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 USER MOD Single : A 7 THR OG1 : rot -96:sc= -0.12! USER MOD Single : A 11 THR OG1 : rot 117:sc= -6.19! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -62:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.373 (180deg=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -72:sc= 0.787 USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= -1.1 (180deg=-2.53) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 30:sc= -9.29! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0604 K(o=-0.06,f=-3.3!) USER MOD Single : A 43 ASN : amide:sc= -3.37! C(o=-3.4!,f=-6.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= -0.379 (180deg=-1.89!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -120:sc= 0.999 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 70:sc= -2.13! USER MOD Single : A 61 GLN : amide:sc= -3.01! K(o=-3!,f=-0.91) USER MOD Single : A 62 THR OG1 : rot -88:sc= 0.328 USER MOD Single : A 70 SER OG : rot 66:sc= -0.88! USER MOD Single : A 74 SER OG : rot 46:sc= 0.139 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 4 11.780 -2.066 9.209 1.00 0.00 N ATOM 38 CA PRO A 4 12.457 -0.752 9.250 1.00 0.00 C ATOM 39 C PRO A 4 12.095 0.070 8.013 1.00 0.00 C ATOM 40 O PRO A 4 12.514 1.200 7.860 1.00 0.00 O ATOM 41 CB PRO A 4 13.948 -1.089 9.264 1.00 0.00 C ATOM 42 CG PRO A 4 14.075 -2.502 8.664 1.00 0.00 C ATOM 43 CD PRO A 4 12.691 -3.160 8.795 1.00 0.00 C ATOM 0 HA PRO A 4 12.164 -0.156 10.114 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.516 -0.365 8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.344 -1.060 10.279 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.384 -2.453 7.620 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.831 -3.081 9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.373 -3.601 7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.704 -3.962 9.533 1.00 0.00 H new ATOM 51 N SER A 5 11.307 -0.484 7.138 1.00 0.00 N ATOM 52 CA SER A 5 10.901 0.265 5.922 1.00 0.00 C ATOM 53 C SER A 5 9.479 -0.137 5.552 1.00 0.00 C ATOM 54 O SER A 5 8.552 0.604 5.758 1.00 0.00 O ATOM 55 CB SER A 5 11.848 -0.051 4.768 1.00 0.00 C ATOM 56 OG SER A 5 12.957 -0.794 5.257 1.00 0.00 O ATOM 0 H SER A 5 10.926 -1.427 7.214 1.00 0.00 H new ATOM 0 HA SER A 5 10.944 1.336 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.325 -0.620 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.192 0.872 4.302 1.00 0.00 H new ATOM 0 HG SER A 5 13.565 -0.999 4.517 1.00 0.00 H new ATOM 62 N VAL A 6 9.296 -1.307 5.017 1.00 0.00 N ATOM 63 CA VAL A 6 7.925 -1.749 4.655 1.00 0.00 C ATOM 64 C VAL A 6 7.029 -1.533 5.870 1.00 0.00 C ATOM 65 O VAL A 6 6.970 -2.333 6.778 1.00 0.00 O ATOM 66 CB VAL A 6 7.997 -3.216 4.228 1.00 0.00 C ATOM 67 CG1 VAL A 6 6.801 -4.034 4.734 1.00 0.00 C ATOM 68 CG2 VAL A 6 8.021 -3.265 2.711 1.00 0.00 C ATOM 0 H VAL A 6 10.037 -1.978 4.814 1.00 0.00 H new ATOM 0 HA VAL A 6 7.507 -1.181 3.824 1.00 0.00 H new ATOM 0 HB VAL A 6 8.897 -3.653 4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.901 -5.068 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.773 -4.003 5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.878 -3.613 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.072 -4.303 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.115 -2.804 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.893 -2.724 2.343 1.00 0.00 H new ATOM 78 N THR A 7 6.373 -0.419 5.856 1.00 0.00 N ATOM 79 CA THR A 7 5.467 0.030 6.949 1.00 0.00 C ATOM 80 C THR A 7 5.640 1.541 6.979 1.00 0.00 C ATOM 81 O THR A 7 4.724 2.297 6.722 1.00 0.00 O ATOM 82 CB THR A 7 5.862 -0.576 8.302 1.00 0.00 C ATOM 83 OG1 THR A 7 7.273 -0.734 8.366 1.00 0.00 O ATOM 84 CG2 THR A 7 5.170 -1.933 8.473 1.00 0.00 C ATOM 0 H THR A 7 6.430 0.244 5.083 1.00 0.00 H new ATOM 0 HA THR A 7 4.438 -0.282 6.773 1.00 0.00 H new ATOM 0 HB THR A 7 5.548 0.090 9.105 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.512 -1.649 8.108 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.449 -2.365 9.434 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.089 -1.797 8.437 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.479 -2.603 7.670 1.00 0.00 H new ATOM 92 N GLU A 8 6.850 1.979 7.210 1.00 0.00 N ATOM 93 CA GLU A 8 7.142 3.434 7.165 1.00 0.00 C ATOM 94 C GLU A 8 7.249 3.832 5.683 1.00 0.00 C ATOM 95 O GLU A 8 7.338 4.993 5.338 1.00 0.00 O ATOM 96 CB GLU A 8 8.478 3.703 7.862 1.00 0.00 C ATOM 97 CG GLU A 8 8.226 4.180 9.292 1.00 0.00 C ATOM 98 CD GLU A 8 7.497 5.524 9.261 1.00 0.00 C ATOM 99 OE1 GLU A 8 8.163 6.535 9.109 1.00 0.00 O ATOM 100 OE2 GLU A 8 6.283 5.521 9.391 1.00 0.00 O ATOM 0 H GLU A 8 7.650 1.385 7.429 1.00 0.00 H new ATOM 0 HA GLU A 8 6.361 4.006 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.083 2.796 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.041 4.456 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.631 3.444 9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.171 4.279 9.825 1.00 0.00 H new ATOM 107 N LEU A 9 7.240 2.849 4.809 1.00 0.00 N ATOM 108 CA LEU A 9 7.339 3.108 3.345 1.00 0.00 C ATOM 109 C LEU A 9 5.936 3.175 2.745 1.00 0.00 C ATOM 110 O LEU A 9 5.587 4.122 2.070 1.00 0.00 O ATOM 111 CB LEU A 9 8.095 1.954 2.664 1.00 0.00 C ATOM 112 CG LEU A 9 9.554 1.836 3.152 1.00 0.00 C ATOM 113 CD1 LEU A 9 10.495 2.097 1.980 1.00 0.00 C ATOM 114 CD2 LEU A 9 9.861 2.836 4.277 1.00 0.00 C ATOM 0 H LEU A 9 7.167 1.863 5.060 1.00 0.00 H new ATOM 0 HA LEU A 9 7.867 4.049 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.573 1.017 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.087 2.105 1.585 1.00 0.00 H new ATOM 0 HG LEU A 9 9.698 0.830 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.528 2.015 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.311 1.364 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.319 3.099 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.898 2.721 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.703 3.852 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.201 2.646 5.123 1.00 0.00 H new ATOM 126 N ILE A 10 5.119 2.177 2.979 1.00 0.00 N ATOM 127 CA ILE A 10 3.752 2.216 2.409 1.00 0.00 C ATOM 128 C ILE A 10 3.014 3.383 3.051 1.00 0.00 C ATOM 129 O ILE A 10 2.536 4.284 2.390 1.00 0.00 O ATOM 130 CB ILE A 10 2.985 0.926 2.719 1.00 0.00 C ATOM 131 CG1 ILE A 10 3.561 -0.246 1.895 1.00 0.00 C ATOM 132 CG2 ILE A 10 1.510 1.146 2.374 1.00 0.00 C ATOM 133 CD1 ILE A 10 2.723 -0.502 0.625 1.00 0.00 C ATOM 0 H ILE A 10 5.342 1.351 3.534 1.00 0.00 H new ATOM 0 HA ILE A 10 3.819 2.325 1.327 1.00 0.00 H new ATOM 0 HB ILE A 10 3.084 0.677 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.591 -0.025 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.583 -1.148 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.947 0.238 2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.115 1.967 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.416 1.390 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.154 -1.333 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.699 -0.747 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.723 0.393 0.002 1.00 0.00 H new ATOM 145 N THR A 11 2.925 3.360 4.351 1.00 0.00 N ATOM 146 CA THR A 11 2.228 4.446 5.080 1.00 0.00 C ATOM 147 C THR A 11 2.648 5.801 4.504 1.00 0.00 C ATOM 148 O THR A 11 1.902 6.759 4.538 1.00 0.00 O ATOM 149 CB THR A 11 2.608 4.371 6.558 1.00 0.00 C ATOM 150 OG1 THR A 11 2.416 3.043 7.026 1.00 0.00 O ATOM 151 CG2 THR A 11 1.727 5.326 7.359 1.00 0.00 C ATOM 0 H THR A 11 3.311 2.625 4.943 1.00 0.00 H new ATOM 0 HA THR A 11 1.149 4.334 4.972 1.00 0.00 H new