USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 468 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 6 LYS NZ :NH3+ -169:sc= 2.27 (180deg=1.89) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0157) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.22 (180deg=1) USER MOD Single : A 12 THR OG1 : rot -92:sc= 0.736 USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= 0.782 (180deg=-0.0767) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc=-0.00718 (180deg=-0.165) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0.887 (180deg=0.837) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -79:sc= -0.91 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -160:sc= 1.22 USER MOD Single : A 52 HIS : no HE2:sc= 1 K(o=1,f=-5.6!) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= -0.005 (180deg=-0.059) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.456 USER MOD ----------------------------------------------------------------- ATOM 71 N LYS A 6 -2.982 5.388 5.301 1.00 0.00 N ATOM 72 CA LYS A 6 -2.120 4.563 6.094 1.00 0.00 C ATOM 73 C LYS A 6 -0.705 5.012 5.821 1.00 0.00 C ATOM 74 O LYS A 6 -0.138 4.665 4.805 1.00 0.00 O ATOM 75 CB LYS A 6 -2.289 3.050 5.818 1.00 0.00 C ATOM 76 CG LYS A 6 -3.516 2.428 6.469 1.00 0.00 C ATOM 77 CD LYS A 6 -3.600 0.920 6.257 1.00 0.00 C ATOM 78 CE LYS A 6 -3.809 0.531 4.803 1.00 0.00 C ATOM 79 NZ LYS A 6 -4.038 -0.919 4.684 1.00 0.00 N ATOM 0 HA LYS A 6 -2.381 4.683 7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.345 2.893 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.400 2.527 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.500 2.639 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.413 2.897 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.684 0.457 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.419 0.521 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.661 1.074 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.937 0.817 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.993 -1.197 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.307 -1.431 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.976 -1.155 5.067 1.00 0.00 H new ATOM 93 N PRO A 7 -0.177 5.908 6.651 1.00 0.00 N ATOM 94 CA PRO A 7 1.166 6.394 6.503 1.00 0.00 C ATOM 95 C PRO A 7 2.174 5.465 7.163 1.00 0.00 C ATOM 96 O PRO A 7 2.120 5.215 8.383 1.00 0.00 O ATOM 97 CB PRO A 7 1.139 7.770 7.175 1.00 0.00 C ATOM 98 CG PRO A 7 -0.061 7.778 8.069 1.00 0.00 C ATOM 99 CD PRO A 7 -0.859 6.529 7.791 1.00 0.00 C ATOM 0 HA PRO A 7 1.477 6.448 5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.051 7.941 7.747 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.075 8.565 6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.244 7.810 9.115 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.667 8.666 7.886 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.873 5.865 8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.896 6.765 7.553 1.00 0.00 H new ATOM 107 N VAL A 8 3.070 4.963 6.373 1.00 0.00 N ATOM 108 CA VAL A 8 4.060 4.033 6.833 1.00 0.00 C ATOM 109 C VAL A 8 5.396 4.753 6.973 1.00 0.00 C ATOM 110 O VAL A 8 5.682 5.694 6.217 1.00 0.00 O ATOM 111 CB VAL A 8 4.175 2.815 5.851 1.00 0.00 C ATOM 112 CG1 VAL A 8 4.586 3.239 4.462 1.00 0.00 C ATOM 113 CG2 VAL A 8 5.106 1.739 6.378 1.00 0.00 C ATOM 0 H VAL A 8 3.138 5.188 5.380 1.00 0.00 H new ATOM 0 HA VAL A 8 3.765 3.641 7.806 1.00 0.00 H new ATOM 0 HB VAL A 8 3.175 2.386 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.652 2.362 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.846 