533 -10.146 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.972 -11.354 -10.415 1.00 0.00 H new ATOM 0 HG SER A 81 -0.790 -12.848 -10.118 1.00 0.00 H new ATOM 1282 N LEU A 82 3.192 -10.969 -8.695 1.00 0.00 N ATOM 1283 CA LEU A 82 4.537 -11.411 -8.388 1.00 0.00 C ATOM 1284 C LEU A 82 5.493 -10.239 -8.159 1.00 0.00 C ATOM 1285 O LEU A 82 6.705 -10.439 -8.124 1.00 0.00 O ATOM 1286 CB LEU A 82 4.965 -12.287 -9.579 1.00 0.00 C ATOM 1287 CG LEU A 82 4.820 -13.829 -9.410 1.00 0.00 C ATOM 1288 CD1 LEU A 82 6.070 -14.525 -10.141 1.00 0.00 C ATOM 1289 CD2 LEU A 82 4.867 -14.244 -7.918 1.00 0.00 C ATOM 0 H LEU A 82 3.165 -10.443 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 82 4.565 -11.972 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.382 -11.985 -10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.009 -12.067 -9.803 1.00 0.00 H new ATOM 0 HG LEU A 82 3.864 -14.135 -9.834 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.995 -15.608 -10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.067 -14.259 -11.198 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.997 -14.181 -9.683 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.763 -15.326 -7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.819 -13.938 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.052 -13.760 -7.380 1.00 0.00 H new ATOM 1301 N LEU A 83 4.928 -8.999 -8.033 1.00 0.00 N ATOM 1302 CA LEU A 83 5.556 -7.903 -7.230 1.00 0.00 C ATOM 1303 C LEU A 83 5.046 -8.046 -5.777 1.00 0.00 C ATOM 1304 O LEU A 83 5.799 -7.962 -4.845 1.00 0.00 O ATOM 1305 CB LEU A 83 4.963 -6.618 -7.874 1.00 0.00 C ATOM 1306 CG LEU A 83 5.450 -6.203 -9.266 1.00 0.00 C ATOM 1307 CD1 LEU A 83 6.670 -5.258 -9.234 1.00 0.00 C ATOM 1308 CD2 LEU A 83 5.677 -7.416 -10.200 1.00 0.00 C ATOM 0 H LEU A 83 4.046 -8.736 -8.474 1.00 0.00 H new ATOM 0 HA LEU A 83 6.646 -7.905 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.881 -6.743 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.156 -5.788 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 83 4.635 -5.620 -9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.961 -5.005 -10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.411 -4.347 -8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.501 -5.753 -8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.021 -7.066 -11.173 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.428 -8.075 -9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.741 -7.962 -10.321 1.00 0.00 H new ATOM 1320 N TYR A 84 3.701 -8.292 -5.668 1.00 0.00 N ATOM 1321 CA TYR A 84 3.062 -8.891 -4.454 1.00 0.00 C ATOM 1322 C TYR A 84 3.745 -10.204 -4.073 1.00 0.00 C ATOM 1323 O TYR A 84 4.605 -10.280 -3.167 1.00 0.00 O ATOM 1324 CB TYR A 84 1.539 -9.044 -4.700 1.00 0.00 C ATOM 1325 CG TYR A 84 0.713 -9.179 -3.424 1.00 0.00 C ATOM 1326 CD1 TYR A 84 1.040 -8.392 -2.299 1.00 0.00 C ATOM 1327 CD2 TYR A 84 -0.333 -10.091 -3.398 1.00 0.00 C ATOM 1328 CE1 TYR A 84 0.114 -8.358 -1.224 1.00 0.00 C ATOM 1329 CE2 TYR A 84 -1.106 -10.242 -2.237 1.00 0.00 C ATOM 1330 CZ TYR A 84 -0.917 -9.304 -1.183 1.00 0.00 C ATOM 1331 OH TYR A 84 -1.765 -9.323 -0.124 1.00 0.00 O ATOM 0 H TYR A 84 3.037 -8.082 -6.414 1.00 0.00 H new ATOM 0 HA TYR A 84 3.191 -8.228 -3.598 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.184 -8.179 -5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.369 -9.921 -5.325 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.964 -7.834 -2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.552 -10.685 -4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.204 -7.612 -0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.822 -11.045 -2.146 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.675 -8.489 0.383 1.00 0.00 H new ATOM 1341 N GLY A 85 3.323 -11.300 -4.745 1.00 0.00 N ATOM 1342 CA GLY A 85 3.854 -12.663 -4.535 1.00 0.00 C ATOM 1343 C GLY A 85 5.398 -12.597 -4.300 1.00 0.00 C ATOM 1344 O GLY A 85 5.873 -13.102 -3.282 1.00 0.00 O ATOM 0 H GLY A 85 2.594 -11.260 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.365 -13.126 -3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.635 -13.287 -5.402 1.00 0.00 H new ATOM 1348 N LYS A 86 6.071 -12.012 -5.261 1.00 0.00 N ATOM 1349 CA LYS A 86 7.563 -12.181 -5.432 1.00 0.00 C ATOM 1350 C LYS A 86 8.277 -10.963 -4.850 1.00 0.00 C ATOM 1351 O LYS A 86 9.378 -10.551 -5.215 1.00 0.00 O ATOM 1352 CB LYS A 86 7.807 -12.443 -6.897 1.00 0.00 C ATOM 1353 CG LYS A 86 9.002 -11.811 -7.521 1.00 0.00 C ATOM 1354 CD LYS A 86 10.244 -12.621 -7.766 1.00 0.00 C ATOM 1355 CE LYS A 86 9.963 -14.117 -7.551 1.00 0.00 C ATOM 1356 NZ LYS A 86 11.226 -14.871 -7.438 1.00 0.00 N ATOM 0 H LYS A 86 5.641 -11.405 -5.959 1.00 0.00 H new ATOM 0 HA LYS A 86 7.975 -13.028 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.886 -13.521 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.926 -12.114 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.687 -11.403 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.286 -10.966 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.599 -12.454 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.037 -12.294 -7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.369 -14.255 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.374 -14.505 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.017 -15.879 -7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.779 -14.754 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.774 -14.512 -6.630 1.00 0.00 H new ATOM 1370 N VAL A 87 7.568 -10.269 -3.889 1.00 0.00 N ATOM 1371 CA VAL A 87 8.168 -9.517 -2.810 1.00 0.00 C ATOM 1372 C VAL A 87 9.073 -8.424 -3.396 1.00 0.00 C ATOM 1373 O VAL A 87 10.284 -8.356 -3.180 1.00 0.00 O ATOM 1374 CB VAL A 87 8.795 -10.399 -1.733 1.00 0.00 C ATOM 1375 CG1 VAL A 87 7.986 -10.443 -0.394 1.00 0.00 C ATOM 1376 CG2 VAL A 87 9.105 -11.849 -2.186 1.00 0.00 C ATOM 0 H VAL A 87 6.548 -10.240 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 87 7.389 -9.003 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 87 9.744 -9.896 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.497 -11.090 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.911 -9.437 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.986 -10.832 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.548 -12.402 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.182 -12.338 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.804 -11.827 -3.022 1.00 0.00 H new ATOM 1386 N ASP A 88 8.471 -7.541 -4.222 1.00 0.00 N ATOM 1387 CA ASP A 88 8.800 -6.129 -4.513 1.00 0.00 C ATOM 1388 C ASP A 88 9.739 -5.526 -3.458 1.00 0.00 C ATOM 1389 O ASP A 88 10.853 -6.024 -3.274 1.00 0.00 O ATOM 1390 CB ASP A 88 7.460 -5.331 -4.561 1.00 0.00 C ATOM 1391 CG ASP A 88 6.531 -5.702 -3.381 1.00 0.00 C ATOM 1392 OD1 ASP A 88 7.064 -5.939 -2.272 1.00 0.00 O ATOM 1393 OD2 ASP A 88 5.285 -5.641 -3.607 1.00 0.00 O ATOM 0 H ASP A 88 7.654 -7.832 -4.759 1.00 0.00 H new ATOM 0 HA ASP A 88 9.325 -6.072 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.672 -4.262 -4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.950 -5.532 -5.503 1.00 0.00 H new ATOM 1398 N GLY A 89 9.358 -4.327 -2.922 1.00 0.00 N ATOM 1399 CA GLY A 89 10.331 -3.437 -2.192 1.00 0.00 C ATOM 1400 C GLY A 89 11.143 -2.632 -3.231 