ATOM 0 HB THR A 11 3.654 4.654 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.278 2.664 7.299 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.998 5.273 8.414 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.872 6.344 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.681 5.044 7.238 1.00 0.00 H new ATOM 159 N LYS A 12 3.834 5.890 3.965 1.00 0.00 N ATOM 160 CA LYS A 12 4.283 7.184 3.380 1.00 0.00 C ATOM 161 C LYS A 12 3.371 7.528 2.202 1.00 0.00 C ATOM 162 O LYS A 12 2.747 8.570 2.170 1.00 0.00 O ATOM 163 CB LYS A 12 5.729 7.056 2.894 1.00 0.00 C ATOM 164 CG LYS A 12 6.662 7.785 3.864 1.00 0.00 C ATOM 165 CD LYS A 12 7.210 9.046 3.194 1.00 0.00 C ATOM 166 CE LYS A 12 7.610 10.061 4.266 1.00 0.00 C ATOM 167 NZ LYS A 12 9.090 10.049 4.436 1.00 0.00 N ATOM 0 H LYS A 12 4.508 5.126 3.905 1.00 0.00 H new ATOM 0 HA LYS A 12 4.233 7.971 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.009 6.005 2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.826 7.478 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.124 8.049 4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.483 7.130 4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.072 8.796 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.457 9.476 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.274 11.058 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.123 9.819 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.361 10.739 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.398 9.099 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.545 10.300 3.535 1.00 0.00 H new ATOM 181 N ALA A 13 3.277 6.649 1.242 1.00 0.00 N ATOM 182 CA ALA A 13 2.390 6.912 0.073 1.00 0.00 C ATOM 183 C ALA A 13 0.931 6.876 0.534 1.00 0.00 C ATOM 184 O ALA A 13 0.026 7.203 -0.208 1.00 0.00 O ATOM 185 CB ALA A 13 2.611 5.831 -0.989 1.00 0.00 C ATOM 0 H ALA A 13 3.776 5.760 1.216 1.00 0.00 H new ATOM 0 HA ALA A 13 2.621 7.890 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.963 6.023 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.652 5.846 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.376 4.854 -0.568 1.00 0.00 H new ATOM 191 N VAL A 14 0.699 6.472 1.755 1.00 0.00 N ATOM 192 CA VAL A 14 -0.695 6.404 2.272 1.00 0.00 C ATOM 193 C VAL A 14 -1.477 7.646 1.827 1.00 0.00 C ATOM 194 O VAL A 14 -2.624 7.562 1.437 1.00 0.00 O ATOM 195 CB VAL A 14 -0.657 6.321 3.801 1.00 0.00 C ATOM 196 CG1 VAL A 14 -0.481 7.718 4.408 1.00 0.00 C ATOM 197 CG2 VAL A 14 -1.960 5.707 4.309 1.00 0.00 C ATOM 0 H VAL A 14 1.420 6.185 2.418 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.193 5.520 1.874 1.00 0.00 H new ATOM 0 HB VAL A 14 0.187 5.698 4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.456 7.642 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.453 8.154 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.315 8.353 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.934 5.647 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.800 6.329 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.077 4.706 3.893 1.00 0.00 H new ATOM 207 N SER A 15 -0.863 8.797 1.883 1.00 0.00 N ATOM 208 CA SER A 15 -1.571 10.040 1.464 1.00 0.00 C ATOM 209 C SER A 15 -0.861 10.650 0.253 1.00 0.00 C ATOM 210 O SER A 15 -1.490 11.151 -0.657 1.00 0.00 O ATOM 211 CB SER A 15 -1.565 11.046 2.616 1.00 0.00 C ATOM 212 OG SER A 15 -2.737 10.867 3.401 1.00 0.00 O ATOM 0 H SER A 15 0.097 8.930 2.200 1.00 0.00 H new ATOM 0 HA SER A 15 -2.600 9.797 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.676 10.907 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.526 12.063 2.226 1.00 0.00 H new ATOM 0 HG SER A 15 -2.736 11.509 4.141 1.00 0.00 H new ATOM 218 N ALA A 16 0.443 10.611 0.235 1.00 0.00 N ATOM 219 CA ALA A 16 1.188 11.189 -0.919 1.00 0.00 C ATOM 220 C ALA A 16 0.514 10.759 -2.223 1.00 0.00 C ATOM 221 O ALA A 16 0.540 11.466 -3.211 1.00 0.00 O ATOM 222 CB ALA A 16 2.632 10.684 -0.901 1.00 0.00 C ATOM 0 H ALA A 16 1.024 10.205 0.968 1.00 0.00 H new ATOM 0 HA ALA A 16 1.184 12.277 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.176 11.107 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.112 10.988 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.638 9.596 -0.974 1.00 0.00 H new ATOM 228 N SER A 17 -0.091 9.603 -2.233 1.00 0.00 N ATOM 229 CA SER A 17 -0.769 9.126 -3.471 1.00 0.00 C ATOM 230 C SER A 17 -2.260 8.932 -3.189 1.00 0.00 C ATOM 231 O SER A 17 -2.804 7.863 -3.382 1.00 0.00 O ATOM 232 CB SER A 17 -0.155 7.796 -3.908 1.00 0.00 C ATOM 233 OG SER A 17 -0.337 7.632 -5.308 1.00 0.00 O ATOM 0 H SER A 17 -0.145 8.968 -1.437 1.00 0.00 H new ATOM 0 HA SER A 17 -0.641 9.862 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.907 7.775 -3.663 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.623 6.972 -3.370 1.00 0.00 H new ATOM 0 HG SER A 17 -1.295 7.608 -5.513 1.00 0.00 H new ATOM 239 N LYS A 18 -2.925 9.958 -2.733 1.00 0.00 N ATOM 240 CA LYS A 18 -4.380 9.832 -2.438 1.00 0.00 C ATOM 241 C LYS A 18 -5.169 9.834 -3.748 1.00 0.00 C ATOM 242 O LYS A 18 -5.713 10.842 -4.155 1.00 0.00 O ATOM 243 CB LYS A 18 -4.829 11.009 -1.568 1.00 0.00 C ATOM 244 CG LYS A 18 -4.429 12.324 -2.241 1.00 0.00 C ATOM 245 CD LYS A 18 -3.742 13.232 -1.219 1.00 0.00 C ATOM 246 CE LYS A 18 -4.787 14.119 -0.539 1.00 0.00 C ATOM 247 NZ LYS A 18 -5.714 13.270 0.262 1.00 0.00 N ATOM 0 H LYS A 18 -2.523 10.878 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.563 8.898 -1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.909 10.976 -1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.372 10.940 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.758 12.127 -3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.310 12.819 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.221 12.630 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.991 13.849 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.296 14.849 0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.346 14.680 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.194 13.856 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.422 12.840 -0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.174 12.520 0.738 1.00 0.00 H new ATOM 261 N GLU A 19 -5.237 8.713 -4.412 1.00 0.00 N ATOM 262 CA GLU A 19 -5.993 8.652 -5.695 1.00 0.00 C ATOM 263 C GLU A 19 -7.477 8.905 -5.423 1.00 0.00 C ATOM 264 O GLU A 19 -7.880 9.146 -4.302 1.00 0.00 O ATOM 265 CB GLU A 19 -5.818 7.267 -6.324 1.00 0.00 C ATOM 266 CG GLU A 19 -4.798 7.346 -7.461 1.00 0.00 C ATOM 267 CD GLU A 19 -5.063 6.221 -8.463 1.00 0.00 C ATOM 268 OE1 GLU A 19 -6.046 6.312 -9.179 1.00 0.00 O ATOM 269 OE2 GLU A 19 -4.278 5.287 -8.498 1.00 0.00 O ATOM 0 H GLU A 19 -4.802 7.837 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.614 9.412 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.484 6.554 -5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.774 6.905 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.866 8.314 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.787 7.262 -7.063 1.00 0.00 H new ATOM 276 N ARG A 20 -8.295 8.850 -6.439 1.00 0.00 N ATOM 277 CA ARG A 20 -9.752 9.085 -6.235 1.00 0.00 C ATOM 278 C ARG A 20 -10.410 7.803 -5.717 1.00 0.00 C ATOM 279 O ARG A 20 -11.615 7.722 -5.587 1.00 0.00 O ATOM 280 CB ARG A 20 -10.395 9.485 -7.565 1.00 0.00 C ATOM 281 CG ARG A 20 -11.067 10.852 -7.417 1.00 0.00 C ATOM 282 CD ARG A 20 -12.562 10.660 -7.156 1.00 0.00 C ATOM 283 NE ARG A 20 -12.805 10.585 -5.688 1.00 0.00 N ATOM 284 CZ ARG A 20 -14.008 10.765 -5.216 1.00 0.00 C ATOM 285 NH1 ARG A 20 -14.936 9.874 -5.434 1.00 0.00 N ATOM 286 NH2 ARG A 20 -14.284 11.837 -4.524 1.00 0.00 N ATOM 0 H ARG A 20 -8.017 8.653 -7.400 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.892 9.884 -5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.639 9.523 -8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.129 8.738 -7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.612 11.406 -6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.918 11.442 -8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.126 11.487 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.912 9.749 -7.640 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.031 10.393 -5.052 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.721 9.036 -5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.876 10.016 -5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.559 12.534 -4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.224 11.978 -4.155 1.00 0.00 H new ATOM 300 N LYS A 21 -9.627 6.801 -5.421 1.00 0.00 N ATOM 301 CA LYS A 21 -10.208 5.527 -4.912 1.00 0.00 C ATOM 302 C LYS A 21 -9.087 4.505 -4.703 1.00 0.00 C ATOM 303 O LYS A 21 -9.108 3.729 -3.769 1.00 0.00 O ATOM 304 CB LYS A 21 -11.216 4.983 -5.928 1.00 0.00 C ATOM 305 CG LYS A 21 -10.519 4.760 -7.271 1.00 0.00 C ATOM 306 CD LYS A 21 -11.514 4.996 -8.409 1.00 0.00 C ATOM 307 CE LYS A 21 -10.833 5.791 -9.525 1.00 0.00 C ATOM 308 NZ LYS A 21 -11.700 5.788 -10.737 1.00 0.00 N ATOM 0 H LYS A 21 -8.611 6.810 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.714 5.710 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.642 4.047 -5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.042 5.684 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.671 5.438 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.124 3.745 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.874 4.042 -8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.384 5.539 -8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.651 6.815 -9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.862 5.353 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.238 6.328 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.852 4.809 -11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.616 6.225 -10.510 1.00 0.00 H new ATOM 322 N GLY A 22 -8.107 4.499 -5.566 1.00 0.00 N ATOM 323 CA GLY A 22 -6.986 3.528 -5.415 1.00 0.00 C ATOM 324 C GLY A 22 -7.283 2.278 -6.243 1.00 0.00 C ATOM 325 O GLY A 22 -8.283 2.201 -6.928 1.00 0.00 O ATOM 0 H GLY A 22 -8.034 5.124 -6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.051 3.981 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.860 3.261 -4.366 1.00 0.00 H new ATOM 329 N LEU A 23 -6.424 1.298 -6.190 1.00 0.00 N ATOM 330 CA LEU A 23 -6.669 0.061 -6.980 1.00 0.00 C ATOM 331 C LEU A 23 -6.337 -1.165 -6.127 1.00 0.00 C ATOM 332 O LEU A 23 -6.192 -1.074 -4.924 1.00 0.00 O ATOM 333 CB LEU A 23 -5.808 0.065 -8.252 1.00 0.00 C ATOM 334 CG LEU A 23 -4.554 0.925 -8.059 1.00 0.00 C ATOM 335 CD1 LEU A 23 -3.602 0.679 -9.231 1.00 0.00 C ATOM 336 CD2 LEU A 23 -4.938 2.406 -8.035 1.00 0.00 C ATOM 0 H LEU A 23 -5.567 1.301 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.719 0.025 -7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.519 -0.955 -8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.391 0.447 -9.090 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.074 0.661 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.705 1.286 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.326 -0.375 -9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.096 0.951 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.042 3.012 -7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.416 2.673 -8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.630 2.589 -7.213 1.00 0.00 H new ATOM 348 N SER A 24 -6.235 -2.314 -6.734 1.00 0.00 N ATOM 349 CA SER A 24 -5.935 -3.546 -5.952 1.00 0.00 C ATOM 350 C SER A 24 -4.433 -3.651 -5.669 1.00 0.00 C ATOM 351 O SER A 24 -3.721 -4.386 -6.323 1.00 0.00 O ATOM 352 CB SER A 24 -6.386 -4.772 -6.747 1.00 0.00 C ATOM 353 OG SER A 24 -5.518 -5.861 -6.465 1.00 0.00 O ATOM 0 H SER A 24 -6.346 -2.454 -7.738 1.00 0.00 H new ATOM 0 HA SER A 24 -6.469 -3.498 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.411 -5.032 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.376 -4.551 -7.814 1.00 0.00 H new ATOM 0 HG SER A 24 -4.647 -5.703 -6.886 1.00 0.00 H new ATOM 359 N LEU A 25 -3.949 -2.944 -4.682 1.00 0.00 N ATOM 360 CA LEU A 25 -2.500 -3.037 -4.347 1.00 0.00 C ATOM 361 C LEU A 25 -1.663 -2.747 -5.588 1.00 0.00 C ATOM 362 O LEU A 25 -0.898 -3.577 -6.036 1.00 0.00 O ATOM 363 CB LEU A 25 -2.200 -4.463 -3.883 1.00 0.00 C ATOM 364 CG LEU A 25 -3.277 -4.960 -2.899 1.00 0.00 C ATOM 365 CD1 LEU A 25 -3.839 -3.798 -2.072 1.00 0.00 C ATOM 366 CD2 LEU A 25 -4.416 -5.619 -3.679 1.00 0.00 C ATOM 0 H LEU A 25 -4.492 -2.309 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.259 -2.315 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.155 -5.128 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.221 -4.495 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.819 -5.682 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.597 -4.174 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.033 -3.333 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.287 -3.060 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.178 -5.971 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.856 -4.893 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.027 -6.463 -4.248 1.00 0.00 H new ATOM 378 N ALA A 26 -1.787 -1.576 -6.138 1.00 0.00 N ATOM 379 CA ALA A 26 -0.970 -1.238 -7.338 1.00 0.00 C ATOM 380 C ALA A 26 -0.930 0.278 -7.543 1.00 0.00 C ATOM 381 O ALA A 26 -0.605 0.764 -8.608 1.00 0.00 O ATOM 382 CB ALA A 26 -1.562 -1.915 -8.575 1.00 0.00 C ATOM 0 H ALA A 26 -2.414 -0.840 -5.813 1.00 0.00 H new ATOM 0 HA ALA A 26 0.047 -1.597 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.961 -1.665 -9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.563 -2.996 -8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.584 -1.568 -8.726 1.00 0.00 H new ATOM 388 N ALA A 27 -1.229 1.026 -6.523 1.00 0.00 N ATOM 389 CA ALA A 27 -1.183 2.508 -6.632 1.00 0.00 C ATOM 390 C ALA A 27 -0.407 3.014 -5.429 1.00 0.00 C ATOM 391 O ALA A 27 0.562 3.736 -5.546 1.00 0.00 O ATOM 392 CB ALA A 27 -2.599 3.074 -6.606 1.00 0.00 C ATOM 0 H ALA A 27 -1.506 0.671 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.710 2.817 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.558 4.160 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.168 2.669 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.084 2.797 -5.670 1.00 0.00 H new ATOM 398 N LEU A 28 -0.823 2.605 -4.269 1.00 0.00 N ATOM 399 CA LEU A 28 -0.112 3.011 -3.033 1.00 0.00 C ATOM 400 C LEU A 28 1.338 2.559 -3.138 1.00 0.00 C ATOM 401 O LEU A 28 2.250 3.355 -3.189 1.00 0.00 O ATOM 402 CB LEU A 28 -0.772 2.315 -1.825 1.00 0.00 C ATOM 403 CG LEU A 28 0.252 2.075 -0.692 1.00 0.00 C ATOM 404 CD1 LEU A 28 0.478 3.367 0.087 1.00 0.00 C ATOM 405 CD2 LEU A 28 -0.281 1.001 0.244 1.00 0.00 C ATOM 0 H LEU A 28 -1.632 2.002 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.160 4.093 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.593 2.927 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.201 1.363 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 28 1.199 1.751 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.201 3.190 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.860 4.135 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.465 3.700 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.437 0.828 