3.930 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.557 3.732 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.153 0.917 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.103 2.157 6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.731 1.369 7.333 1.00 0.00 H new ATOM 123 N LYS A 9 6.175 4.358 7.959 1.00 0.00 N ATOM 124 CA LYS A 9 7.490 4.911 8.157 1.00 0.00 C ATOM 125 C LYS A 9 8.375 4.299 7.082 1.00 0.00 C ATOM 126 O LYS A 9 8.668 3.089 7.111 1.00 0.00 O ATOM 127 CB LYS A 9 7.978 4.524 9.563 1.00 0.00 C ATOM 128 CG LYS A 9 9.312 5.098 10.004 1.00 0.00 C ATOM 129 CD LYS A 9 9.703 4.505 11.356 1.00 0.00 C ATOM 130 CE LYS A 9 11.015 5.061 11.891 1.00 0.00 C ATOM 131 NZ LYS A 9 10.915 6.489 12.260 1.00 0.00 N ATOM 0 H LYS A 9 5.912 3.647 8.641 1.00 0.00 H new ATOM 0 HA LYS A 9 7.505 5.998 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.220 4.833 10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.042 3.437 9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.079 4.874 9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.246 6.184 10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.910 4.703 12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.785 3.422 11.262 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.322 4.484 12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.793 4.937 11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.818 6.807 12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.699 7.052 11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.158 6.614 12.962 1.00 0.00 H new ATOM 145 N VAL A 10 8.749 5.094 6.124 1.00 0.00 N ATOM 146 CA VAL A 10 9.498 4.624 5.001 1.00 0.00 C ATOM 147 C VAL A 10 10.718 5.513 4.760 1.00 0.00 C ATOM 148 O VAL A 10 10.713 6.701 5.094 1.00 0.00 O ATOM 149 CB VAL A 10 8.574 4.567 3.740 1.00 0.00 C ATOM 150 CG1 VAL A 10 8.009 5.932 3.378 1.00 0.00 C ATOM 151 CG2 VAL A 10 9.265 3.947 2.553 1.00 0.00 C ATOM 0 H VAL A 10 8.541 6.092 6.101 1.00 0.00 H new ATOM 0 HA VAL A 10 9.863 3.617 5.206 1.00 0.00 H new ATOM 0 HB VAL A 10 7.738 3.922 4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.374 5.841 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.420 6.315 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.827 6.620 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.583 3.930 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.148 4.534 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.565 2.928 2.798 1.00 0.00 H new ATOM 161 N LYS A 11 11.770 4.922 4.238 1.00 0.00 N ATOM 162 CA LYS A 11 12.966 5.650 3.914 1.00 0.00 C ATOM 163 C LYS A 11 12.779 6.382 2.608 1.00 0.00 C ATOM 164 O LYS A 11 12.418 5.786 1.587 1.00 0.00 O ATOM 165 CB LYS A 11 14.182 4.727 3.845 1.00 0.00 C ATOM 166 CG LYS A 11 14.576 4.128 5.182 1.00 0.00 C ATOM 167 CD LYS A 11 15.735 3.169 5.032 1.00 0.00 C ATOM 168 CE LYS A 11 16.201 2.630 6.379 1.00 0.00 C ATOM 169 NZ LYS A 11 16.857 3.668 7.214 1.00 0.00 N ATOM 0 H LYS A 11 11.816 3.925 4.028 1.00 0.00 H new ATOM 0 HA LYS A 11 13.152 6.374 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.973 3.919 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.028 5.286 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.847 4.925 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.723 3.606 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.439 2.339 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.564 3.675 4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.346 2.222 6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.897 1.807 