USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 539 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 Single : A 5 SER OG : rot 180:sc= -0.899 USER MOD Single : A 7 THR OG1 : rot -74:sc= 0.128 USER MOD Single : A 11 THR OG1 : rot 114:sc= 0.0933 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.306 USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -4.16! (180deg=-5.24!) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.172) USER MOD Single : A 37 TYR OH : rot 109:sc= -5.47! USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0291) USER MOD Single : A 42 ASN : amide:sc= -5.6! C(o=-5.6!,f=-5!) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=0.72) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -82:sc= 0.321 USER MOD Single : A 55 SER OG : rot -120:sc= 0.531 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -114:sc= -0.796 USER MOD Single : A 61 GLN : amide:sc= -12.1! C(o=-12!,f=-7.1!) USER MOD Single : A 62 THR OG1 : rot -49:sc= 0.0638 USER MOD Single : A 70 SER OG : rot 97:sc= 0.21 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 4 8.119 -4.074 9.478 1.00 0.00 N ATOM 38 CA PRO A 4 9.427 -3.393 9.374 1.00 0.00 C ATOM 39 C PRO A 4 9.529 -2.649 8.042 1.00 0.00 C ATOM 40 O PRO A 4 9.488 -3.241 6.981 1.00 0.00 O ATOM 41 CB PRO A 4 10.456 -4.522 9.446 1.00 0.00 C ATOM 42 CG PRO A 4 9.717 -5.803 9.017 1.00 0.00 C ATOM 43 CD PRO A 4 8.215 -5.529 9.210 1.00 0.00 C ATOM 0 HA PRO A 4 9.578 -2.652 10.158 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.301 -4.321 8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.855 -4.622 10.456 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.936 -6.047 7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.036 -6.654 9.618 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.647 -5.805 8.322 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.812 -6.110 10.039 1.00 0.00 H new ATOM 51 N SER A 5 9.660 -1.354 8.097 1.00 0.00 N ATOM 52 CA SER A 5 9.764 -0.552 6.847 1.00 0.00 C ATOM 53 C SER A 5 8.688 -0.993 5.851 1.00 0.00 C ATOM 54 O SER A 5 7.856 -1.827 6.146 1.00 0.00 O ATOM 55 CB SER A 5 11.148 -0.734 6.232 1.00 0.00 C ATOM 56 OG SER A 5 11.791 -1.847 6.838 1.00 0.00 O ATOM 0 H SER A 5 9.700 -0.813 8.961 1.00 0.00 H new ATOM 0 HA SER A 5 9.614 0.501 7.085 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.063 -0.891 5.157 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.744 0.167 6.377 1.00 0.00 H new ATOM 0 HG SER A 5 12.680 -1.966 6.443 1.00 0.00 H new ATOM 62 N VAL A 6 8.685 -0.412 4.681 1.00 0.00 N ATOM 63 CA VAL A 6 7.651 -0.763 3.664 1.00 0.00 C ATOM 64 C VAL A 6 6.285 -0.877 4.352 1.00 0.00 C ATOM 65 O VAL A 6 5.389 -1.565 3.904 1.00 0.00 O ATOM 66 CB VAL A 6 8.006 -2.080 2.977 1.00 0.00 C ATOM 67 CG1 VAL A 6 7.697 -3.260 3.901 1.00 0.00 C ATOM 68 CG2 VAL A 6 7.180 -2.205 1.702 1.00 0.00 C ATOM 0 H VAL A 6 9.358 0.295 4.384 1.00 0.00 H new ATOM 0 HA VAL A 6 7.612 0.019 2.906 1.00 0.00 H new ATOM 0 HB VAL A 6 9.070 -2.090 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.955 -4.193 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.281 -3.168 4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.635 -3.262 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.424 -3.142 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.119 -2.193 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.405 -1.370 1.039 1.00 0.00 H new ATOM 78 N THR A 7 6.141 -0.168 5.425 1.00 0.00 N ATOM 79 CA THR A 7 4.876 -0.134 6.203 1.00 0.00 C ATOM 80 C THR A 7 4.808 1.283 6.737 1.00 0.00 C ATOM 81 O THR A 7 3.858 2.012 6.528 1.00 0.00 O ATOM 82 CB THR A 7 4.937 -1.134 7.363 1.00 0.00 C ATOM 83 OG1 THR A 7 6.016 -0.790 8.222 1.00 0.00 O ATOM 84 CG2 THR A 7 5.148 -2.547 6.816 1.00 0.00 C ATOM 0 H THR A 7 6.881 0.417 5.814 1.00 0.00 H new ATOM 0 HA THR A 7 4.007 -0.400 5.602 1.00 0.00 H new ATOM 0 HB THR A 7 4.001 -1.102 7.920 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.864 -1.028 7.793 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.191 -3.255 7.644 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.321 -2.809 6.157 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.083 -2.585 6.257 1.00 0.00 H new ATOM 92 N GLU A 8 5.881 1.693 7.352 1.00 0.00 N ATOM 93 CA GLU A 8 5.990 3.087 7.833 1.00 0.00 C ATOM 94 C GLU A 8 6.400 3.914 6.612 1.00 0.00 C ATOM 95 O GLU A 8 6.166 5.104 6.528 1.00 0.00 O ATOM 96 CB GLU A 8 7.076 3.170 8.908 1.00 0.00 C ATOM 97 CG GLU A 8 6.536 3.918 10.128 1.00 0.00 C ATOM 98 CD GLU A 8 5.890 2.923 11.094 1.00 0.00 C ATOM 99 OE1 GLU A 8 4.811 2.444 10.786 1.00 0.00 O ATOM 100 OE2 GLU A 8 6.485 2.656 12.125 1.00 0.00 O ATOM 0 H GLU A 8 6.696 1.109 7.542 1.00 0.00 H new ATOM 0 HA GLU A 8 5.057 3.446 8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.395 2.168 9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.953 3.683 8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.344 4.452 10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.805 4.664 9.816 1.00 0.00 H new ATOM 107 N LEU A 9 7.007 3.251 5.653 1.00 0.00 N ATOM 108 CA LEU A 9 7.446 3.918 4.399 1.00 0.00 C ATOM 109 C LEU A 9 6.211 4.139 3.503 1.00 0.00 C ATOM 110 O LEU A 9 5.987 5.222 3.003 1.00 0.00 O ATOM 111 CB LEU A 9 8.506 3.014 3.717 1.00 0.00 C ATOM 112 CG LEU A 9 8.108 2.615 2.326 1.00 0.00 C ATOM 113 CD1 LEU A 9 8.077 3.871 1.446 1.00 0.00 C ATOM 114 CD2 LEU A 9 9.141 1.623 1.780 1.00 0.00 C ATOM 0 H LEU A 9 7.217 2.254 5.695 1.00 0.00 H new ATOM 0 HA LEU A 9 7.898 4.891 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.460 3.540 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.658 2.118 4.320 1.00 0.00 H new ATOM 0 HG LEU A 9 7.124 2.146 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.789 3.597 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.354 4.580 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.066 4.330 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.861 1.326 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.124 2.094 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.174 0.742 2.421 1.00 0.00 H new ATOM 126 N ILE A 10 5.398 3.128 3.315 1.00 0.00 N ATOM 127 CA ILE A 10 4.177 3.302 2.482 1.00 0.00 C ATOM 128 C ILE A 10 3.273 4.313 3.182 1.00 0.00 C ATOM 129 O ILE A 10 2.765 5.242 2.589 1.00 0.00 O ATOM 130 CB ILE A 10 3.425 1.965 2.384 1.00 0.00 C ATOM 131 CG1 ILE A 10 4.016 1.118 1.255 1.00 0.00 C ATOM 132 CG2 ILE A 10 1.939 2.231 2.102 1.00 0.00 C ATOM 133 CD1 ILE A 10 3.042 -0.009 0.896 1.00 0.00 C ATOM 0 H ILE A 10 5.530 2.194 3.703 1.00 0.00 H new ATOM 0 HA ILE A 10 4.450 3.641 1.483 1.00 0.00 H new ATOM 0 HB ILE A 10 3.526 1.427 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.206 1.741 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.974 0.700 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.406 1.283 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.516 2.826 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.838 2.773 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.464 -0.612 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.874 -0.637 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.094 0.419 0.570 1.00 0.00 H new ATOM 145 N THR A 11 3.058 4.103 4.448 1.00 0.00 N ATOM 146 CA THR A 11 2.174 5.002 5.230 1.00 0.00 C ATOM 147 C THR A 11 2.542 6.470 4.966 1.00 0.00 C ATOM 148 O THR A 11 1.750 7.365 5.186 1.00 0.00 O ATOM 149 CB THR A 11 2.335 4.671 6.715 1.00 0.00 C ATOM 150 OG1 THR A 11 1.765 3.396 6.973 1.00 0.00 O ATOM 151 CG2 THR A 11 1.624 5.728 7.563 1.00 0.00 C ATOM 0 H THR A 11 3.464 3.334 4.981 1.00 0.00 H new ATOM 0 HA THR A 11 1.136 4.855 4.930 1.00 0.00 