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.229 1.328 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.434 0.076 -0.313 1.00 0.00 H new ATOM 417 N LYS A 29 1.543 1.271 -3.124 1.00 0.00 N ATOM 418 CA LYS A 29 2.926 0.736 -3.175 1.00 0.00 C ATOM 419 C LYS A 29 3.527 1.008 -4.559 1.00 0.00 C ATOM 420 O LYS A 29 4.724 1.167 -4.691 1.00 0.00 O ATOM 421 CB LYS A 29 2.927 -0.768 -2.835 1.00 0.00 C ATOM 422 CG LYS A 29 1.717 -1.101 -1.927 1.00 0.00 C ATOM 423 CD LYS A 29 0.576 -1.746 -2.740 1.00 0.00 C ATOM 424 CE LYS A 29 0.665 -1.386 -4.231 1.00 0.00 C ATOM 425 NZ LYS A 29 1.248 -2.540 -4.978 1.00 0.00 N ATOM 0 H LYS A 29 0.807 0.566 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 29 3.545 1.238 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.879 -1.357 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.856 -1.036 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.030 -1.778 -1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.357 -0.191 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.614 -2.829 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.384 -1.417 -2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.325 -1.148 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.283 -0.499 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.531 -2.230 -5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.081 -2.898 -4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.539 -3.296 -5.057 1.00 0.00 H new ATOM 439 N LYS A 30 2.717 1.124 -5.590 1.00 0.00 N ATOM 440 CA LYS A 30 3.292 1.449 -6.926 1.00 0.00 C ATOM 441 C LYS A 30 3.810 2.885 -6.848 1.00 0.00 C ATOM 442 O LYS A 30 4.674 3.301 -7.595 1.00 0.00 O ATOM 443 CB LYS A 30 2.214 1.300 -8.020 1.00 0.00 C ATOM 444 CG LYS A 30 1.539 2.645 -8.326 1.00 0.00 C ATOM 445 CD LYS A 30 2.458 3.492 -9.211 1.00 0.00 C ATOM 446 CE LYS A 30 1.663 4.049 -10.393 1.00 0.00 C ATOM 447 NZ LYS A 30 1.977 3.260 -11.618 1.00 0.00 N ATOM 0 H LYS A 30 1.704 1.009 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 30 4.103 0.769 -7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.667 0.903 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.463 0.579 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.586 2.479 -8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.322 3.174 -7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.886 4.309 -8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.290 2.887 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.595 4.002 -10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.911 5.099 -10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.437 3.638 -12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.995 3.326 -11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.719 2.264 -11.465 1.00 0.00 H new ATOM 461 N ALA A 31 3.278 3.633 -5.919 1.00 0.00 N ATOM 462 CA ALA A 31 3.704 5.040 -5.727 1.00 0.00 C ATOM 463 C ALA A 31 4.595 5.115 -4.497 1.00 0.00 C ATOM 464 O ALA A 31 5.224 6.121 -4.233 1.00 0.00 O ATOM 465 CB ALA A 31 2.472 5.903 -5.481 1.00 0.00 C ATOM 0 H ALA A 31 2.552 3.317 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 31 4.239 5.390 -6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.777 6.940 -5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.803 5.836 -6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.954 5.551 -4.589 1.00 0.00 H new ATOM 471 N LEU A 32 4.648 4.061 -3.732 1.00 0.00 N ATOM 472 CA LEU A 32 5.491 4.093 -2.521 1.00 0.00 C ATOM 473 C LEU A 32 6.930 3.881 -2.927 1.00 0.00 C ATOM 474 O LEU A 32 7.828 4.111 -2.141 1.00 0.00 O ATOM 475 CB LEU A 32 4.967 3.073 -1.478 1.00 0.00 C ATOM 476 CG LEU A 32 5.678 1.737 -1.518 1.00 0.00 C ATOM 477 CD1 LEU A 32 7.124 1.926 -1.108 1.00 0.00 C ATOM 478 CD2 LEU A 32 5.036 0.770 -0.528 1.00 0.00 C ATOM 0 H LEU A 32 4.146 3.189 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 32 5.439 5.064 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.073 3.500 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.902 2.912 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 32 5.609 1.338 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.639 0.966 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.610 2.618 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.166 2.331 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.556 -0.187 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.105 1.181 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.988 0.624 -0.789 1.00 0.00 H new ATOM 490 N ALA A 33 7.166 3.505 -4.166 1.00 0.00 N ATOM 491 CA ALA A 33 8.570 3.355 -4.645 1.00 0.00 C ATOM 492 C ALA A 33 9.433 4.432 -3.971 1.00 0.00 C ATOM 493 O ALA A 33 10.599 4.233 -3.698 1.00 0.00 O ATOM 494 CB ALA A 33 8.610 3.559 -6.162 1.00 0.00 C ATOM 0 H ALA A 33 6.446 3.298 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 33 8.946 2.362 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.635 3.450 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.978 2.815 -6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.246 4.557 -6.405 1.00 0.00 H new ATOM 500 N ALA A 34 8.842 5.571 -3.677 1.00 0.00 N ATOM 501 CA ALA A 34 9.603 6.661 -3.003 1.00 0.00 C ATOM 502 C ALA A 34 10.947 6.782 -3.692 1.00 0.00 C ATOM 503 O ALA A 34 11.942 7.156 -3.102 1.00 0.00 O ATOM 504 CB ALA A 34 9.808 6.314 -1.525 1.00 0.00 C ATOM 0 H ALA A 34 7.865 5.786 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 34 9.056 7.602 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.365 7.114 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.838 6.199 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.367 5.382 -1.444 1.00 0.00 H new ATOM 510 N GLY A 35 10.975 6.443 -4.942 1.00 0.00 N ATOM 511 CA GLY A 35 12.256 6.503 -5.703 1.00 0.00 C ATOM 512 C GLY A 35 13.155 5.362 -5.223 1.00 0.00 C ATOM 513 O GLY A 35 14.310 5.554 -4.898 1.00 0.00 O ATOM 0 H GLY A 35 10.167 6.125 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.067 6.413 -6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.746 7.464 -5.546 1.00 0.00 H new ATOM 517 N GLY A 36 12.617 4.176 -5.172 1.00 0.00 N ATOM 518 CA GLY A 36 13.403 2.997 -4.709 1.00 0.00 C ATOM 519 C GLY A 36 12.511 1.759 -4.806 1.00 0.00 C ATOM 520 O GLY A 36 12.643 0.962 -5.714 1.00 0.00 O ATOM 0 H GLY A 36 11.653 3.970 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.296 2.871 -5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.739 3.144 -3.683 1.00 0.00 H new ATOM 524 N TYR A 37 11.583 1.603 -3.894 1.00 0.00 N ATOM 525 CA TYR A 37 10.667 0.429 -3.968 1.00 0.00 C ATOM 526 C TYR A 37 10.180 0.323 -5.405 1.00 0.00 C ATOM 527 O TYR A 37 9.829 1.316 -6.006 1.00 0.00 O ATOM 528 CB TYR A 37 9.469 0.648 -3.023 1.00 0.00 C ATOM 529 CG TYR A 37 9.695 -0.152 -1.774 1.00 0.00 C ATOM 530 CD1 TYR A 37 10.991 -0.317 -1.282 1.00 0.00 C ATOM 531 CD2 TYR A 37 8.615 -0.732 -1.117 1.00 0.00 C ATOM 532 CE1 TYR A 37 11.208 -1.066 -0.124 1.00 0.00 C ATOM 533 CE2 TYR A 37 8.825 -1.481 0.040 1.00 0.00 C ATOM 534 CZ TYR A 37 10.125 -1.651 0.540 1.00 0.00 C ATOM 535 OH TYR A 37 10.338 -2.389 1.685 1.00 0.00 O ATOM 0 H TYR A 37 11.423 2.234 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 37 11.180 -0.485 -3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.366 1.706 -2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 37 8.543 0.340 -3.508 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.826 0.135 -1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.615 -0.602 -1.503 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.210 -1.193 0.258 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.987 -1.931 0.552 1.00 0.00 H new ATOM 0 HH TYR A 