1.00 0.00 C ATOM 1401 O GLY A 89 11.838 -3.239 -4.054 1.00 0.00 O ATOM 0 H GLY A 89 8.409 -3.956 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.797 -2.761 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.999 -4.036 -1.572 1.00 0.00 H new ATOM 1405 N LEU A 90 10.993 -1.297 -3.204 1.00 0.00 N ATOM 1406 CA LEU A 90 11.449 -0.327 -4.181 1.00 0.00 C ATOM 1407 C LEU A 90 10.367 -0.243 -5.321 1.00 0.00 C ATOM 1408 O LEU A 90 9.993 0.813 -5.727 1.00 0.00 O ATOM 1409 CB LEU A 90 12.770 -0.751 -4.784 1.00 0.00 C ATOM 1410 CG LEU A 90 13.829 -1.551 -4.070 1.00 0.00 C ATOM 1411 CD1 LEU A 90 14.301 -2.833 -4.765 1.00 0.00 C ATOM 1412 CD2 LEU A 90 15.047 -0.666 -3.655 1.00 0.00 C ATOM 0 H LEU A 90 10.508 -0.844 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 90 11.588 0.639 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.521 -1.317 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.258 0.167 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 90 13.310 -1.903 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 90 15.062 -3.319 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.455 -3.508 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.722 -2.585 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.787 -1.282 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.496 -0.224 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.710 0.126 -2.987 1.00 0.00 H new ATOM 1424 N GLY A 91 9.952 -1.449 -5.818 1.00 0.00 N ATOM 1425 CA GLY A 91 8.668 -1.634 -6.526 1.00 0.00 C ATOM 1426 C GLY A 91 7.532 -0.783 -5.939 1.00 0.00 C ATOM 1427 O GLY A 91 7.057 0.159 -6.624 1.00 0.00 O ATOM 0 H GLY A 91 10.500 -2.305 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 91 8.799 -1.380 -7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.385 -2.686 -6.485 1.00 0.00 H new ATOM 1431 N VAL A 92 7.103 -1.103 -4.700 1.00 0.00 N ATOM 1432 CA VAL A 92 5.866 -0.648 -4.077 1.00 0.00 C ATOM 1433 C VAL A 92 6.052 0.672 -3.330 1.00 0.00 C ATOM 1434 O VAL A 92 5.084 1.386 -3.002 1.00 0.00 O ATOM 1435 CB VAL A 92 5.245 -1.800 -3.190 1.00 0.00 C ATOM 1436 CG1 VAL A 92 3.798 -1.422 -2.723 1.00 0.00 C ATOM 1437 CG2 VAL A 92 5.119 -3.088 -4.101 1.00 0.00 C ATOM 0 H VAL A 92 7.643 -1.715 -4.088 1.00 0.00 H new ATOM 0 HA VAL A 92 5.140 -0.426 -4.859 1.00 0.00 H new ATOM 0 HB VAL A 92 5.879 -1.962 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.390 -2.229 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.833 -0.505 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.163 -1.269 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.693 -3.905 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.471 -2.871 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.106 -3.376 -4.462 1.00 0.00 H new ATOM 1447 N LEU A 93 7.332 1.017 -2.994 1.00 0.00 N ATOM 1448 CA LEU A 93 7.830 2.379 -2.833 1.00 0.00 C ATOM 1449 C LEU A 93 7.777 3.166 -4.142 1.00 0.00 C ATOM 1450 O LEU A 93 7.198 4.268 -4.171 1.00 0.00 O ATOM 1451 CB LEU A 93 9.287 2.258 -2.330 1.00 0.00 C ATOM 1452 CG LEU A 93 9.890 3.422 -1.512 1.00 0.00 C ATOM 1453 CD1 LEU A 93 8.885 4.399 -0.905 1.00 0.00 C ATOM 1454 CD2 LEU A 93 10.972 2.939 -0.524 1.00 0.00 C ATOM 0 H LEU A 93 8.053 0.315 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 93 7.206 2.926 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.352 1.357 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.925 2.101 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 93 10.395 4.043 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.418 5.174 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.298 4.858 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.221 