H new ATOM 0 HB THR A 11 3.394 4.661 6.971 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.472 2.766 7.225 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.742 5.487 8.619 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.059 6.707 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.564 5.744 7.311 1.00 0.00 H new ATOM 159 N LYS A 12 3.726 6.734 4.484 1.00 0.00 N ATOM 160 CA LYS A 12 4.097 8.148 4.196 1.00 0.00 C ATOM 161 C LYS A 12 3.221 8.642 3.045 1.00 0.00 C ATOM 162 O LYS A 12 2.613 9.692 3.114 1.00 0.00 O ATOM 163 CB LYS A 12 5.572 8.227 3.793 1.00 0.00 C ATOM 164 CG LYS A 12 6.414 8.611 5.010 1.00 0.00 C ATOM 165 CD LYS A 12 7.086 9.963 4.757 1.00 0.00 C ATOM 166 CE LYS A 12 6.903 10.862 5.981 1.00 0.00 C ATOM 167 NZ LYS A 12 7.927 11.945 5.959 1.00 0.00 N ATOM 0 H LYS A 12 4.445 6.040 4.279 1.00 0.00 H new ATOM 0 HA LYS A 12 3.945 8.766 5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.903 7.267 3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.704 8.962 2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.785 8.666 5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.168 7.847 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.147 9.821 4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.653 10.437 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.902 11.293 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.999 10.275 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.803 12.557 6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.878 11.524 5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.815 12.511 5.094 1.00 0.00 H new ATOM 181 N ALA A 13 3.140 7.875 1.992 1.00 0.00 N ATOM 182 CA ALA A 13 2.289 8.271 0.835 1.00 0.00 C ATOM 183 C ALA A 13 0.817 8.074 1.207 1.00 0.00 C ATOM 184 O ALA A 13 -0.076 8.425 0.462 1.00 0.00 O ATOM 185 CB ALA A 13 2.625 7.390 -0.373 1.00 0.00 C ATOM 0 H ALA A 13 3.629 6.987 1.883 1.00 0.00 H new ATOM 0 HA ALA A 13 2.473 9.316 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.002 7.680 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.675 7.517 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.437 6.345 -0.125 1.00 0.00 H new ATOM 191 N VAL A 14 0.560 7.503 2.355 1.00 0.00 N ATOM 192 CA VAL A 14 -0.846 7.267 2.780 1.00 0.00 C ATOM 193 C VAL A 14 -1.607 8.601 2.818 1.00 0.00 C ATOM 194 O VAL A 14 -2.764 8.680 2.453 1.00 0.00 O ATOM 195 CB VAL A 14 -0.836 6.585 4.161 1.00 0.00 C ATOM 196 CG1 VAL A 14 -1.400 7.501 5.261 1.00 0.00 C ATOM 197 CG2 VAL A 14 -1.665 5.300 4.090 1.00 0.00 C ATOM 0 H VAL A 14 1.269 7.190 3.018 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.355 6.615 2.070 1.00 0.00 H new ATOM 0 HB VAL A 14 0.199 6.360 4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.374 6.979 6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.797 8.407 5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.429 7.767 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.663 4.811 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.690 5.543 3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.234 4.629 3.347 1.00 0.00 H new ATOM 207 N SER A 15 -0.967 9.643 3.274 1.00 0.00 N ATOM 208 CA SER A 15 -1.646 10.968 3.359 1.00 0.00 C ATOM 209 C SER A 15 -2.007 11.477 1.960 1.00 0.00 C ATOM 210 O SER A 15 -3.071 12.021 1.748 1.00 0.00 O ATOM 211 CB SER A 15 -0.713 11.970 4.036 1.00 0.00 C ATOM 212 OG SER A 15 0.065 11.299 5.018 1.00 0.00 O ATOM 0 H SER A 15 0.002 9.634 3.593 1.00 0.00 H new ATOM 0 HA SER A 15 -2.562 10.858 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.062 12.436 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.293 12.769 4.498 1.00 0.00 H new ATOM 0 HG SER A 15 0.666 11.939 5.453 1.00 0.00 H new ATOM 218 N ALA A 16 -1.129 11.318 1.007 1.00 0.00 N ATOM 219 CA ALA A 16 -1.431 11.811 -0.368 1.00 0.00 C ATOM 220 C ALA A 16 -2.202 10.746 -1.153 1.00 0.00 C ATOM 221 O ALA A 16 -2.202 10.739 -2.368 1.00 0.00 O ATOM 222 CB ALA A 16 -0.123 12.131 -1.093 1.00 0.00 C ATOM 0 H ALA A 16 -0.220 10.870 1.120 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.042 12.711 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.343 12.491 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.420 12.900 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.488 11.230 -1.156 1.00 0.00 H new ATOM 228 N SER A 17 -2.863 9.849 -0.475 1.00 0.00 N ATOM 229 CA SER A 17 -3.633 8.794 -1.192 1.00 0.00 C ATOM 230 C SER A 17 -5.063 8.749 -0.649 1.00 0.00 C ATOM 231 O SER A 17 -5.493 7.761 -0.087 1.00 0.00 O ATOM 232 CB SER A 17 -2.965 7.436 -0.976 1.00 0.00 C ATOM 233 OG SER A 17 -2.004 7.216 -2.001 1.00 0.00 O ATOM 0 H SER A 17 -2.903 9.801 0.543 1.00 0.00 H new ATOM 0 HA SER A 17 -3.654 9.023 -2.258 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.484 7.406 0.002 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.714 6.644 -0.987 1.00 0.00 H new ATOM 0 HG SER A 17 -1.573 6.347 -1.864 1.00 0.00 H new ATOM 239 N LYS A 18 -5.804 9.812 -0.812 1.00 0.00 N ATOM 240 CA LYS A 18 -7.205 9.829 -0.305 1.00 0.00 C ATOM 241 C LYS A 18 -8.163 10.140 -1.455 1.00 0.00 C ATOM 242 O LYS A 18 -8.916 11.092 -1.408 1.00 0.00 O ATOM 243 CB LYS A 18 -7.345 10.901 0.777 1.00 0.00 C ATOM 244 CG LYS A 18 -8.247 10.379 1.896 1.00 0.00 C ATOM 245 CD LYS A 18 -8.522 11.502 2.896 1.00 0.00 C ATOM 246 CE LYS A 18 -9.604 11.054 3.880 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.330 12.248 4.398 1.00 0.00 N ATOM 0 H LYS A 18 -5.499 10.669 -1.274 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.448 8.853 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.365 11.160 1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.766 11.811 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.185 10.011 1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.770 9.538 2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.609 11.756 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.843 12.401 2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.301 10.377 3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.154 10.502 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.066 11.944 5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.660 12.878 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.772 12.757 3.606 1.00 0.00 H new ATOM 261 N GLU A 19 -8.145 9.342 -2.488 1.00 0.00 N ATOM 262 CA GLU A 19 -9.061 9.592 -3.635 1.00 0.00 C ATOM 263 C GLU A 19 -10.471 9.139 -3.255 1.00 0.00 C ATOM 264 O GLU A 19 -10.723 8.744 -2.135 1.00 0.00 O ATOM 265 CB GLU A 19 -8.582 8.804 -4.857 1.00 0.00 C ATOM 266 CG GLU A 19 -8.089 9.777 -5.930 1.00 0.00 C ATOM 267 CD GLU A 19 -8.981 9.664 -7.167 1.00 0.00 C ATOM 268 OE1 GLU A 19 -10.161 9.401 -6.999 1.00 0.00 O ATOM 269 OE2 GLU A 19 -8.470 9.842 -8.260 1.00 0.00 O ATOM 0 H GLU A 19 -7.536 8.529 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.067 10.655 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.780 8.123 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.394 8.193 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.107 10.797 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.055 9.553 -6.192 1.00 0.00 H new ATOM 276 N ARG A 20 -11.393 9.192 -4.175 1.00 0.00 N ATOM 277 CA ARG A 20 -12.783 8.761 -3.854 1.00 0.00 C ATOM 278 C ARG A 20 -12.988 7.313 -4.307 1.00 0.00 C ATOM 279 O ARG A 20 -14.002 6.969 -4.881 1.00 0.00 O ATOM 280 CB ARG A 20 -13.783 9.672 -4.572 1.00 0.00 C ATOM 281 CG ARG A 20 -13.657 9.484 -6.083 1.00 0.00 C ATOM 282 CD ARG A 20 -14.939 9.966 -6.763 1.00 0.00 C ATOM 283 NE ARG A 20 -15.958 8.880 -6.722 1.00 0.00 N ATOM 284 CZ ARG A 20 -17.215 9.157 -6.939 1.00 0.00 C ATOM 