37 11.125 -2.043 2.155 1.00 0.00 H new ATOM 545 N ASP A 38 10.147 -0.842 -5.992 1.00 0.00 N ATOM 546 CA ASP A 38 9.675 -0.889 -7.381 1.00 0.00 C ATOM 547 C ASP A 38 8.427 -1.737 -7.436 1.00 0.00 C ATOM 548 O ASP A 38 7.861 -1.947 -8.491 1.00 0.00 O ATOM 549 CB ASP A 38 10.770 -1.461 -8.302 1.00 0.00 C ATOM 550 CG ASP A 38 10.930 -0.565 -9.530 1.00 0.00 C ATOM 551 OD1 ASP A 38 10.006 0.176 -9.822 1.00 0.00 O ATOM 552 OD2 ASP A 38 11.974 -0.633 -10.158 1.00 0.00 O ATOM 0 H ASP A 38 10.420 -1.732 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 38 9.445 0.118 -7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.715 -1.527 -7.762 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.508 -2.473 -8.610 1.00 0.00 H new ATOM 557 N VAL A 39 7.981 -2.255 -6.317 1.00 0.00 N ATOM 558 CA VAL A 39 6.782 -3.093 -6.383 1.00 0.00 C ATOM 559 C VAL A 39 7.124 -4.201 -7.370 1.00 0.00 C ATOM 560 O VAL A 39 6.273 -4.845 -7.949 1.00 0.00 O ATOM 561 CB VAL A 39 5.591 -2.249 -6.873 1.00 0.00 C ATOM 562 CG1 VAL A 39 4.335 -2.661 -6.125 1.00 0.00 C ATOM 563 CG2 VAL A 39 5.831 -0.760 -6.596 1.00 0.00 C ATOM 0 H VAL A 39 8.393 -2.129 -5.393 1.00 0.00 H new ATOM 0 HA VAL A 39 6.498 -3.506 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 39 5.480 -2.413 -7.945 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.492 -2.063 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.132 -3.716 -6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.478 -2.500 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.977 -0.182 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.955 -0.605 -5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.731 -0.434 -7.117 1.00 0.00 H new ATOM 573 N GLU A 40 8.409 -4.414 -7.540 1.00 0.00 N ATOM 574 CA GLU A 40 8.912 -5.456 -8.449 1.00 0.00 C ATOM 575 C GLU A 40 9.955 -6.254 -7.679 1.00 0.00 C ATOM 576 O GLU A 40 9.675 -7.308 -7.143 1.00 0.00 O ATOM 577 CB GLU A 40 9.545 -4.804 -9.676 1.00 0.00 C ATOM 578 CG GLU A 40 8.847 -5.313 -10.937 1.00 0.00 C ATOM 579 CD GLU A 40 8.834 -6.842 -10.933 1.00 0.00 C ATOM 580 OE1 GLU A 40 9.487 -7.418 -10.078 1.00 0.00 O ATOM 581 OE2 GLU A 40 8.172 -7.411 -11.784 1.00 0.00 O ATOM 0 H GLU A 40 9.140 -3.884 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 40 8.106 -6.106 -8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.458 -3.719 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.609 -5.036 -9.717 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.827 -4.931 -10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.363 -4.946 -11.824 1.00 0.00 H new ATOM 588 N LYS A 41 11.136 -5.723 -7.554 1.00 0.00 N ATOM 589 CA LYS A 41 12.159 -6.419 -6.739 1.00 0.00 C ATOM 590 C LYS A 41 11.728 -6.240 -5.280 1.00 0.00 C ATOM 591 O LYS A 41 12.185 -6.922 -4.384 1.00 0.00 O ATOM 592 CB LYS A 41 13.537 -5.791 -6.971 1.00 0.00 C ATOM 593 CG LYS A 41 14.595 -6.589 -6.205 1.00 0.00 C ATOM 594 CD LYS A 41 15.127 -7.715 -7.094 1.00 0.00 C ATOM 595 CE LYS A 41 15.867 -7.117 -8.293 1.00 0.00 C ATOM 596 NZ LYS A 41 16.933 -8.058 -8.738 1.00 0.00 N ATOM 0 H LYS A 41 11.434 -4.844 -7.978 1.00 0.00 H new ATOM 0 HA LYS A 41 12.236 -7.473 -7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.771 -5.784 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.537 -4.753 -6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.412 -5.934 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.164 -7.003 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.798 -8.357 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 41 14.303 -8.341 -7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.169 -6.930 -9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.305 -6.156 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.436 -7.652 -9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.604 -8.215 -7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.503 -8.964 -9.013 1.00 0.00 H new ATOM 610 N ASN A 42 10.808 -5.327 -5.061 1.00 0.00 N ATOM 611 CA ASN A 42 10.273 -5.072 -3.702 1.00 0.00 C ATOM 612 C ASN A 42 8.771 -5.375 -3.728 1.00 0.00 C ATOM 613 O ASN A 42 8.056 -5.105 -2.783 1.00 0.00 O ATOM 614 CB ASN A 42 10.481 -3.596 -3.350 1.00 0.00 C ATOM 615 CG ASN A 42 11.968 -3.315 -3.157 1.00 0.00 C ATOM 616 OD1 ASN A 42 12.462 -3.291 -2.047 1.00 0.00 O ATOM 617 ND2 ASN A 42 12.703 -3.096 -4.211 1.00 0.00 N ATOM 0 H ASN A 42 10.403 -4.740 -5.790 1.00 0.00 H new ATOM 0 HA ASN A 42 10.780 -5.694 -2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.082 -2.964 -4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.934 -3.349 -2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.699 -2.903 -4.107 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.282 -3.118 -5.140 1.00 0.00 H new ATOM 624 N ASN A 43 8.286 -5.930 -4.818 1.00 0.00 N ATOM 625 CA ASN A 43 6.834 -6.252 -4.916 1.00 0.00 C ATOM 626 C ASN A 43 6.489 -7.258 -3.827 1.00 0.00 C ATOM 627 O ASN A 43 5.548 -7.088 -3.083 1.00 0.00 O ATOM 628 CB ASN A 43 6.516 -6.833 -6.310 1.00 0.00 C ATOM 629 CG ASN A 43 6.546 -8.369 -6.295 1.00 0.00 C ATOM 630 OD1 ASN A 43 5.784 -8.996 -5.586 1.00 0.00 O ATOM 631 ND2 ASN A 43 7.397 -9.001 -7.057 1.00 0.00 N ATOM 0 H ASN A 43 8.838 -6.171 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 43 6.239 -5.349 -4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.534 -6.490 -6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.239 -6.460 -7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.422 -10.021 -7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.037 -8.475 -7.652 1.00 0.00 H new ATOM 638 N SER A 44 7.258 -8.304 -3.725 1.00 0.00 N ATOM 639 CA SER A 44 6.984 -9.311 -2.676 1.00 0.00 C ATOM 640 C SER A 44 7.333 -8.705 -1.327 1.00 0.00 C ATOM 641 O SER A 44 7.046 -9.272 -0.292 1.00 0.00 O ATOM 642 CB SER A 44 7.836 -10.551 -2.905 1.00 0.00 C ATOM 643 OG SER A 44 7.068 -11.710 -2.609 1.00 0.00 O ATOM 0 H SER A 44 8.061 -8.501 -4.322 1.00 0.00 H new ATOM 0 HA SER A 44 5.932 -9.596 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.181 -10.583 -3.938 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.724 -10.518 -2.274 1.00 0.00 H new ATOM 0 HG SER A 44 7.614 -12.511 -2.757 1.00 0.00 H new ATOM 649 N ARG A 45 7.932 -7.542 -1.315 1.00 0.00 N ATOM 650 CA ARG A 45 8.255 -6.925 -0.011 1.00 0.00 C ATOM 651 C ARG A 45 7.261 -5.790 0.228 1.00 0.00 C ATOM 652 O ARG A 45 7.188 -5.220 1.294 1.00 0.00 O ATOM 653 CB ARG A 45 9.727 -6.452 -0.003 1.00 0.00 C ATOM 654 CG ARG A 45 9.854 -4.926 0.118 1.00 0.00 C ATOM 655 CD ARG A 45 11.233 -4.568 0.686 1.00 0.00 C ATOM 656 NE ARG A 45 12.214 -5.645 0.365 1.00 0.00 N ATOM 657 CZ ARG A 45 13.233 -5.853 1.152 1.00 0.00 C ATOM 658 NH1 ARG A 45 14.018 -4.862 1.477 1.00 0.00 N ATOM 659 NH2 ARG A 45 13.466 -7.050 1.619 1.00 0.00 N ATOM 0 H ARG A 45 8.204 -7.007 -2.140 1.00 0.00 H new ATOM 0 HA ARG A 45 8.161 -7.641 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.252 -6.924 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.216 -6.783 -0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.720 -4.461 -0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.070 -4.536 0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.572 -3.620 0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.167 -4.435 1.766 1.00 0.00 H new ATOM 0 HE ARG A 45 12.088 -6.218 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.834 -3.926 1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.815 -5.024 2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.851 -7.824 1.368 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.263 -7.211 2.234 1.00 0.00 H new ATOM 673 N ILE A 46 6.477 -5.489 -0.767 1.00 0.00 N ATOM 674 