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.332 3.215 8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.558 4.181 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.141 4.336 7.564 1.00 0.00 H new ATOM 183 N THR A 12 12.988 7.654 2.664 1.00 0.00 N ATOM 184 CA THR A 12 12.868 8.541 1.535 1.00 0.00 C ATOM 185 C THR A 12 14.091 8.402 0.607 1.00 0.00 C ATOM 186 O THR A 12 15.093 7.760 0.989 1.00 0.00 O ATOM 187 CB THR A 12 12.784 9.983 2.071 1.00 0.00 C ATOM 188 OG1 THR A 12 13.886 10.201 2.986 1.00 0.00 O ATOM 189 CG2 THR A 12 11.466 10.203 2.803 1.00 0.00 C ATOM 0 H THR A 12 13.257 8.131 3.524 1.00 0.00 H new ATOM 0 HA THR A 12 11.976 8.291 0.961 1.00 0.00 H new ATOM 0 HB THR A 12 12.838 10.683 1.237 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.598 9.996 3.900 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.423 11.227 3.175 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.636 10.031 2.118 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.395 9.509 3.641 1.00 0.00 H new ATOM 197 N PRO A 13 14.052 8.993 -0.620 1.00 0.00 N ATOM 198 CA PRO A 13 15.198 8.983 -1.528 1.00 0.00 C ATOM 199 C PRO A 13 16.317 9.845 -0.968 1.00 0.00 C ATOM 200 O PRO A 13 17.502 9.643 -1.272 1.00 0.00 O ATOM 201 CB PRO A 13 14.656 9.593 -2.834 1.00 0.00 C ATOM 202 CG PRO A 13 13.178 9.607 -2.684 1.00 0.00 C ATOM 203 CD PRO A 13 12.906 9.698 -1.217 1.00 0.00 C ATOM 0 HA PRO A 13 15.609 7.984 -1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.044 10.600 -2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.957 9.001 -3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.741 10.454 -3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.736 8.705 -3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.850 10.733 -0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.960 9.226 -0.952 1.00 0.00 H new ATOM 211 N ALA A 14 15.926 10.794 -0.126 1.00 0.00 N ATOM 212 CA ALA A 14 16.851 11.664 0.539 1.00 0.00 C ATOM 213 C ALA A 14 17.687 10.860 1.531 1.00 0.00 C ATOM 214 O ALA A 14 18.902 11.045 1.630 1.00 0.00 O ATOM 215 CB ALA A 14 16.106 12.786 1.232 1.00 0.00 C ATOM 0 H ALA A 14 14.949 10.972 0.107 1.00 0.00 H new ATOM 0 HA ALA A 14 17.522 12.112 -0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.819 13.441 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.544 13.359 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.419 12.367 1.967 1.00 0.00 H new ATOM 221 N GLY A 15 17.043 9.952 2.241 1.00 0.00 N ATOM 222 CA GLY A 15 17.771 9.083 3.138 1.00 0.00 C ATOM 223 C GLY A 15 17.344 9.179 4.589 1.00 0.00 C ATOM 224 O GLY A 15 18.161 9.006 5.487 1.00 0.00 O ATOM 0 H GLY A 15 16.035 9.800 2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 15 17.649 8.053 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.833 9.317 3.069 1.00 0.00 H new ATOM 228 N LYS A 16 16.087 9.465 4.829 1.00 0.00 N ATOM 229 CA LYS A 16 15.577 9.496 6.195 1.00 0.00 C ATOM 230 C LYS A 16 14.182 8.917 6.233 1.00 0.00 C ATOM 231 O LYS A 16 13.521 8.833 5.192 1.00 0.00 O ATOM 232 CB LYS A 16 15.642 10.916 6.862 1.00 0.00 C ATOM 233 CG LYS A 16 14.809 12.057 6.241 1.00 0.00 C ATOM 234 CD LYS A 16 15.292 12.462 4.857 1.00 0.00 C ATOM 235 CE LYS A 16 14.579 13.711 4.343 1.00 0.00 C ATOM 236 NZ LYS A 16 14.938 14.933 5.110 1.00 0.00 N ATOM 0 H LYS A 16 15.397 9.679 4.109 1.00 0.00 H new ATOM 0 HA LYS A 16 16.238 8.875 6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.335 10.809 7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.685 11.232 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.766 11.746 