285 NH1 ARG A 20 -17.539 10.095 -7.785 1.00 0.00 N ATOM 286 NH2 ARG A 20 -18.146 8.496 -6.309 1.00 0.00 N ATOM 0 H ARG A 20 -11.246 9.514 -5.132 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.943 8.829 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.798 9.439 -4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.596 10.713 -4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.800 10.042 -6.460 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.481 8.434 -6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.319 10.855 -6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.733 10.248 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.674 7.921 -6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.810 10.612 -8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.521 10.312 -7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.892 7.763 -5.647 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.128 8.712 -6.478 1.00 0.00 H new ATOM 300 N LYS A 21 -12.032 6.461 -4.049 1.00 0.00 N ATOM 301 CA LYS A 21 -12.170 5.035 -4.460 1.00 0.00 C ATOM 302 C LYS A 21 -10.969 4.240 -3.940 1.00 0.00 C ATOM 303 O LYS A 21 -11.079 3.465 -3.012 1.00 0.00 O ATOM 304 CB LYS A 21 -12.220 4.946 -5.988 1.00 0.00 C ATOM 305 CG LYS A 21 -13.573 4.379 -6.424 1.00 0.00 C ATOM 306 CD LYS A 21 -13.683 4.431 -7.951 1.00 0.00 C ATOM 307 CE LYS A 21 -13.578 3.015 -8.521 1.00 0.00 C ATOM 308 NZ LYS A 21 -13.227 3.084 -9.968 1.00 0.00 N ATOM 0 H LYS A 21 -11.161 6.692 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.089 4.622 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.070 5.933 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.413 4.310 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.677 3.351 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.382 4.952 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.632 4.882 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.892 5.059 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.820 2.449 -7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.523 2.488 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.156 2.121 -10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.965 3.609 -10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.315 3.571 -10.081 1.00 0.00 H new ATOM 322 N GLY A 22 -9.824 4.431 -4.535 1.00 0.00 N ATOM 323 CA GLY A 22 -8.604 3.696 -4.089 1.00 0.00 C ATOM 324 C GLY A 22 -7.537 3.819 -5.174 1.00 0.00 C ATOM 325 O GLY A 22 -7.663 3.249 -6.239 1.00 0.00 O ATOM 0 H GLY A 22 -9.679 5.069 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.237 4.108 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.839 2.647 -3.907 1.00 0.00 H new ATOM 329 N LEU A 23 -6.495 4.568 -4.921 1.00 0.00 N ATOM 330 CA LEU A 23 -5.434 4.728 -5.955 1.00 0.00 C ATOM 331 C LEU A 23 -5.153 3.362 -6.593 1.00 0.00 C ATOM 332 O LEU A 23 -5.726 3.030 -7.610 1.00 0.00 O ATOM 333 CB LEU A 23 -4.154 5.301 -5.313 1.00 0.00 C ATOM 334 CG LEU A 23 -3.489 6.342 -6.235 1.00 0.00 C ATOM 335 CD1 LEU A 23 -3.814 6.059 -7.706 1.00 0.00 C ATOM 336 CD2 LEU A 23 -3.985 7.742 -5.869 1.00 0.00 C ATOM 0 H LEU A 23 -6.335 5.072 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.768 5.423 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.398 5.762 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.453 4.492 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.409 6.280 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.333 6.808 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.447 5.069 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.893 6.099 -7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.514 8.477 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.067 7.788 -5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.728 7.960 -4.832 1.00 0.00 H new ATOM 348 N SER A 24 -4.299 2.563 -5.994 1.00 0.00 N ATOM 349 CA SER A 24 -3.989 1.212 -6.544 1.00 0.00 C ATOM 350 C SER A 24 -2.554 0.849 -6.177 1.00 0.00 C ATOM 351 O SER A 24 -1.677 1.684 -6.196 1.00 0.00 O ATOM 352 CB SER A 24 -4.122 1.208 -8.069 1.00 0.00 C ATOM 353 OG SER A 24 -3.401 0.104 -8.599 1.00 0.00 O ATOM 0 H SER A 24 -3.800 2.798 -5.136 1.00 0.00 H new ATOM 0 HA SER A 24 -4.690 0.490 -6.125 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.172 1.142 -8.354 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.737 2.141 -8.482 1.00 0.00 H new ATOM 0 HG SER A 24 -3.485 0.097 -9.575 1.00 0.00 H new ATOM 359 N LEU A 25 -2.304 -0.390 -5.853 1.00 0.00 N ATOM 360 CA LEU A 25 -0.905 -0.796 -5.501 1.00 0.00 C ATOM 361 C LEU A 25 0.055 -0.279 -6.580 1.00 0.00 C ATOM 362 O LEU A 25 1.246 -0.197 -6.371 1.00 0.00 O ATOM 363 CB LEU A 25 -0.731 -2.332 -5.379 1.00 0.00 C ATOM 364 CG LEU A 25 -1.930 -3.133 -5.915 1.00 0.00 C ATOM 365 CD1 LEU A 25 -3.095 -3.060 -4.924 1.00 0.00 C ATOM 366 CD2 LEU A 25 -2.355 -2.607 -7.290 1.00 0.00 C ATOM 0 H LEU A 25 -2.998 -1.136 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.683 -0.362 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.166 -2.632 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.572 -2.589 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.634 -4.176 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.939 -3.630 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.785 -3.478 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.392 -2.020 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.204 -3.185 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.639 -1.558 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.524 -2.703 -7.989 1.00 0.00 H new ATOM 378 N ALA A 26 -0.443 0.074 -7.736 1.00 0.00 N ATOM 379 CA ALA A 26 0.457 0.583 -8.810 1.00 0.00 C ATOM 380 C ALA A 26 0.820 2.054 -8.556 1.00 0.00 C ATOM 381 O ALA A 26 1.275 2.751 -9.441 1.00 0.00 O ATOM 382 CB ALA A 26 -0.255 0.469 -10.156 1.00 0.00 C ATOM 0 H ALA A 26 -1.432 0.032 -7.982 1.00 0.00 H new ATOM 0 HA ALA A 26 1.371 -0.011 -8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.398 0.840 -10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.502 -0.575 -10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.170 1.061 -10.135 1.00 0.00 H new ATOM 388 N ALA A 27 0.638 2.524 -7.355 1.00 0.00 N ATOM 389 CA ALA A 27 0.983 3.931 -7.027 1.00 0.00 C ATOM 390 C ALA A 27 1.623 3.931 -5.645 1.00 0.00 C ATOM 391 O ALA A 27 2.796 4.207 -5.490 1.00 0.00 O ATOM 392 CB ALA A 27 -0.285 4.787 -7.011 1.00 0.00 C ATOM 0 H ALA A 27 0.259 1.984 -6.577 1.00 0.00 H new ATOM 0 HA ALA A 27 1.666 4.344 -7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.025 5.818 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.760 4.752 -7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.975 4.402 -6.260 1.00 0.00 H new ATOM 398 N LEU A 28 0.866 3.584 -4.640 1.00 0.00 N ATOM 399 CA LEU A 28 1.437 3.522 -3.272 1.00 0.00 C ATOM 400 C LEU A 28 2.647 2.595 -3.306 1.00 0.00 C ATOM 401 O LEU A 28 3.752 2.983 -2.985 1.00 0.00 O ATOM 402 CB LEU A 28 0.396 2.953 -2.308 1.00 0.00 C ATOM 403 CG LEU A 28 1.002 2.881 -0.912 1.00 0.00 C ATOM 404 CD1 LEU A 28 1.227 4.304 -0.395 1.00 0.00 C ATOM 405 CD2 LEU A 28 0.049 2.141 0.028 1.00 0.00 C ATOM 0 H LEU A 28 -0.122 3.342 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 28 1.726 4.519 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.494 3.582 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.083 1.961 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 28 1.951 2.346 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.661 4.264 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.907 4.831 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.274 4.832 