CA ILE A 46 5.461 -4.421 -0.642 1.00 0.00 C ATOM 675 C ILE A 46 4.116 -5.073 -0.330 1.00 0.00 C ATOM 676 O ILE A 46 3.261 -4.485 0.294 1.00 0.00 O ATOM 677 CB ILE A 46 5.401 -3.672 -1.978 1.00 0.00 C ATOM 678 CG1 ILE A 46 6.204 -2.381 -1.864 1.00 0.00 C ATOM 679 CG2 ILE A 46 3.954 -3.338 -2.365 1.00 0.00 C ATOM 680 CD1 ILE A 46 6.132 -1.622 -3.187 1.00 0.00 C ATOM 0 H ILE A 46 6.502 -5.949 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 46 5.708 -3.720 0.156 1.00 0.00 H new ATOM 0 HB ILE A 46 5.821 -4.314 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.810 -1.764 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.242 -2.605 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.945 -2.807 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.380 -4.260 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.507 -2.709 -1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.705 -0.698 -3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.546 -2.240 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.093 -1.385 -3.415 1.00 0.00 H new ATOM 692 N LYS A 47 3.932 -6.291 -0.757 1.00 0.00 N ATOM 693 CA LYS A 47 2.652 -6.996 -0.471 1.00 0.00 C ATOM 694 C LYS A 47 2.607 -7.328 1.023 1.00 0.00 C ATOM 695 O LYS A 47 1.620 -7.814 1.539 1.00 0.00 O ATOM 696 CB LYS A 47 2.571 -8.286 -1.292 1.00 0.00 C ATOM 697 CG LYS A 47 3.684 -9.244 -0.861 1.00 0.00 C ATOM 698 CD LYS A 47 3.144 -10.222 0.186 1.00 0.00 C ATOM 699 CE LYS A 47 2.398 -11.363 -0.510 1.00 0.00 C ATOM 700 NZ LYS A 47 3.271 -11.963 -1.558 1.00 0.00 N ATOM 0 H LYS A 47 4.614 -6.829 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 47 1.808 -6.360 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.598 -8.757 -1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.665 -8.059 -2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.061 -9.792 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.522 -8.682 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.965 -10.621 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.475 -9.702 0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.112 -12.122 0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.478 -10.989 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.096 -12.987 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.059 -11.527 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.269 -11.795 -1.317 1.00 0.00 H new ATOM 714 N LEU A 48 3.673 -7.039 1.723 1.00 0.00 N ATOM 715 CA LEU A 48 3.718 -7.296 3.185 1.00 0.00 C ATOM 716 C LEU A 48 3.534 -5.954 3.882 1.00 0.00 C ATOM 717 O LEU A 48 2.725 -5.806 4.776 1.00 0.00 O ATOM 718 CB LEU A 48 5.071 -7.905 3.556 1.00 0.00 C ATOM 719 CG LEU A 48 5.057 -9.399 3.235 1.00 0.00 C ATOM 720 CD1 LEU A 48 6.404 -9.806 2.635 1.00 0.00 C ATOM 721 CD2 LEU A 48 4.808 -10.194 4.518 1.00 0.00 C ATOM 0 H LEU A 48 4.523 -6.631 1.335 1.00 0.00 H new ATOM 0 HA LEU A 48 2.937 -7.994 3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.869 -7.410 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.274 -7.751 4.616 1.00 0.00 H new ATOM 0 HG LEU A 48 4.263 -9.609 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.393 -10.872 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.581 -9.240 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.199 -9.596 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.798 -11.260 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.601 -9.984 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.847 -9.905 4.944 1.00 0.00 H new ATOM 733 N GLY A 49 4.248 -4.955 3.434 1.00 0.00 N ATOM 734 CA GLY A 49 4.080 -3.606 4.016 1.00 0.00 C ATOM 735 C GLY A 49 2.745 -3.072 3.524 1.00 0.00 C ATOM 736 O GLY A 49 2.222 -2.098 4.028 1.00 0.00 O ATOM 0 H GLY A 49 4.940 -5.023 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.100 -3.651 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.894 -2.950 3.709 1.00 0.00 H new ATOM 740 N LEU A 50 2.172 -3.735 2.552 1.00 0.00 N ATOM 741 CA LEU A 50 0.855 -3.304 2.043 1.00 0.00 C ATOM 742 C LEU A 50 -0.188 -4.066 2.830 1.00 0.00 C ATOM 743 O LEU A 50 -1.051 -3.495 3.466 1.00 0.00 O ATOM 744 CB LEU A 50 0.701 -3.630 0.568 1.00 0.00 C ATOM 745 CG LEU A 50 -0.714 -3.246 0.139 1.00 0.00 C ATOM 746 CD1 LEU A 50 -0.856 -1.728 0.150 1.00 0.00 C ATOM 747 CD2 LEU A 50 -0.969 -3.777 -1.263 1.00 0.00 C ATOM 0 H LEU A 50 2.568 -4.556 2.094 1.00 0.00 H new ATOM 0 HA LEU A 50 0.747 -2.225 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.438 -3.084 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.876 -4.691 0.393 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.439 -3.676 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.866 -1.455 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.668 -1.352 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.136 -1.290 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.977 -3.507 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.246 -3.343 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.867 -4.862 -1.265 1.00 0.00 H new ATOM 759 N LYS A 51 -0.072 -5.366 2.846 1.00 0.00 N ATOM 760 CA LYS A 51 -1.011 -6.161 3.659 1.00 0.00 C ATOM 761 C LYS A 51 -0.892 -5.618 5.078 1.00 0.00 C ATOM 762 O LYS A 51 -1.756 -5.795 5.907 1.00 0.00 O ATOM 763 CB LYS A 51 -0.613 -7.638 3.625 1.00 0.00 C ATOM 764 CG LYS A 51 -1.334 -8.332 2.469 1.00 0.00 C ATOM 765 CD LYS A 51 -1.750 -9.739 2.900 1.00 0.00 C ATOM 766 CE LYS A 51 -0.528 -10.494 3.426 1.00 0.00 C ATOM 767 NZ LYS A 51 -0.328 -11.733 2.623 1.00 0.00 N ATOM 0 H LYS A 51 0.629 -5.901 2.333 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.032 -6.088 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.466 -7.732 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.871 -8.117 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.211 -7.756 2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.681 -8.385 1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.516 -9.682 3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.187 -10.275 2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.358 -9.861 3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.668 -10.747 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.503 -12.247 2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.170 -12.338 2.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.177 -11.480 1.626 1.00 0.00 H new ATOM 781 N SER A 52 0.191 -4.934 5.353 1.00 0.00 N ATOM 782 CA SER A 52 0.382 -4.349 6.693 1.00 0.00 C ATOM 783 C SER A 52 -0.142 -2.914 6.690 1.00 0.00 C ATOM 784 O SER A 52 -0.620 -2.437 7.691 1.00 0.00 O ATOM 785 CB SER A 52 1.867 -4.359 7.054 1.00 0.00 C ATOM 786 OG SER A 52 2.046 -3.755 8.328 1.00 0.00 O ATOM 0 H SER A 52 0.950 -4.761 4.694 1.00 0.00 H new ATOM 0 HA SER A 52 -0.164 -4.936 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.242 -5.382 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.440 -3.820 6.300 1.00 0.00 H new ATOM 0 HG SER A 52 2.998 -3.762 8.562 1.00 0.00 H new ATOM 792 N LEU A 53 -0.082 -2.197 5.594 1.00 0.00 N ATOM 793 CA LEU A 53 -0.625 -0.816 5.669 1.00 0.00 C ATOM 794 C LEU A 53 -2.123 -0.840 5.346 1.00 0.00 C ATOM 795 O LEU A 53 -2.947 -0.482 6.161 1.00 0.00 O ATOM 796 CB LEU A 53 0.121 0.104 4.706 1.00 0.00 C ATOM 797 CG LEU A 53 0.956 1.092 5.527 1.00 0.00 C ATOM 798 CD1 LEU A 53 0.023 2.010 6.321 1.00 0.00 C ATOM 799 CD2 LEU A 53 1.845 0.312 6.497 1.00 0.00 C ATOM 0 H LEU A 53 0.300 -2.492 4.696 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.486 -0.429 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.764 -0.479 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.584 0.640 4.071 1.00 0.00 H new ATOM 