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.844 12.925 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.366 12.645 4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.128 11.639 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.828 13.860 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.501 13.557 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.748 15.775 4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.370 14.976 5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.948 14.903 5.357 1.00 0.00 H new ATOM 250 N GLU A 17 13.740 8.502 7.391 1.00 0.00 N ATOM 251 CA GLU A 17 12.438 7.904 7.512 1.00 0.00 C ATOM 252 C GLU A 17 11.371 8.942 7.693 1.00 0.00 C ATOM 253 O GLU A 17 11.457 9.801 8.577 1.00 0.00 O ATOM 254 CB GLU A 17 12.340 6.891 8.652 1.00 0.00 C ATOM 255 CG GLU A 17 13.186 5.649 8.481 1.00 0.00 C ATOM 256 CD GLU A 17 14.636 5.884 8.764 1.00 0.00 C ATOM 257 OE1 GLU A 17 14.983 6.133 9.933 1.00 0.00 O ATOM 258 OE2 GLU A 17 15.459 5.811 7.846 1.00 0.00 O ATOM 0 H GLU A 17 14.263 8.567 8.264 1.00 0.00 H new ATOM 0 HA GLU A 17 12.282 7.370 6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.629 7.383 9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.298 6.590 8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.814 4.869 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.076 5.279 7.462 1.00 0.00 H new ATOM 265 N ALA A 18 10.381 8.863 6.874 1.00 0.00 N ATOM 266 CA ALA A 18 9.252 9.728 6.951 1.00 0.00 C ATOM 267 C ALA A 18 8.022 8.877 6.865 1.00 0.00 C ATOM 268 O ALA A 18 8.045 7.821 6.230 1.00 0.00 O ATOM 269 CB ALA A 18 9.280 10.750 5.822 1.00 0.00 C ATOM 0 H ALA A 18 10.331 8.182 6.116 1.00 0.00 H new ATOM 0 HA ALA A 18 9.263 10.283 7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.409 11.401 5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.188 11.348 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.263 10.233 4.863 1.00 0.00 H new ATOM 275 N GLU A 19 6.986 9.274 7.529 1.00 0.00 N ATOM 276 CA GLU A 19 5.756 8.556 7.452 1.00 0.00 C ATOM 277 C GLU A 19 4.941 9.108 6.326 1.00 0.00 C ATOM 278 O GLU A 19 4.390 10.215 6.396 1.00 0.00 O ATOM 279 CB GLU A 19 5.023 8.568 8.779 1.00 0.00 C ATOM 280 CG GLU A 19 5.776 7.792 9.837 1.00 0.00 C ATOM 281 CD GLU A 19 5.157 7.875 11.186 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.256 7.062 11.503 1.00 0.00 O ATOM 283 OE2 GLU A 19 5.582 8.735 11.978 1.00 0.00 O ATOM 0 H GLU A 19 6.967 10.095 8.133 1.00 0.00 H new ATOM 0 HA GLU A 19 5.954 7.505 7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.886 9.597 9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.029 8.139 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.834 6.746 9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.799 8.166 9.891 1.00 0.00 H new ATOM 290 N LEU A 20 4.909 8.354 5.284 1.00 0.00 N ATOM 291 CA LEU A 20 4.291 8.744 4.064 1.00 0.00 C ATOM 292 C LEU A 20 3.173 7.789 3.738 1.00 0.00 C ATOM 293 O LEU A 20 3.275 6.583 4.008 1.00 0.00 O ATOM 294 CB LEU A 20 5.340 8.743 2.941 1.00 0.00 C ATOM 295 CG LEU A 20 6.522 9.718 3.090 1.00 0.00 C ATOM 296 CD1 LEU A 20 7.504 9.539 1.948 1.00 0.00 C ATOM 297 CD2 LEU A 20 6.039 11.159 3.138 1.00 0.00 C ATOM 0 H LEU A 20 5.323 7.422 5.255 1.00 0.00 H new ATOM 0 HA LEU A 20 3.877 9.748 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.742 7.734 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.832 8.966 2.003 1.00 0.00 H new ATOM 0 HG LEU A 20 7.025 9.492 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.333 10.236 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.885 