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.487 2.092 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.902 2.672 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.118 1.131 -0.345 1.00 0.00 H new ATOM 417 N LYS A 29 2.446 1.369 -3.711 1.00 0.00 N ATOM 418 CA LYS A 29 3.586 0.420 -3.787 1.00 0.00 C ATOM 419 C LYS A 29 4.524 0.871 -4.915 1.00 0.00 C ATOM 420 O LYS A 29 5.676 0.497 -4.956 1.00 0.00 O ATOM 421 CB LYS A 29 3.076 -0.994 -4.099 1.00 0.00 C ATOM 422 CG LYS A 29 2.663 -1.755 -2.820 1.00 0.00 C ATOM 423 CD LYS A 29 2.605 -3.268 -3.144 1.00 0.00 C ATOM 424 CE LYS A 29 2.227 -3.510 -4.615 1.00 0.00 C ATOM 425 NZ LYS A 29 1.314 -4.681 -4.707 1.00 0.00 N ATOM 0 H LYS A 29 1.542 0.988 -3.991 1.00 0.00 H new ATOM 0 HA LYS A 29 4.112 0.407 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.223 -0.931 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.854 -1.554 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.379 -1.566 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.692 -1.406 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.573 -3.724 -2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.877 -3.754 -2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.743 -2.625 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.124 -3.688 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.463 -5.167 -5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.513 -5.338 -3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.327 -4.358 -4.645 1.00 0.00 H new ATOM 439 N LYS A 30 4.045 1.683 -5.829 1.00 0.00 N ATOM 440 CA LYS A 30 4.922 2.147 -6.942 1.00 0.00 C ATOM 441 C LYS A 30 5.794 3.292 -6.442 1.00 0.00 C ATOM 442 O LYS A 30 6.770 3.666 -7.063 1.00 0.00 O ATOM 443 CB LYS A 30 4.060 2.622 -8.113 1.00 0.00 C ATOM 444 CG LYS A 30 3.783 1.446 -9.050 1.00 0.00 C ATOM 445 CD LYS A 30 5.099 0.958 -9.660 1.00 0.00 C ATOM 446 CE LYS A 30 5.189 1.419 -11.116 1.00 0.00 C ATOM 447 NZ LYS A 30 5.455 2.884 -11.157 1.00 0.00 N ATOM 0 H LYS A 30 3.090 2.040 -5.849 1.00 0.00 H new ATOM 0 HA LYS A 30 5.555 1.327 -7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.122 3.036 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.569 3.420 -8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.302 0.636 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.095 1.750 -9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.943 1.349 -9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.155 -0.129 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.984 0.880 -11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.260 1.192 -11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.684 3.168 -12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.611 3.399 -10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.256 3.109 -10.533 1.00 0.00 H new ATOM 461 N ALA A 31 5.465 3.833 -5.304 1.00 0.00 N ATOM 462 CA ALA A 31 6.285 4.929 -4.738 1.00 0.00 C ATOM 463 C ALA A 31 7.302 4.294 -3.799 1.00 0.00 C ATOM 464 O ALA A 31 8.301 4.885 -3.443 1.00 0.00 O ATOM 465 CB ALA A 31 5.390 5.896 -3.961 1.00 0.00 C ATOM 0 H ALA A 31 4.659 3.560 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 31 6.786 5.488 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.997 6.701 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.640 6.316 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.894 5.361 -3.151 1.00 0.00 H new ATOM 471 N LEU A 32 7.046 3.075 -3.403 1.00 0.00 N ATOM 472 CA LEU A 32 7.977 2.367 -2.497 1.00 0.00 C ATOM 473 C LEU A 32 9.266 2.069 -3.211 1.00 0.00 C ATOM 474 O LEU A 32 10.223 1.627 -2.608 1.00 0.00 O ATOM 475 CB LEU A 32 7.350 1.066 -2.048 1.00 0.00 C ATOM 476 CG LEU A 32 6.197 1.374 -1.124 1.00 0.00 C ATOM 477 CD1 LEU A 32 5.338 0.134 -0.971 1.00 0.00 C ATOM 478 CD2 LEU A 32 6.758 1.760 0.198 1.00 0.00 C ATOM 0 H LEU A 32 6.221 2.540 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 32 8.181 3.000 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.001 0.498 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.088 0.448 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 32 5.587 2.183 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.503 0.350 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.955 -0.166 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.937 -0.674 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.944 1.988 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.350 0.936 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.392 2.639 0.082 1.00 0.00 H new ATOM 490 N ALA A 33 9.332 2.335 -4.481 1.00 0.00 N ATOM 491 CA ALA A 33 10.605 2.095 -5.192 1.00 0.00 C ATOM 492 C ALA A 33 11.738 2.681 -4.341 1.00 0.00 C ATOM 493 O ALA A 33 12.889 2.324 -4.491 1.00 0.00 O ATOM 494 CB ALA A 33 10.574 2.787 -6.556 1.00 0.00 C ATOM 0 H ALA A 33 8.569 2.703 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 33 10.758 1.027 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.515 2.607 -7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.750 2.388 -7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.435 3.859 -6.417 1.00 0.00 H new ATOM 500 N ALA A 34 11.408 3.584 -3.434 1.00 0.00 N ATOM 501 CA ALA A 34 12.450 4.197 -2.561 1.00 0.00 C ATOM 502 C ALA A 34 13.687 4.485 -3.398 1.00 0.00 C ATOM 503 O ALA A 34 14.798 4.509 -2.906 1.00 0.00 O ATOM 504 CB ALA A 34 12.808 3.230 -1.433 1.00 0.00 C ATOM 0 H ALA A 34 10.458 3.917 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 34 12.072 5.124 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.570 3.680 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.918 3.017 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.192 2.302 -1.857 1.00 0.00 H new ATOM 510 N GLY A 35 13.495 4.696 -4.665 1.00 0.00 N ATOM 511 CA GLY A 35 14.656 4.973 -5.560 1.00 0.00 C ATOM 512 C GLY A 35 15.283 3.646 -6.004 1.00 0.00 C ATOM 513 O GLY A 35 15.583 3.449 -7.166 1.00 0.00 O ATOM 0 H GLY A 35 12.584 4.690 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.331 5.544 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.395 5.581 -5.038 1.00 0.00 H new ATOM 517 N GLY A 36 15.470 2.729 -5.090 1.00 0.00 N ATOM 518 CA GLY A 36 16.062 1.410 -5.457 1.00 0.00 C ATOM 519 C GLY A 36 14.933 0.391 -5.582 1.00 0.00 C ATOM 520 O GLY A 36 14.726 -0.197 -6.626 1.00 0.00 O ATOM 0 H GLY A 36 15.237 2.838 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.608 1.488 -6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.777 1.092 -4.699 1.00 0.00 H new ATOM 524 N TYR A 37 14.183 0.199 -4.528 1.00 0.00 N ATOM 525 CA TYR A 37 13.040 -0.756 -4.580 1.00 0.00 C ATOM 526 C TYR A 37 12.310 -0.558 -5.902 1.00 0.00 C ATOM 527 O TYR A 37 12.364 0.507 -6.484 1.00 0.00 O ATOM 528 CB TYR A 37 12.063 -0.430 -3.445 1.00 0.00 C ATOM 529 CG TYR A 37 12.473 -1.090 -2.148 1.00 0.00 C ATOM 530 CD1 TYR A 37 13.524 -2.011 -2.109 1.00 0.00 C ATOM 531 CD2 TYR A 37 11.780 -0.775 -0.974 1.00 0.00 C ATOM 532 CE1 TYR A 37 13.881 -2.612 -0.900 1.00 0.00 C ATOM 533 CE2 TYR A 37 12.140 -1.376 0.235 1.00 0.00 C ATOM 534 CZ TYR A 37 13.191 -2.296 0.273 1.00 0.00 C ATOM 535 OH TYR A 37 13.547 -2.890 1.468 1.00 0.00 O ATOM 0 H TYR A 37 14.315 0.665 -3.630 1.00 0.00 H new ATOM 0 HA TYR A 37 13.404 -1.779 -4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.015 0.650 -3.305 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.061 -0.760 -3.721 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.060 -2.258 -3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.966 -0.066 -1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.693 -3.323 -0.872 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.606 -1.129 1.141 1.00 0.00 H new ATOM 0 HH TYR A 37 13.978 -2.227 2.047 1.00 0.00 H new ATOM 545 N ASP A 38 11.614 -1.545 -6.390 1.00 0.00 N ATOM 546 CA ASP A 38 10.892 -1.329 -7.658 1.00 0.00 C ATOM 547 C ASP A 38 9.665 -2.227 -7.703 1.00 0.00 C ATOM 548 O ASP A 38 9.165 -2.518 -8.769 1.00 0.00 O ATOM 549 CB ASP A 38 11.813 -1.636 -8.845 1.00 0.00 C ATOM 550 CG ASP A 38 11.720 -0.506 -9.871 1.00 0.00 C ATOM 551 OD1 ASP A 38 12.149 0.591 -9.555 1.00 0.00 O ATOM 552 OD2 ASP A 38 11.216 -0.756 -10.954 1.00 0.00 O ATOM 0 H ASP A 38 11.518 -2.470 -5.972 1.00 0.00 H new ATOM 0 HA ASP A 38 10.577 -0.287 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.842 -1.745 -8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.528 -2.582 -9.304 1.00 0.00 H new ATOM 557 N VAL A 39 9.192 -2.708 -6.561 1.00 0.00 N ATOM 558 CA VAL A 39 8.012 -3.609 -6.572 1.00 0.00 C ATOM 559 C VAL A 39 8.244 -4.627 -7.673 1.00 0.00 C ATOM 560 O VAL A 39 7.333 -5.190 -8.245 1.00 0.00 O ATOM 561 CB VAL A 39 6.735 -2.799 -6.821 1.00 0.00 C ATOM 562 CG1 VAL A 39 6.588 -1.736 -5.735 1.00 0.00 C ATOM 563 CG2 VAL A 39 6.813 -2.111 -8.176 1.00 0.00 C ATOM 0 H VAL A 39 9.579 -2.508 -5.639 1.00 0.00 H new ATOM 0 HA VAL A 39 7.888 -4.114 -5.614 1.00 0.00 H new ATOM 0 HB VAL A 39 5.878 -3.473 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.680 -1.159 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.528 -2.218 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.451 -1.070 -5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.902 -1.537 -8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.673 -1.441 -8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.921 -2.861 -8.959 1.00 0.00 H new ATOM 573 N GLU A 40 9.495 -4.860 -7.951 1.00 0.00 N ATOM 574 CA GLU A 40 9.886 -5.827 -8.985 1.00 0.00 C ATOM 575 C GLU A 40 10.974 -6.694 -8.376 1.00 0.00 C ATOM 576 O GLU A 40 10.722 -7.776 -7.886 1.00 0.00 O ATOM 577 CB GLU A 40 10.431 -5.076 -10.194 1.00 0.00 C ATOM 578 CG GLU A 40 9.270 -4.578 -11.057 1.00 0.00 C ATOM 579 CD GLU A 40 9.338 -5.239 -12.435 1.00 0.00 C ATOM 580 OE1 GLU A 40 10.429 -5.332 -12.972 1.00 0.00 O ATOM 581 OE2 GLU A 40 8.298 -5.641 -12.930 1.00 0.00 O ATOM 0 H GLU A 40 10.278 -4.401 -7.485 1.00 0.00 H new ATOM 0 HA GLU A 40 9.041 -6.434 -9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.041 -4.234 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.078 -5.730 -10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.320 -4.811 -10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.318 -3.494 -11.159 1.00 0.00 H new ATOM 588 N LYS A 41 12.176 -6.194 -8.335 1.00 0.00 N ATOM 589 CA LYS A 41 13.255 -6.963 -7.678 1.00 0.00 C ATOM 590 C LYS A 41 13.010 -6.851 -6.171 1.00 0.00 C ATOM 591 O LYS A 41 13.633 -7.523 -5.372 1.00 0.00 O ATOM 592 CB LYS A 41 14.622 -6.374 -8.032 1.00 0.00 C ATOM 593 CG LYS A 41 15.720 -7.280 -7.473 1.00 0.00 C ATOM 594 CD LYS A 41 17.036 -7.003 -8.200 1.00 0.00 C ATOM 595 CE LYS A 41 17.985 -8.187 -8.005 1.00 0.00 C ATOM 596 NZ LYS A 41 18.415 -8.247 -6.579 1.00 0.00 N ATOM 0 H LYS A 41 12.452 -5.293 -8.726 1.00 0.00 H new ATOM 0 HA LYS A 41 13.251 -8.002 -8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 41 14.724 -6.284 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.717 -5.370 -7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.840 -7.105 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.439 -8.326 -7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.850 -6.843 -9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.492 -6.091 -7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.488 -9.116 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.854 -8.081 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.161 -8.963 -6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.782 -7.318 -6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.602 -8.501 -5.982 1.00 0.00 H new ATOM 610 N ASN A 42 12.074 -6.008 -5.785 1.00 0.00 N ATOM 611 CA ASN A 42 11.738 -5.841 -4.358 1.00 0.00 C ATOM 612 C ASN A 42 10.222 -5.995 -4.238 1.00 0.00 C ATOM 613 O ASN A 42 9.620 -5.599 -3.264 1.00 0.00 O ATOM 614 CB ASN A 42 12.165 -4.444 -3.897 1.00 0.00 C ATOM 615 CG ASN A 42 13.677 -4.294 -4.065 1.00 0.00 C ATOM 616 OD1 ASN A 42 14.442 -4.714 -3.220 1.00 0.00 O ATOM 617 ND2 ASN A 42 14.141 -3.710 -5.133 1.00 0.00 N ATOM 0 H ASN A 42 11.529 -5.426 -6.421 1.00 0.00 H new ATOM 0 HA ASN A 42 12.250 -6.577 -3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.646 -3.682 -4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.887 -4.292 -2.854 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.148 -3.605 -5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.498 -3.358 -5.842 1.00 0.00 H new ATOM 624 N ASN A 43 9.603 -6.577 -5.239 1.00 0.00 N ATOM 625 CA ASN A 43 8.130 -6.774 -5.196 1.00 0.00 C ATOM 626 C ASN A 43 7.819 -7.802 -4.113 1.00 0.00 C ATOM 627 O ASN A 43 6.696 -7.944 -3.674 1.00 0.00 O ATOM 628 CB ASN A 43 7.631 -7.270 -6.571 1.00 0.00 C ATOM 629 CG ASN A 43 7.603 -8.804 -6.629 1.00 0.00 C ATOM 630 OD1 ASN A 43 8.623 -9.436 -6.820 1.00 0.00 O ATOM 631 ND2 ASN A 43 6.468 -9.430 -6.473 1.00 0.00 N ATOM 0 H ASN A 43 10.061 -6.922 -6.082 1.00 0.00 H new ATOM 0 HA ASN A 43 7.625 -5.835 -4.968 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.632 -6.878 -6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.280 -6.885 -7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.438 -10.449 -6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.611 -8.900 -6.313 1.00 0.00 H new ATOM 638 N SER A 44 8.814 -8.523 -3.683 1.00 0.00 N ATOM 639 CA SER A 44 8.584 -9.539 -2.634 1.00 0.00 C ATOM 640 C SER A 44 8.448 -8.841 -1.287 1.00 0.00 C ATOM 641 O SER A 44 7.954 -9.412 -0.336 1.00 0.00 O ATOM 642 CB SER A 44 9.755 -10.520 -2.597 1.00 0.00 C ATOM 643 OG SER A 44 9.265 -11.825 -2.319 1.00 0.00 O ATOM 0 H SER A 44 9.775 -8.449 -4.016 1.00 0.00 H new ATOM 0 HA SER A 44 7.670 -10.092 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.281 -10.512 -3.551 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.473 -10.218 -1.835 1.00 0.00 H new ATOM 0 HG SER A 44 10.013 -12.457 -2.296 1.00 0.00 H new ATOM 649 N ARG A 45 8.845 -7.599 -1.194 1.00 0.00 N ATOM 650 CA ARG A 45 8.677 -6.898 0.106 1.00 0.00 C ATOM 651 C ARG A 45 7.724 -5.719 -0.099 1.00 0.00 C ATOM 652 O ARG A 45 7.350 -5.036 0.834 1.00 0.00 O ATOM 653 CB ARG A 45 10.040 -6.444 0.679 1.00 0.00 C ATOM 654 CG ARG A 45 10.150 -4.912 0.714 1.00 0.00 C ATOM 655 CD ARG A 45 11.517 -4.509 1.270 1.00 0.00 C ATOM 656 NE ARG A 45 11.777 -5.245 2.540 1.00 0.00 N ATOM 657 CZ ARG A 45 12.928 -5.118 3.144 1.00 0.00 C ATOM 658 NH1 ARG A 45 13.274 -3.967 3.654 1.00 0.00 N ATOM 659 NH2 ARG A 45 13.732 -6.141 3.239 1.00 0.00 N ATOM 0 H ARG A 45 9.268 -7.053 -1.944 1.00 0.00 H new ATOM 0 HA ARG A 45 8.249 -7.580 0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.164 -6.842 1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.847 -6.855 0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.019 -4.505 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.356 -4.494 1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.297 -4.732 0.542 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.546 -3.434 1.448 1.00 0.00 H new ATOM 0 HE ARG A 45 11.056 -5.848 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.645 -3.167 3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.173 -3.868 4.126 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.462 -7.041 2.841 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.631 -6.041 3.711 1.00 0.00 H new ATOM 673 N ILE A 46 7.317 -5.493 -1.316 