3.863 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.367 3.792 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.535 2.225 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.780 2.458 -1.076 1.00 0.00 H new ATOM 1466 N LYS A 94 8.393 2.643 -5.220 1.00 0.00 N ATOM 1467 CA LYS A 94 8.225 3.178 -6.587 1.00 0.00 C ATOM 1468 C LYS A 94 6.772 3.468 -6.963 1.00 0.00 C ATOM 1469 O LYS A 94 6.383 4.614 -7.240 1.00 0.00 O ATOM 1470 CB LYS A 94 8.878 2.228 -7.617 1.00 0.00 C ATOM 1471 CG LYS A 94 10.368 2.637 -7.769 1.00 0.00 C ATOM 1472 CD LYS A 94 10.611 3.828 -8.726 1.00 0.00 C ATOM 1473 CE LYS A 94 11.927 3.605 -9.473 1.00 0.00 C ATOM 1474 NZ LYS A 94 11.646 3.417 -10.927 1.00 0.00 N ATOM 0 H LYS A 94 9.020 1.840 -5.169 1.00 0.00 H new ATOM 0 HA LYS A 94 8.733 4.142 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.799 1.193 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.365 2.295 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.764 2.890 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.933 1.777 -8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.787 3.917 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.650 4.761 -8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.590 4.458 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.440 2.730 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.540 3.265 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.029 2.590 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.174 4.264 -11.302 1.00 0.00 H new ATOM 1488 N ALA A 95 5.969 2.385 -7.073 1.00 0.00 N ATOM 1489 CA ALA A 95 4.617 2.360 -7.574 1.00 0.00 C ATOM 1490 C ALA A 95 3.625 3.152 -6.694 1.00 0.00 C ATOM 1491 O ALA A 95 2.579 3.613 -7.179 1.00 0.00 O ATOM 1492 CB ALA A 95 4.094 0.948 -7.791 1.00 0.00 C ATOM 0 H ALA A 95 6.288 1.458 -6.791 1.00 0.00 H new ATOM 0 HA ALA A 95 4.678 2.857 -8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.072 0.992 -8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.726 0.433 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.108 0.405 -6.846 1.00 0.00 H new ATOM 1498 N ALA A 96 3.935 3.253 -5.392 1.00 0.00 N ATOM 1499 CA ALA A 96 3.328 4.196 -4.449 1.00 0.00 C ATOM 1500 C ALA A 96 3.519 5.642 -4.906 1.00 0.00 C ATOM 1501 O ALA A 96 2.619 6.493 -4.803 1.00 0.00 O ATOM 1502 CB ALA A 96 3.951 4.014 -3.038 1.00 0.00 C ATOM 0 H ALA A 96 4.640 2.659 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 96 2.259 3.985 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.493 4.719 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.774 2.996 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.024 4.198 -3.088 1.00 0.00 H new ATOM 1508 N VAL A 97 4.745 5.962 -5.393 1.00 0.00 N ATOM 1509 CA VAL A 97 5.175 7.320 -5.777 1.00 0.00 C ATOM 1510 C VAL A 97 4.611 7.657 -7.172 1.00 0.00 C ATOM 1511 O VAL A 97 4.329 8.818 -7.480 1.00 0.00 O ATOM 1512 CB VAL A 97 6.698 7.464 -5.662 1.00 0.00 C ATOM 1513 CG1 VAL A 97 7.265 8.803 -6.206 1.00 0.00 C ATOM 1514 CG2 VAL A 97 7.236 7.195 -4.250 1.00 0.00 C ATOM 0 H VAL A 97 5.475 5.263 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 97 4.768 8.058 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 97 7.066 6.676 -6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.348 8.816 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.018 8.900 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.827 9.635 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.319 7.315 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.789 7.901 -3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 97 6.982 6.178 -3.952 1.00 0.00 H new ATOM 1524 N ALA A 98 