8.518 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.001 9.735 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.894 11.826 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.506 11.395 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.370 11.290 3.988 1.00 0.00 H new ATOM 309 N VAL A 21 2.101 8.311 3.217 1.00 0.00 N ATOM 310 CA VAL A 21 1.014 7.493 2.797 1.00 0.00 C ATOM 311 C VAL A 21 1.218 7.097 1.332 1.00 0.00 C ATOM 312 O VAL A 21 1.408 7.961 0.454 1.00 0.00 O ATOM 313 CB VAL A 21 -0.377 8.172 3.046 1.00 0.00 C ATOM 314 CG1 VAL A 21 -0.487 9.540 2.385 1.00 0.00 C ATOM 315 CG2 VAL A 21 -1.524 7.266 2.620 1.00 0.00 C ATOM 0 H VAL A 21 1.961 9.311 3.074 1.00 0.00 H new ATOM 0 HA VAL A 21 1.003 6.588 3.405 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.453 8.332 4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.470 9.965 2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.284 10.200 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.354 9.436 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.473 7.768 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.435 7.042 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.486 6.338 3.191 1.00 0.00 H new ATOM 325 N PRO A 22 1.269 5.794 1.053 1.00 0.00 N ATOM 326 CA PRO A 22 1.472 5.305 -0.290 1.00 0.00 C ATOM 327 C PRO A 22 0.300 5.630 -1.206 1.00 0.00 C ATOM 328 O PRO A 22 -0.878 5.463 -0.835 1.00 0.00 O ATOM 329 CB PRO A 22 1.636 3.793 -0.123 1.00 0.00 C ATOM 330 CG PRO A 22 1.000 3.478 1.186 1.00 0.00 C ATOM 331 CD PRO A 22 1.153 4.697 2.035 1.00 0.00 C ATOM 0 HA PRO A 22 2.336 5.774 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.153 3.252 -0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.688 3.507 -0.130 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.052 3.226 1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.479 2.617 1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.295 4.837 2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.036 4.634 2.671 1.00 0.00 H new ATOM 339 N GLU A 23 0.640 6.101 -2.387 1.00 0.00 N ATOM 340 CA GLU A 23 -0.293 6.469 -3.428 1.00 0.00 C ATOM 341 C GLU A 23 -1.078 5.213 -3.805 1.00 0.00 C ATOM 342 O GLU A 23 -2.310 5.205 -3.833 1.00 0.00 O ATOM 343 CB GLU A 23 0.524 6.976 -4.625 1.00 0.00 C ATOM 344 CG GLU A 23 -0.265 7.689 -5.693 1.00 0.00 C ATOM 345 CD GLU A 23 -0.882 8.966 -5.193 1.00 0.00 C ATOM 346 OE1 GLU A 23 -0.141 9.884 -4.763 1.00 0.00 O ATOM 347 OE2 GLU A 23 -2.122 9.081 -5.198 1.00 0.00 O ATOM 0 H GLU A 23 1.613 6.243 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.986 7.248 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.296 7.651 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.034 6.127 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.388 7.910 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.050 7.029 -6.062 1.00 0.00 H new ATOM 354 N LYS A 24 -0.335 4.158 -4.032 1.00 0.00 N ATOM 355 CA LYS A 24 -0.862 2.847 -4.288 1.00 0.00 C ATOM 356 C LYS A 24 0.080 1.821 -3.691 1.00 0.00 C ATOM 357 O LYS A 24 1.280 2.117 -3.516 1.00 0.00 O ATOM 358 CB LYS A 24 -1.067 2.566 -5.782 1.00 0.00 C ATOM 359 CG LYS A 24 0.134 2.859 -6.665 1.00 0.00 C ATOM 360 CD LYS A 24 0.094 2.017 -7.928 1.00 0.00 C ATOM 361 CE LYS A 24 1.072 2.501 -8.971 1.00 0.00 C ATOM 362 NZ LYS A 24 0.664 3.797 -9.557 1.00 0.00 N ATOM 0 H LYS A 24 0.684 4.193 -4.043 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.847 2.786 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.341 1.518 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.911 