1.00 0.00 N ATOM 674 CA ILE A 46 6.380 -4.388 -1.602 1.00 0.00 C ATOM 675 C ILE A 46 4.972 -4.943 -1.618 1.00 0.00 C ATOM 676 O ILE A 46 4.063 -4.381 -1.040 1.00 0.00 O ATOM 677 CB ILE A 46 6.709 -3.779 -2.958 1.00 0.00 C ATOM 678 CG1 ILE A 46 8.114 -3.166 -2.916 1.00 0.00 C ATOM 679 CG2 ILE A 46 5.666 -2.708 -3.265 1.00 0.00 C ATOM 680 CD1 ILE A 46 8.099 -1.880 -2.098 1.00 0.00 C ATOM 0 H ILE A 46 7.601 -6.037 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 46 6.466 -3.616 -0.838 1.00 0.00 H new ATOM 0 HB ILE A 46 6.691 -4.541 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.816 -3.876 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.459 -2.958 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.882 -2.257 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.675 -3.161 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.695 -1.940 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.101 -1.452 -2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.411 -1.167 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.774 -2.099 -1.081 1.00 0.00 H new ATOM 692 N LYS A 47 4.785 -6.066 -2.240 1.00 0.00 N ATOM 693 CA LYS A 47 3.437 -6.668 -2.247 1.00 0.00 C ATOM 694 C LYS A 47 3.266 -7.466 -0.955 1.00 0.00 C ATOM 695 O LYS A 47 2.285 -8.153 -0.747 1.00 0.00 O ATOM 696 CB LYS A 47 3.303 -7.577 -3.451 1.00 0.00 C ATOM 697 CG LYS A 47 1.846 -7.621 -3.874 1.00 0.00 C ATOM 698 CD LYS A 47 1.521 -9.016 -4.415 1.00 0.00 C ATOM 699 CE LYS A 47 0.082 -9.047 -4.933 1.00 0.00 C ATOM 700 NZ LYS A 47 0.078 -9.483 -6.359 1.00 0.00 N ATOM 0 H LYS A 47 5.504 -6.589 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 47 2.668 -5.897 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.922 -7.212 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.655 -8.579 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.202 -7.387 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.654 -6.868 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.212 -9.275 -5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.651 -9.760 -3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.518 -9.729 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.370 -8.059 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.900 -9.505 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.637 -8.816 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.494 -10.433 -6.433 1.00 0.00 H new ATOM 714 N LEU A 48 4.220 -7.341 -0.074 1.00 0.00 N ATOM 715 CA LEU A 48 4.165 -8.029 1.232 1.00 0.00 C ATOM 716 C LEU A 48 4.054 -6.918 2.270 1.00 0.00 C ATOM 717 O LEU A 48 3.215 -6.943 3.148 1.00 0.00 O ATOM 718 CB LEU A 48 5.454 -8.848 1.420 1.00 0.00 C ATOM 719 CG LEU A 48 5.922 -8.793 2.875 1.00 0.00 C ATOM 720 CD1 LEU A 48 6.746 -10.042 3.194 1.00 0.00 C ATOM 721 CD2 LEU A 48 6.782 -7.546 3.089 1.00 0.00 C ATOM 0 H LEU A 48 5.055 -6.773 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 48 3.327 -8.721 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.279 -9.883 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.236 -8.461 0.766 1.00 0.00 H new ATOM 0 HG LEU A 48 5.054 -8.752 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.080 -10.003 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.133 -10.931 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.613 -10.084 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.115 -7.507 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.650 -7.585 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.195 -6.656 2.863 1.00 0.00 H new ATOM 733 N GLY A 49 4.877 -5.913 2.130 1.00 0.00 N ATOM 734 CA GLY A 49 4.804 -4.761 3.054 1.00 0.00 C ATOM 735 C GLY A 49 3.529 -3.992 2.721 1.00 0.00 C ATOM 736 O GLY A 49 3.045 -3.211 3.509 1.00 0.00 O ATOM 0 H GLY A 49 5.597 -5.847 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.789 -5.100 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.679 -4.121 2.941 1.00 0.00 H new ATOM 740 N LEU A 50 2.970 -4.230 1.552 1.00 0.00 N ATOM 741 CA LEU A 50 1.707 -3.536 1.173 1.00 0.00 C ATOM 742 C LEU A 50 0.536 -4.436 1.526 1.00 0.00 C ATOM 743 O LEU A 50 -0.379 -4.039 2.220 1.00 0.00 O ATOM 744 CB LEU A 50 1.647 -3.260 -0.316 1.00 0.00 C ATOM 745 CG LEU A 50 0.333 -2.528 -0.606 1.00 0.00 C ATOM 746 CD1 LEU A 50 0.576 -1.030 -0.568 1.00 0.00 C ATOM 747 CD2 LEU A 50 -0.214 -2.918 -1.979 1.00 0.00 C ATOM 0 H LEU A 50 3.338 -4.874 0.852 1.00 0.00 H new ATOM 0 HA LEU A 50 1.667 -2.588 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.498 -2.654 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.697 -4.192 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.398 -2.809 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.357 -0.505 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.942 -0.746 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.317 -0.762 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.147 -2.386 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.512 -2.654 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.397 -3.992 -2.006 1.00 0.00 H new ATOM 759 N LYS A 51 0.572 -5.668 1.085 1.00 0.00 N ATOM 760 CA LYS A 51 -0.519 -6.603 1.449 1.00 0.00 C ATOM 761 C LYS A 51 -0.694 -6.458 2.957 1.00 0.00 C ATOM 762 O LYS A 51 -1.760 -6.647 3.507 1.00 0.00 O ATOM 763 CB LYS A 51 -0.110 -8.038 1.072 1.00 0.00 C ATOM 764 CG LYS A 51 -0.722 -9.047 2.050 1.00 0.00 C ATOM 765 CD LYS A 51 -2.241 -8.884 2.065 1.00 0.00 C ATOM 766 CE LYS A 51 -2.871 -9.941 1.161 1.00 0.00 C ATOM 767 NZ LYS A 51 -3.387 -11.064 1.994 1.00 0.00 N ATOM 0 H LYS A 51 1.306 -6.058 0.494 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.450 -6.386 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.439 -8.261 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.976 -8.127 1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.457 -10.062 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.319 -8.891 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.619 -8.987 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.515 -7.886 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.683 -9.502 0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.134 -10.311 0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.816 -11.784 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.603 -11.489 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.103 -10.704 2.657 1.00 0.00 H new ATOM 781 N SER A 52 0.374 -6.082 3.612 1.00 0.00 N ATOM 782 CA SER A 52 0.331 -5.864 5.070 1.00 0.00 C ATOM 783 C SER A 52 0.172 -4.374 5.350 1.00 0.00 C ATOM 784 O SER A 52 -0.376 -4.021 6.353 1.00 0.00 O ATOM 785 CB SER A 52 1.618 -6.380 5.713 1.00 0.00 C ATOM 786 OG SER A 52 2.735 -5.743 5.106 1.00 0.00 O ATOM 0 H SER A 52 1.284 -5.917 3.182 1.00 0.00 H new ATOM 0 HA SER A 52 -0.514 -6.406 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.608 -6.180 6.784 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.691 -7.461 5.592 1.00 0.00 H new ATOM 0 HG SER A 52 2.952 -6.195 4.264 1.00 0.00 H new ATOM 792 N LEU A 53 0.609 -3.472 4.493 1.00 0.00 N ATOM 793 CA LEU A 53 0.380 -2.040 4.843 1.00 0.00 C ATOM 794 C LEU A 53 -1.125 -1.785 4.764 1.00 0.00 C ATOM 795 O LEU A 53 -1.778 -1.565 5.764 1.00 0.00 O ATOM 796 CB LEU A 53 1.126 -1.104 3.888 1.00 0.00 C ATOM 797 CG LEU A 53 1.015 0.346 4.384 1.00 0.00 C ATOM 798 CD1 LEU A 53 -0.322 0.938 3.936 1.00 0.00 C ATOM 799 CD2 LEU A 53 1.105 0.399 5.917 1.00 0.00 C ATOM 0 H LEU A 53 1.089 -3.657 3.612 1.00 0.00 H new ATOM 0 HA LEU A 53 0.759 -1.840 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.174 -1.396 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.709 -1.187 