4.520 6.625 -8.053 1.00 0.00 N ATOM 1525 CA ALA A 98 3.944 6.699 -9.399 1.00 0.00 C ATOM 1526 C ALA A 98 2.409 6.488 -9.371 1.00 0.00 C ATOM 1527 O ALA A 98 1.716 6.802 -10.344 1.00 0.00 O ATOM 1528 CB ALA A 98 4.602 5.700 -10.349 1.00 0.00 C ATOM 0 H ALA A 98 4.861 5.691 -7.825 1.00 0.00 H new ATOM 0 HA ALA A 98 4.143 7.703 -9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.149 5.784 -11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.669 5.913 -10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.459 4.688 -9.969 1.00 0.00 H new ATOM 1534 N ALA A 99 1.921 5.901 -8.277 1.00 0.00 N ATOM 1535 CA ALA A 99 0.537 5.998 -7.814 1.00 0.00 C ATOM 1536 C ALA A 99 0.065 7.473 -7.733 1.00 0.00 C ATOM 1537 O ALA A 99 -0.918 7.870 -8.386 1.00 0.00 O ATOM 1538 CB ALA A 99 0.368 5.311 -6.459 1.00 0.00 C ATOM 0 H ALA A 99 2.500 5.324 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.088 5.486 -8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.669 5.396 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.635 4.258 -6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.018 5.788 -5.725 1.00 0.00 H new ATOM 1544 N ILE A 100 0.750 8.233 -6.886 1.00 0.00 N ATOM 1545 CA ILE A 100 0.535 9.692 -6.614 1.00 0.00 C ATOM 1546 C ILE A 100 0.535 10.438 -7.981 1.00 0.00 C ATOM 1547 O ILE A 100 -0.409 11.115 -8.349 1.00 0.00 O ATOM 1548 CB ILE A 100 1.581 10.226 -5.613 1.00 0.00 C ATOM 1549 CG1 ILE A 100 1.054 10.228 -4.174 1.00 0.00 C ATOM 1550 CG2 ILE A 100 2.229 11.555 -6.044 1.00 0.00 C ATOM 1551 CD1 ILE A 100 2.052 9.922 -3.044 1.00 0.00 C ATOM 0 H ILE A 100 1.515 7.850 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.428 9.865 -6.133 1.00 0.00 H new ATOM 0 HB ILE A 100 2.406 9.514 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.617 11.207 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.245 9.500 -4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.953 11.868 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.735 11.420 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.459 12.319 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.537 9.959 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.475 8.928 -3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.852 10.662 -3.055 1.00 0.00 H new ATOM 1563 N LYS A 101 1.680 10.293 -8.684 1.00 0.00 N ATOM 1564 CA LYS A 101 1.933 10.891 -10.005 1.00 0.00 C ATOM 1565 C LYS A 101 1.011 10.393 -11.115 1.00 0.00 C ATOM 1566 O LYS A 101 0.888 11.019 -12.182 1.00 0.00 O ATOM 1567 CB LYS A 101 3.398 10.791 -10.419 1.00 0.00 C ATOM 1568 CG LYS A 101 3.881 12.097 -11.064 1.00 0.00 C ATOM 1569 CD LYS A 101 5.413 12.123 -11.368 1.00 0.00 C ATOM 1570 CE LYS A 101 5.901 13.570 -11.161 1.00 0.00 C ATOM 1571 NZ LYS A 101 5.781 14.347 -12.398 1.00 0.00 N ATOM 0 H LYS A 101 2.468 9.745 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 101 1.689 11.945 -9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.011 10.564 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 101 3.525 9.967 -11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.333 12.256 -11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.637 12.929 -10.403 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.947 11.440 -10.707 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.607 11.795 -12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.318 14.045 -10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.940 13.564 -10.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.116 15.318 -12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.356 13.905 -13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.785 14.371 -12.698 1.00 0.00 H new