3.159 -6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.148 3.917 -6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.053 2.655 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.317 0.980 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.914 2.035 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.060 2.602 -8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.156 1.756 -9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.217 3.978 -10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.348 3.767 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.836 4.558 -8.869 1.00 0.00 H new ATOM 376 N VAL A 25 -0.443 0.658 -3.351 1.00 0.00 N ATOM 377 CA VAL A 25 0.356 -0.429 -2.797 1.00 0.00 C ATOM 378 C VAL A 25 0.178 -1.694 -3.619 1.00 0.00 C ATOM 379 O VAL A 25 -0.862 -1.890 -4.277 1.00 0.00 O ATOM 380 CB VAL A 25 0.008 -0.748 -1.306 1.00 0.00 C ATOM 381 CG1 VAL A 25 0.266 0.441 -0.417 1.00 0.00 C ATOM 382 CG2 VAL A 25 -1.434 -1.225 -1.151 1.00 0.00 C ATOM 0 H VAL A 25 -1.434 0.436 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 25 1.391 -0.089 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 25 0.665 -1.560 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.014 0.187 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.319 0.717 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.348 1.280 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.636 -1.436 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.114 -0.449 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.583 -2.131 -1.739 1.00 0.00 H new ATOM 392 N TRP A 26 1.188 -2.520 -3.615 1.00 0.00 N ATOM 393 CA TRP A 26 1.154 -3.795 -4.272 1.00 0.00 C ATOM 394 C TRP A 26 2.154 -4.721 -3.616 1.00 0.00 C ATOM 395 O TRP A 26 2.964 -4.277 -2.798 1.00 0.00 O ATOM 396 CB TRP A 26 1.375 -3.672 -5.800 1.00 0.00 C ATOM 397 CG TRP A 26 2.681 -3.074 -6.261 1.00 0.00 C ATOM 398 CD1 TRP A 26 3.738 -3.748 -6.780 1.00 0.00 C ATOM 399 CD2 TRP A 26 3.050 -1.687 -6.276 1.00 0.00 C ATOM 400 NE1 TRP A 26 4.738 -2.877 -7.119 1.00 0.00 N ATOM 401 CE2 TRP A 26 4.340 -1.605 -6.813 1.00 0.00 C ATOM 402 CE3 TRP A 26 2.419 -0.514 -5.881 1.00 0.00 C ATOM 403 CZ2 TRP A 26 5.001 -0.389 -6.974 1.00 0.00 C ATOM 404 CZ3 TRP A 26 3.077 0.682 -6.036 1.00 0.00 C ATOM 405 CH2 TRP A 26 4.352 0.739 -6.575 1.00 0.00 C ATOM 0 H TRP A 26 2.072 -2.321 -3.147 1.00 0.00 H new ATOM 0 HA TRP A 26 0.158 -4.223 -4.158 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.287 -4.667 -6.235 1.00 0.00 H new ATOM 0 HB3 TRP A 26 0.564 -3.071 -6.211 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.784 -4.819 -6.908 1.00 0.00 H new ATOM 0 HE1 TRP A 26 5.634 -3.135 -7.533 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.426 -0.542 -5.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 5.992 -0.343 -7.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.590 1.597 -5.731 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.840 1.697 -6.681 1.00 0.00 H new ATOM 416 N ALA A 27 2.091 -5.986 -3.933 1.00 0.00 N ATOM 417 CA ALA A 27 2.978 -6.949 -3.330 1.00 0.00 C ATOM 418 C ALA A 27 3.454 -7.949 -4.351 1.00 0.00 C ATOM 419 O ALA A 27 2.696 -8.368 -5.234 1.00 0.00 O ATOM 420 CB ALA A 27 2.292 -7.662 -2.171 1.00 0.00 C ATOM 0 H ALA A 27 1.433 -6.377 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 27 3.844 -6.413 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.979 -8.384 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.000 -6.932 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.406 -8.181 -2.536 1.00 0.00 H