0 HG LEU A 53 1.575 1.692 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.616 2.714 6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.618 2.560 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.594 1.411 6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.442 1.010 7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.221 -0.283 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.506 -0.347 5.935 1.00 0.00 H new ATOM 811 N VAL A 54 -2.480 -1.254 4.166 1.00 0.00 N ATOM 812 CA VAL A 54 -3.919 -1.293 3.779 1.00 0.00 C ATOM 813 C VAL A 54 -4.715 -2.312 4.611 1.00 0.00 C ATOM 814 O VAL A 54 -5.923 -2.220 4.699 1.00 0.00 O ATOM 815 CB VAL A 54 -4.008 -1.658 2.302 1.00 0.00 C ATOM 816 CG1 VAL A 54 -5.453 -1.998 1.930 1.00 0.00 C ATOM 817 CG2 VAL A 54 -3.529 -0.476 1.458 1.00 0.00 C ATOM 0 H VAL A 54 -1.832 -1.571 3.444 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.355 -0.312 3.968 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.378 -2.527 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.505 -2.257 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.793 -2.843 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.091 -1.136 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.592 -0.735 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.158 0.392 1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.496 -0.242 1.713 1.00 0.00 H new ATOM 827 N SER A 55 -4.083 -3.286 5.210 1.00 0.00 N ATOM 828 CA SER A 55 -4.878 -4.277 6.000 1.00 0.00 C ATOM 829 C SER A 55 -4.826 -3.942 7.495 1.00 0.00 C ATOM 830 O SER A 55 -5.834 -3.977 8.172 1.00 0.00 O ATOM 831 CB SER A 55 -4.349 -5.692 5.751 1.00 0.00 C ATOM 832 OG SER A 55 -3.849 -6.245 6.964 1.00 0.00 O ATOM 0 H SER A 55 -3.075 -3.439 5.190 1.00 0.00 H new ATOM 0 HA SER A 55 -5.917 -4.228 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.145 -6.322 5.355 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.559 -5.667 5.000 1.00 0.00 H new ATOM 0 HG SER A 55 -2.898 -6.456 6.860 1.00 0.00 H new ATOM 838 N LYS A 56 -3.675 -3.614 8.024 1.00 0.00 N ATOM 839 CA LYS A 56 -3.605 -3.277 9.477 1.00 0.00 C ATOM 840 C LYS A 56 -4.755 -2.343 9.808 1.00 0.00 C ATOM 841 O LYS A 56 -5.317 -2.371 10.885 1.00 0.00 O ATOM 842 CB LYS A 56 -2.295 -2.559 9.789 1.00 0.00 C ATOM 843 CG LYS A 56 -1.162 -3.575 9.857 1.00 0.00 C ATOM 844 CD LYS A 56 -1.218 -4.307 11.199 1.00 0.00 C ATOM 845 CE LYS A 56 -0.034 -5.268 11.307 1.00 0.00 C ATOM 846 NZ LYS A 56 -0.064 -5.942 12.636 1.00 0.00 N ATOM 0 H LYS A 56 -2.790 -3.565 7.519 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.663 -4.194 10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.084 -1.814 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.377 -2.026 10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.248 -4.288 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.201 -3.073 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.192 -3.588 12.018 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.155 -4.857 11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.079 -6.010 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.903 -4.724 11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.741 -6.596 12.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.001 -5.228 13.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.953 -6.473 12.736 1.00 0.00 H new ATOM 860 N GLY A 57 -5.096 -1.507 8.878 1.00 0.00 N ATOM 861 CA GLY A 57 -6.203 -0.545 9.107 1.00 0.00 C ATOM 862 C GLY A 57 -5.709 0.866 8.803 1.00 0.00 C ATOM 863 O GLY A 57 -6.489 1.758 8.537 1.00 0.00 O ATOM 0 H GLY A 57 -4.653 -1.447 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.053 -0.791 8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.549 -0.608 10.139 1.00 0.00 H new ATOM 867 N THR A 58 -4.413 1.078 8.805 1.00 0.00 N ATOM 868 CA THR A 58 -3.899 2.433 8.475 1.00 0.00 C ATOM 869 C THR A 58 -4.593 2.836 7.188 1.00 0.00 C ATOM 870 O THR A 58 -5.467 3.673 7.171 1.00 0.00 O ATOM 871 CB THR A 58 -2.384 2.382 8.257 1.00 0.00 C ATOM 872 OG1 THR A 58 -1.960 1.027 8.203 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.675 3.097 9.409 1.00 0.00 C ATOM 0 H THR A 58 -3.703 0.378 9.019 1.00 0.00 H new ATOM 0 HA THR A 58 -4.093 3.143 9.279 1.00 0.00 H new ATOM 0 HB THR A 58 -2.135 2.878 7.319 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.286 0.615 7.376 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.597 3.060 9.252 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.000 4.137 9.447 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.922 2.605 10.350 1.00 0.00 H new ATOM 881 N LEU A 59 -4.249 2.181 6.123 1.00 0.00 N ATOM 882 CA LEU A 59 -4.917 2.446 4.834 1.00 0.00 C ATOM 883 C LEU A 59 -6.076 1.442 4.722 1.00 0.00 C ATOM 884 O LEU A 59 -5.921 0.281 5.042 1.00 0.00 O ATOM 885 CB LEU A 59 -3.894 2.251 3.714 1.00 0.00 C ATOM 886 CG LEU A 59 -4.347 2.996 2.467 1.00 0.00 C ATOM 887 CD1 LEU A 59 -4.436 4.488 2.778 1.00 0.00 C ATOM 888 CD2 LEU A 59 -3.338 2.772 1.338 1.00 0.00 C ATOM 0 H LEU A 59 -3.524 1.464 6.093 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.306 3.462 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.918 2.617 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.780 1.190 3.494 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.324 2.625 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.760 5.027 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.154 4.650 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.457 4.854 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.665 3.307 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.360 3.143 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.269 1.707 1.117 1.00 0.00 H new ATOM 900 N VAL A 60 -7.249 1.865 4.328 1.00 0.00 N ATOM 901 CA VAL A 60 -8.381 0.886 4.271 1.00 0.00 C ATOM 902 C VAL A 60 -8.868 0.688 2.839 1.00 0.00 C ATOM 903 O VAL A 60 -9.672 1.443 2.329 1.00 0.00 O ATOM 904 CB VAL A 60 -9.562 1.363 5.120 1.00 0.00 C ATOM 905 CG1 VAL A 60 -10.088 0.194 5.954 1.00 0.00 C ATOM 906 CG2 VAL A 60 -9.133 2.495 6.054 1.00 0.00 C ATOM 0 H VAL A 60 -7.472 2.820 4.049 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.002 -0.058 4.662 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.343 1.733 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.929 0.529 6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.415 -0.608 5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.295 -0.174 6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.987 2.820 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.343 2.141 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.762 3.333 5.464 1.00 0.00 H new ATOM 916 N GLN A 61 -8.407 -0.348 2.208 1.00 0.00 N ATOM 917 CA GLN A 61 -8.847 -0.648 0.816 1.00 0.00 C ATOM 918 C GLN A 61 -10.321 -1.068 0.840 1.00 0.00 C ATOM 919 O GLN A 61 -11.061 -0.707 1.734 1.00 0.00 O ATOM 920 CB GLN A 61 -7.990 -1.785 0.242 1.00 0.00 C ATOM 921 CG GLN A 61 -8.106 -3.020 1.130 1.00 0.00 C ATOM 922 CD GLN A 61 -7.414 -4.217 0.468 1.00 0.00 C ATOM 923 OE1 GLN A 61 -7.483 -5.321 0.972 1.00 0.00 O ATOM 924 NE2 GLN A 61 -6.744 -4.053 -0.641 1.00 0.00 N ATOM 0 H GLN A 61 -7.736 -1.010 2.598 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.729 0.236 0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.316 -2.022 -0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.949 -1.470 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.654 -2.822 2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.156 -3.251 1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.683 -3.129 -1.068 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.282 -4.849 -1.080 1.00 0.00 H new ATOM 933 N THR A 62 -10.759 -1.824 -0.131 1.00 0.00 N ATOM 934 CA THR A 62 -12.185 -2.256 -0.149 1.00 0.00 C ATOM 935 C THR A 62 -12.368 -3.376 -1.176 1.00 0.00 C ATOM 936 O THR A 62 -13.300 -3.371 -1.955 1.00 0.00 O ATOM 937 CB THR A 62 -13.074 -1.069 -0.525 1.00 0.00 C ATOM 938 OG1 THR A 62 -12.313 -0.125 -1.266 1.00 0.00 O ATOM 939 CG2 THR A 62 -13.610 -0.409 0.747 1.00 0.00 C ATOM 0 H THR A 62 -10.192 -2.160 -0.910 1.00 0.00 H new ATOM 0 HA THR A 62 -12.465 -2.621 0.839 1.00 0.00 H new ATOM 0 HB THR A 62 -13.910 -1.418 -1.131 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.876 0.499 -0.650 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.243 0.437 0.479 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.193 -1.134 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.776 -0.059 1.355 1.00 0.00 H new ATOM 1018 N GLY A 69 -10.111 -3.024 -4.991 1.00 0.00 N ATOM 1019 CA GLY A 69 -10.977 -2.400 -3.951 1.00 0.00 C ATOM 1020 C GLY A 69 -10.825 -0.880 -4.008 1.00 0.00 C ATOM 1021 O GLY A 69 -11.303 -0.236 -4.921 1.00 0.00 O ATOM 0 HA2 GLY A 69 -12.018 -2.679 -4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.700 -2.767 -2.963 1.00 0.00 H new ATOM 1025 N SER A 70 -10.162 -0.302 -3.041 1.00 0.00 N ATOM 1026 CA SER A 70 -9.978 1.178 -3.038 1.00 0.00 C ATOM 1027 C SER A 70 -9.602 1.645 -1.630 1.00 0.00 C ATOM 1028 O SER A 70 -10.423 1.667 -0.735 1.00 0.00 O ATOM 1029 CB SER A 70 -11.283 1.855 -3.460 1.00 0.00 C ATOM 1030 OG SER A 70 -11.251 2.105 -4.859 1.00 0.00 O ATOM 0 H SER A 70 -9.740 -0.792 -2.252 1.00 0.00 H new ATOM 0 HA SER A 70 -9.184 1.444 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.133 1.219 -3.212 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.414 2.790 -2.915 1.00 0.00 H new ATOM 0 HG SER A 70 -11.244 1.253 -5.343 1.00 0.00 H new ATOM 1036 N PHE A 71 -8.369 2.025 -1.423 1.00 0.00 N ATOM 1037 CA PHE A 71 -7.960 2.494 -0.072 1.00 0.00 C ATOM 1038 C PHE A 71 -8.180 4.004 0.016 1.00 0.00 C ATOM 1039 O PHE A 71 -7.641 4.769 -0.758 1.00 0.00 O ATOM 1040 CB PHE A 71 -6.475 2.181 0.213 1.00 0.00 C ATOM 1041 CG PHE A 71 -5.838 1.386 -0.907 1.00 0.00 C ATOM 1042 CD1 PHE A 71 -6.469 0.247 -1.418 1.00 0.00 C ATOM 1043 CD2 PHE A 71 -4.592 1.775 -1.409 1.00 0.00 C ATOM 1044 CE1 PHE A 71 -5.863 -0.497 -2.430 1.00 0.00 C ATOM 1045 CE2 PHE A 71 -3.981 1.024 -2.418 1.00 0.00 C ATOM 1046 CZ PHE A 71 -4.618 -0.111 -2.926 1.00 0.00 C ATOM 0 H PHE A 71 -7.633 2.030 -2.129 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.564 1.971 0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.928 3.114 0.352 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.395 1.622 1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.429 -0.057 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.102 2.654 -1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.357 -1.371 -2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.017 1.321 -2.804 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.145 -0.691 -3.705 1.00 0.00 H new ATOM 1056 N ARG A 72 -8.957 4.438 0.969 1.00 0.00 N ATOM 1057 CA ARG A 72 -9.202 5.896 1.132 1.00 0.00 C ATOM 1058 C ARG A 72 -8.300 6.378 2.256 1.00 0.00 C ATOM 1059 O ARG A 72 -7.858 7.508 2.276 1.00 0.00 O ATOM 1060 CB ARG A 72 -10.667 6.138 1.500 1.00 0.00 C ATOM 1061 CG ARG A 72 -11.360 6.898 0.369 1.00 0.00 C ATOM 1062 CD ARG A 72 -11.421 6.013 -0.877 1.00 0.00 C ATOM 1063 NE ARG A 72 -11.091 6.826 -2.081 1.00 0.00 N ATOM 1064 CZ ARG A 72 -11.992 7.609 -2.605 1.00 0.00 C ATOM 1065 NH1 ARG A 72 -12.803 7.150 -3.519 1.00 0.00 N ATOM 1066 NH2 ARG A 72 -12.085 8.851 -2.215 1.00 0.00 N ATOM 0 H ARG A 72 -9.435 3.842 1.645 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.990 6.432 0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.171 5.187 1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.730 6.708 2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.366 7.186 0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.818 7.818 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.720 5.184 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.416 5.579 -0.980 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.161 6.770 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.732 6.179 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.508 7.762 -3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.452 9.210 -1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.790 9.463 -2.626 1.00 0.00 H new ATOM 1080 N LEU A 73 -8.029 5.485 3.174 1.00 0.00 N ATOM 1081 CA LEU A 73 -7.144 5.767 4.337 1.00 0.00 C ATOM 1082 C LEU A 73 -7.971 5.829 5.614 1.00 0.00 C ATOM 1083 O LEU A 73 -8.690 6.774 5.869 1.00 0.00 O ATOM 1084 CB LEU A 73 -6.350 7.071 4.167 1.00 0.00 C ATOM 1085 CG LEU A 73 -5.341 7.241 5.324 1.00 0.00 C ATOM 1086 CD1 LEU A 73 -5.028 5.897 5.982 1.00 0.00 C ATOM 1087 CD2 LEU A 73 -4.038 7.823 4.787 1.00 0.00 C ATOM 0 H LEU A 73 -8.402 4.536 3.160 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.422 4.953 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.822 7.061 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.033 7.920 4.144 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.787 7.909 6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.315 6.046 6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.946 5.464 6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.600 5.221 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.328 7.942 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.620 7.150 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.233 8.794 4.332 1.00 0.00 H new ATOM 1099 N SER A 74 -7.860 4.813 6.418 1.00 0.00 N ATOM 1100 CA SER A 74 -8.616 4.767 7.693 1.00 0.00 C ATOM 1101 C SER A 74 -10.096 5.055 7.429 1.00 0.00 C ATOM 1102 O SER A 74 -10.882 4.157 7.200 1.00 0.00 O ATOM 1103 CB SER A 74 -8.055 5.811 8.658 1.00 0.00 C ATOM 1104 OG SER A 74 -7.022 5.222 9.438 1.00 0.00 O ATOM 0 H SER A 74 -7.268 4.001 6.242 1.00 0.00 H new ATOM 0 HA SER A 74 -8.517 3.775 8.134 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.666 6.664 8.103 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.847 6.187 9.306 1.00 0.00 H new ATOM 0 HG SER A 74 -6.428 4.703 8.856 1.00 0.00 H new ATOM 1110 N LYS A 75 -10.483 6.302 7.462 1.00 0.00 N ATOM 1111 CA LYS A 75 -11.913 6.645 7.216 1.00 0.00 C ATOM 1112 C LYS A 75 -12.056 7.279 5.830 1.00 0.00 C ATOM 1113 O LYS A 75 -11.062 7.765 5.317 1.00 0.00 O ATOM 1114 CB LYS A 75 -12.390 7.636 8.280 1.00 0.00 C ATOM 1115 CG LYS A 75 -12.633 6.895 9.596 1.00 0.00 C ATOM 1116 CD LYS A 75 -12.972 7.903 10.696 1.00 0.00 C ATOM 1117 CE LYS A 75 -13.418 7.156 11.954 1.00 0.00 C ATOM 1118 NZ LYS A 75 -14.241 8.063 12.804 1.00 0.00 N ATOM 1119 OXT LYS A 75 -13.158 7.267 5.306 1.00 0.00 O ATOM 0 H LYS A 75 -9.871 7.097 7.648 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.517 5.739 7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.645 8.418 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.307 8.125 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.449 6.182 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.747 6.324 9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.102 8.522 10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.763 8.573 10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.996 6.273 11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.548 6.808 12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.545 7.556 13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.675 8.892 13.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.078 8.374 12.271 1.00 0.00 H new