2.884 1.00 0.00 H new ATOM 0 HG LEU A 53 1.837 0.923 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.401 1.967 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.381 0.921 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.139 0.349 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.025 1.434 6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.293 -0.186 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.061 -0.013 6.240 1.00 0.00 H new ATOM 811 N VAL A 54 -1.688 -1.838 3.587 1.00 0.00 N ATOM 812 CA VAL A 54 -3.157 -1.637 3.455 1.00 0.00 C ATOM 813 C VAL A 54 -3.901 -2.518 4.472 1.00 0.00 C ATOM 814 O VAL A 54 -4.760 -2.056 5.197 1.00 0.00 O ATOM 815 CB VAL A 54 -3.573 -2.058 2.055 1.00 0.00 C ATOM 816 CG1 VAL A 54 -5.097 -2.004 1.931 1.00 0.00 C ATOM 817 CG2 VAL A 54 -2.938 -1.120 1.028 1.00 0.00 C ATOM 0 H VAL A 54 -1.193 -2.012 2.712 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.401 -0.590 3.637 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.235 -3.077 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.391 -2.306 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.545 -2.680 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.442 -0.987 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.237 -1.423 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.271 -0.099 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.852 -1.169 1.113 1.00 0.00 H new ATOM 827 N SER A 55 -3.603 -3.793 4.495 1.00 0.00 N ATOM 828 CA SER A 55 -4.319 -4.724 5.427 1.00 0.00 C ATOM 829 C SER A 55 -3.795 -4.609 6.868 1.00 0.00 C ATOM 830 O SER A 55 -4.386 -5.147 7.784 1.00 0.00 O ATOM 831 CB SER A 55 -4.147 -6.163 4.934 1.00 0.00 C ATOM 832 OG SER A 55 -3.258 -6.861 5.797 1.00 0.00 O ATOM 0 H SER A 55 -2.894 -4.232 3.908 1.00 0.00 H new ATOM 0 HA SER A 55 -5.373 -4.447 5.434 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.113 -6.667 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.758 -6.165 3.916 1.00 0.00 H new ATOM 0 HG SER A 55 -2.481 -7.169 5.286 1.00 0.00 H new ATOM 838 N LYS A 56 -2.717 -3.908 7.095 1.00 0.00 N ATOM 839 CA LYS A 56 -2.218 -3.774 8.501 1.00 0.00 C ATOM 840 C LYS A 56 -3.264 -3.020 9.299 1.00 0.00 C ATOM 841 O LYS A 56 -3.242 -2.984 10.513 1.00 0.00 O ATOM 842 CB LYS A 56 -0.915 -2.971 8.554 1.00 0.00 C ATOM 843 CG LYS A 56 0.256 -3.917 8.821 1.00 0.00 C ATOM 844 CD LYS A 56 0.250 -4.336 10.292 1.00 0.00 C ATOM 845 CE LYS A 56 0.718 -5.787 10.410 1.00 0.00 C ATOM 846 NZ LYS A 56 1.217 -6.037 11.791 1.00 0.00 N ATOM 0 H LYS A 56 -2.166 -3.428 6.383 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.034 -4.770 8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.762 -2.443 7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.972 -2.216 9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.180 -4.796 8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.197 -3.425 8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.904 -3.683 10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.752 -4.231 10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.104 -6.465 10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.507 -5.986 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.535 -7.024 11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.013 -5.399 11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.452 -5.863 12.473 1.00 0.00 H new ATOM 860 N GLY A 57 -4.173 -2.400 8.612 1.00 0.00 N ATOM 861 CA GLY A 57 -5.227 -1.620 9.307 1.00 0.00 C ATOM 862 C GLY A 57 -4.937 -0.129 9.138 1.00 0.00 C ATOM 863 O GLY A 57 -5.760 0.705 9.440 1.00 0.00 O ATOM 0 H GLY A 57 -4.233 -2.399 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.207 -1.862 8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.252 -1.881 10.365 1.00 0.00 H new ATOM 867 N THR A 58 -3.773 0.212 8.643 1.00 0.00 N ATOM 868 CA THR A 58 -3.438 1.651 8.431 1.00 0.00 C ATOM 869 C THR A 58 -4.258 2.149 7.244 1.00 0.00 C ATOM 870 O THR A 58 -5.017 3.092 7.339 1.00 0.00 O ATOM 871 CB THR A 58 -1.946 1.789 8.111 1.00 0.00 C ATOM 872 OG1 THR A 58 -1.480 0.592 7.503 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.166 2.047 9.401 1.00 0.00 C ATOM 0 H THR A 58 -3.041 -0.446 8.377 1.00 0.00 H new ATOM 0 HA THR A 58 -3.663 2.231 9.326 1.00 0.00 H new ATOM 0 HB THR A 58 -1.797 2.625 7.427 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.835 0.153 8.096 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.105 2.145 9.171 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.523 2.967 9.864 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.313 1.214 10.088 1.00 0.00 H new ATOM 881 N LEU A 59 -4.100 1.504 6.125 1.00 0.00 N ATOM 882 CA LEU A 59 -4.843 1.882 4.906 1.00 0.00 C ATOM 883 C LEU A 59 -5.798 0.741 4.561 1.00 0.00 C ATOM 884 O LEU A 59 -5.616 0.028 3.593 1.00 0.00 O ATOM 885 CB LEU A 59 -3.806 2.088 3.811 1.00 0.00 C ATOM 886 CG LEU A 59 -4.441 2.342 2.451 1.00 0.00 C ATOM 887 CD1 LEU A 59 -4.667 3.843 2.261 1.00 0.00 C ATOM 888 CD2 LEU A 59 -3.483 1.854 1.366 1.00 0.00 C ATOM 0 H LEU A 59 -3.469 0.711 6.007 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.430 2.792 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.167 2.931 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.165 1.208 3.751 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.394 1.816 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.122 4.022 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.329 4.213 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.712 4.365 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.925 2.029 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.541 2.396 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.299 0.787 1.496 1.00 0.00 H new ATOM 900 N VAL A 60 -6.808 0.554 5.370 1.00 0.00 N ATOM 901 CA VAL A 60 -7.772 -0.550 5.126 1.00 0.00 C ATOM 902 C VAL A 60 -8.477 -0.343 3.799 1.00 0.00 C ATOM 903 O VAL A 60 -9.217 0.602 3.604 1.00 0.00 O ATOM 904 CB VAL A 60 -8.820 -0.587 6.228 1.00 0.00 C ATOM 905 CG1 VAL A 60 -9.700 -1.825 6.051 1.00 0.00 C ATOM 906 CG2 VAL A 60 -8.135 -0.643 7.592 1.00 0.00 C ATOM 0 H VAL A 60 -7.004 1.124 6.193 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.218 -1.489 5.111 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.434 0.312 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.452 -1.853 6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.194 -1.784 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.082 -2.721 6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.890 -0.669 8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.517 -1.539 7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.508 0.239 7.721 1.00 0.00 H new ATOM 916 N GLN A 61 -8.258 -1.235 2.896 1.00 0.00 N ATOM 917 CA GLN A 61 -8.908 -1.136 1.569 1.00 0.00 C ATOM 918 C GLN A 61 -10.155 -2.015 1.549 1.00 0.00 C ATOM 919 O GLN A 61 -10.794 -2.197 2.561 1.00 0.00 O ATOM 920 CB GLN A 61 -7.919 -1.591 0.486 1.00 0.00 C ATOM 921 CG GLN A 61 -7.667 -3.093 0.648 1.00 0.00 C ATOM 922 CD GLN A 61 -6.835 -3.616 -0.523 1.00 0.00 C ATOM 923 OE1 GLN A 61 -6.244 -4.675 -0.437 1.00 0.00 O ATOM 924 NE2 GLN A 61 -6.761 -2.919 -1.623 1.00 0.00 N ATOM 0 H GLN A 61 -7.648 -2.043 3.017 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.200 -0.104 1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.321 -1.380 -0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.983 -1.040 0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.147 -3.283 1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.617 -3.626 0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.256 -2.030 -1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.208 -3.263 -2.408 1.00 0.00 H new ATOM 933 N THR A 62 -10.489 -2.536 0.390 1.00 0.00 N ATOM 934 CA THR A 62 -11.695 -3.410 0.205 1.00 0.00 C ATOM 935 C THR A 62 -12.751 -2.635 -0.575 1.00 0.00 C ATOM 936 O THR A 62 -13.913 -2.990 -0.589 1.00 0.00 O ATOM 937 CB THR A 62 -12.286 -3.887 1.544 1.00 0.00 C ATOM 938 OG1 THR A 62 -13.050 -5.064 1.320 1.00 0.00 O ATOM 939 CG2 THR A 62 -13.192 -2.802 2.144 1.00 0.00 C ATOM 0 H THR A 62 -9.955 -2.385 -0.466 1.00 0.00 H new ATOM 0 HA THR A 62 -11.384 -4.299 -0.343 1.00 0.00 H new ATOM 0 HB THR A 62 -11.473 -4.093 2.240 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.660 -4.920 0.567 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.603 -3.153 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.611 -1.896 2.315 1.00 0.00 H new ATOM 0 HG23 THR A 62 -14.007 -2.585 1.453 1.00 0.00 H new ATOM 1018 N GLY A 69 -9.771 -4.298 -2.299 1.00 0.00 N ATOM 1019 CA GLY A 69 -9.189 -3.488 -3.407 1.00 0.00 C ATOM 1020 C GLY A 69 -9.783 -2.073 -3.409 1.00 0.00 C ATOM 1021 O GLY A 69 -10.967 -1.887 -3.230 1.00 0.00 O ATOM 0 HA2 GLY A 69 -8.106 -3.434 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.387 -3.973 -4.363 1.00 0.00 H new ATOM 1025 N SER A 70 -8.945 -1.088 -3.624 1.00 0.00 N ATOM 1026 CA SER A 70 -9.389 0.347 -3.668 1.00 0.00 C ATOM 1027 C SER A 70 -9.194 1.004 -2.297 1.00 0.00 C ATOM 1028 O SER A 70 -10.012 1.773 -1.836 1.00 0.00 O ATOM 1029 CB SER A 70 -10.855 0.454 -4.089 1.00 0.00 C ATOM 1030 OG SER A 70 -11.078 -0.371 -5.225 1.00 0.00 O ATOM 0 H SER A 70 -7.945 -1.220 -3.775 1.00 0.00 H new ATOM 0 HA SER A 70 -8.778 0.867 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.504 0.147 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.104 1.489 -4.322 1.00 0.00 H new ATOM 0 HG SER A 70 -11.441 -1.234 -4.936 1.00 0.00 H new ATOM 1036 N PHE A 71 -8.106 0.699 -1.652 1.00 0.00 N ATOM 1037 CA PHE A 71 -7.819 1.294 -0.304 1.00 0.00 C ATOM 1038 C PHE A 71 -8.217 2.761 -0.275 1.00 0.00 C ATOM 1039 O PHE A 71 -7.745 3.563 -1.056 1.00 0.00 O ATOM 1040 CB PHE A 71 -6.320 1.182 0.055 1.00 0.00 C ATOM 1041 CG PHE A 71 -5.588 0.570 -1.099 1.00 0.00 C ATOM 1042 CD1 PHE A 71 -5.296 1.353 -2.214 1.00 0.00 C ATOM 1043 CD2 PHE A 71 -5.273 -0.790 -1.089 1.00 0.00 C ATOM 1044 CE1 PHE A 71 -4.677 0.775 -3.314 1.00 0.00 C ATOM 1045 CE2 PHE A 71 -4.670 -1.367 -2.196 1.00 0.00 C ATOM 1046 CZ PHE A 71 -4.373 -0.583 -3.304 1.00 0.00 C ATOM 0 H PHE A 71 -7.392 0.058 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.403 0.734 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.912 2.167 0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.191 0.572 0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.550 2.403 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.499 -1.391 -0.221 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.432 1.378 -4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.432 -2.421 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.902 -1.032 -4.166 1.00 0.00 H new ATOM 1056 N ARG A 72 -9.047 3.123 0.659 1.00 0.00 N ATOM 1057 CA ARG A 72 -9.440 4.547 0.792 1.00 0.00 C ATOM 1058 C ARG A 72 -8.521 5.129 1.854 1.00 0.00 C ATOM 1059 O ARG A 72 -8.091 6.262 1.782 1.00 0.00 O ATOM 1060 CB ARG A 72 -10.903 4.644 1.234 1.00 0.00 C ATOM 1061 CG ARG A 72 -11.791 3.945 0.200 1.00 0.00 C ATOM 1062 CD ARG A 72 -12.802 3.042 0.912 1.00 0.00 C ATOM 1063 NE ARG A 72 -12.119 2.282 1.996 1.00 0.00 N ATOM 1064 CZ ARG A 72 -12.634 2.252 3.195 1.00 0.00 C ATOM 1065 NH1 ARG A 72 -13.825 1.750 3.381 1.00 0.00 N ATOM 1066 NH2 ARG A 72 -11.958 2.722 4.207 1.00 0.00 N ATOM 0 H ARG A 72 -9.471 2.491 1.338 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.350 5.087 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.031 4.181 2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.196 5.689 1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.314 4.686 -0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.177 3.354 -0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.610 3.643 1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.253 2.352 0.199 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.250 1.785 1.801 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.352 1.382 2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.228 1.726 4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.027 3.113 4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.360 2.699 5.144 1.00 0.00 H new ATOM 1080 N LEU A 73 -8.212 4.300 2.820 1.00 0.00 N ATOM 1081 CA LEU A 73 -7.295 4.656 3.942 1.00 0.00 C ATOM 1082 C LEU A 73 -8.074 4.651 5.238 1.00 0.00 C ATOM 1083 O LEU A 73 -8.771 5.591 5.568 1.00 0.00 O ATOM 1084 CB LEU A 73 -6.621 6.019 3.752 1.00 0.00 C ATOM 1085 CG LEU A 73 -5.590 6.277 4.878 1.00 0.00 C ATOM 1086 CD1 LEU A 73 -5.110 4.974 5.524 1.00 0.00 C ATOM 1087 CD2 LEU A 73 -4.366 6.962 4.296 1.00 0.00 C ATOM 0 H LEU A 73 -8.576 3.349 2.876 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.500 3.910 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.125 6.054 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.374 6.807 3.753 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.084 6.894 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.388 5.201 6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.961 4.447 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.639 4.345 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.640 7.144 5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.919 6.323 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.659 7.911 3.847 1.00 0.00 H new ATOM 1099 N SER A 74 -7.949 3.598 5.986 1.00 0.00 N ATOM 1100 CA SER A 74 -8.669 3.538 7.267 1.00 0.00 C ATOM 1101 C SER A 74 -7.717 3.104 8.376 1.00 0.00 C ATOM 1102 O SER A 74 -6.952 2.182 8.215 1.00 0.00 O ATOM 1103 CB SER A 74 -9.836 2.555 7.166 1.00 0.00 C ATOM 1104 OG SER A 74 -11.024 3.188 7.623 1.00 0.00 O ATOM 0 H SER A 74 -7.380 2.782 5.762 1.00 0.00 H new ATOM 0 HA SER A 74 -9.061 4.528 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.960 2.224 6.135 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.631 1.666 7.763 1.00 0.00 H new ATOM 0 HG SER A 74 -11.774 2.561 7.558 1.00 0.00 H new ATOM 1110 N LYS A 75 -7.760 3.766 9.502 1.00 0.00 N ATOM 1111 CA LYS A 75 -6.855 3.392 10.625 1.00 0.00 C ATOM 1112 C LYS A 75 -7.653 3.346 11.930 1.00 0.00 C ATOM 1113 O LYS A 75 -7.034 3.255 12.977 1.00 0.00 O ATOM 1114 CB LYS A 75 -5.736 4.429 10.752 1.00 0.00 C ATOM 1115 CG LYS A 75 -6.346 5.824 10.895 1.00 0.00 C ATOM 1116 CD LYS A 75 -5.316 6.876 10.480 1.00 0.00 C ATOM 1117 CE LYS A 75 -5.328 7.030 8.958 1.00 0.00 C ATOM 1118 NZ LYS A 75 -4.095 7.747 8.523 1.00 0.00 N ATOM 1119 OXT LYS A 75 -8.870 3.400 11.860 1.00 0.00 O ATOM 0 H LYS A 75 -8.384 4.550 9.691 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.421 2.412 10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.113 4.203 11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.090 4.391 9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.238 5.908 10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.658 5.992 11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.544 7.830 10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.323 6.581 10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.379 6.050 8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.213 7.583 8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.102 7.853 7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.065 8.687 8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.257 7.202 8.810 1.00 0.00 H new