new ATOM 426 N LEU A 28 4.700 -8.290 -4.261 1.00 0.00 N ATOM 427 CA LEU A 28 5.289 -9.279 -5.110 1.00 0.00 C ATOM 428 C LEU A 28 5.669 -10.466 -4.260 1.00 0.00 C ATOM 429 O LEU A 28 6.730 -10.475 -3.610 1.00 0.00 O ATOM 430 CB LEU A 28 6.532 -8.749 -5.873 1.00 0.00 C ATOM 431 CG LEU A 28 6.322 -7.617 -6.904 1.00 0.00 C ATOM 432 CD1 LEU A 28 6.047 -6.284 -6.232 1.00 0.00 C ATOM 433 CD2 LEU A 28 7.517 -7.503 -7.829 1.00 0.00 C ATOM 0 H LEU A 28 5.348 -7.884 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 28 4.558 -9.560 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.253 -8.398 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.990 -9.592 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 28 5.444 -7.878 -7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.905 -5.516 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.146 -6.362 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.892 -6.015 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.347 -6.700 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.410 -7.284 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.655 -8.443 -8.363 1.00 0.00 H new ATOM 445 N ALA A 29 4.795 -11.427 -4.197 1.00 0.00 N ATOM 446 CA ALA A 29 5.043 -12.599 -3.411 1.00 0.00 C ATOM 447 C ALA A 29 5.089 -13.848 -4.257 1.00 0.00 C ATOM 448 O ALA A 29 4.044 -14.448 -4.561 1.00 0.00 O ATOM 449 CB ALA A 29 4.030 -12.749 -2.290 1.00 0.00 C ATOM 0 H ALA A 29 3.899 -11.422 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 29 6.027 -12.467 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.252 -13.649 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.081 -11.880 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.028 -12.826 -2.713 1.00 0.00 H new ATOM 455 N PRO A 30 6.283 -14.227 -4.719 1.00 0.00 N ATOM 456 CA PRO A 30 6.485 -15.476 -5.397 1.00 0.00 C ATOM 457 C PRO A 30 6.659 -16.570 -4.357 1.00 0.00 C ATOM 458 O PRO A 30 6.743 -16.287 -3.148 1.00 0.00 O ATOM 459 CB PRO A 30 7.793 -15.276 -6.184 1.00 0.00 C ATOM 460 CG PRO A 30 8.251 -13.885 -5.871 1.00 0.00 C ATOM 461 CD PRO A 30 7.525 -13.468 -4.633 1.00 0.00 C ATOM 0 HA PRO A 30 5.656 -15.758 -6.047 1.00 0.00 H new ATOM 0 HB2 PRO A 30 8.543 -16.010 -5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.628 -15.402 -7.254 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.330 -13.857 -5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.030 -13.209 -6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.087 -13.713 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.342 -12.394 -4.613 1.00 0.00 H new ATOM 469 N LYS A 31 6.726 -17.784 -4.797 1.00 0.00 N ATOM 470 CA LYS A 31 6.879 -18.892 -3.895 1.00 0.00 C ATOM 471 C LYS A 31 8.274 -18.897 -3.280 1.00 0.00 C ATOM 472 O LYS A 31 9.262 -18.548 -3.953 1.00 0.00 O ATOM 473 CB LYS A 31 6.556 -20.201 -4.606 1.00 0.00 C ATOM 474 CG LYS A 31 5.108 -20.266 -5.068 1.00 0.00 C ATOM 475 CD LYS A 31 4.824 -21.492 -5.898 1.00 0.00 C ATOM 476 CE LYS A 31 3.351 -21.554 -6.280 1.00 0.00 C ATOM 477 NZ LYS A 31 3.037 -22.702 -7.158 1.00 0.00 N ATOM 0 H LYS A 31 6.677 -18.041 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 31 6.170 -18.784 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.215 -20.316 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.759 -21.036 -3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.451 -20.259 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.875 -19.374 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.438 -21.478 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.098 -22.387 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.747 -21.619 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.071 -20.629 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.023 -22.696 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.591 -22.630 -8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.277 -23.588 -6.670 1.00 0.00 H new ATOM 491 N GLY A 32 8.337 -19.206 -2.000 1.00 0.00 N ATOM 492 CA GLY A 32 9.600 -19.254 -1.301 1.00 0.00 C ATOM 493 C GLY A 32 10.037 -17.880 -0.837 1.00 0.00 C ATOM 494 O GLY A 32 11.241 -17.573 -0.799 1.00 0.00 O ATOM 0 H GLY A 32 7.525 -19.428 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.515 -19.918 -0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.362 -19.676 -1.956 1.00 0.00 H new ATOM 498 N ARG A 33 9.069 -17.042 -0.509 1.00 0.00 N ATOM 499 CA ARG A 33 9.326 -15.700 -0.045 1.00 0.00 C ATOM 500 C ARG A 33 8.123 -15.254 0.768 1.00 0.00 C ATOM 501 O ARG A 33 7.019 -15.773 0.557 1.00 0.00 O ATOM 502 CB ARG A 33 9.493 -14.757 -1.248 1.00 0.00 C ATOM 503 CG ARG A 33 10.080 -13.401 -0.901 1.00 0.00 C ATOM 504 CD ARG A 33 10.080 -12.449 -2.088 1.00 0.00 C ATOM 505 NE ARG A 33 10.754 -13.011 -3.269 1.00 0.00 N ATOM 506 CZ ARG A 33 11.318 -12.298 -4.254 1.00 0.00 C ATOM 507 NH1 ARG A 33 11.431 -10.972 -4.163 1.00 0.00 N ATOM 508 NH2 ARG A 33 11.799 -12.920 -5.309 1.00 0.00 N ATOM 0 H ARG A 33 8.078 -17.280 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 33 10.235 -15.676 0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.133 -15.239 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.520 -14.610 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.509 -12.959 -0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.101 -13.531 -0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.051 -12.199 -2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.572 -11.519 -1.802 1.00 0.00 H new ATOM 0 HE ARG A 33 10.795 -14.027 -3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.086 -10.486 -3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.863 -10.444 -4.921 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.741 -13.936 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.230 -12.386 -6.064 1.00 0.00 H new ATOM 522 N LYS A 34 8.318 -14.330 1.697 1.00 0.00 N ATOM 523 CA LYS A 34 7.203 -13.776 2.450 1.00 0.00 C ATOM 524 C LYS A 34 6.380 -12.916 1.509 1.00 0.00 C ATOM 525 O LYS A 34 5.155 -12.993 1.472 1.00 0.00 O ATOM 526 CB LYS A 34 7.703 -12.924 3.636 1.00 0.00 C ATOM 527 CG LYS A 34 6.584 -12.315 4.494 1.00 0.00 C ATOM 528 CD LYS A 34 5.794 -13.367 5.273 1.00 0.00 C ATOM 529 CE LYS A 34 6.633 -13.998 6.378 1.00 0.00 C ATOM 530 NZ LYS A 34 5.893 -15.043 7.110 1.00 0.00 N ATOM 0 H LYS A 34 9.231 -13.950 1.946 1.00 0.00 H new ATOM 0 HA LYS A 34 6.600 -14.588 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.336 -13.543 4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.329 -12.119 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.017 -11.601 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.902 -11.758 3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.906 -12.907 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.449 -14.143 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.536 -14.430 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.953 -13.224 7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.502 -15.444 7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.045 -14.627 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.610 -15.795 6.450 1.00 0.00 H new ATOM 544 N GLY A 35 7.071 -12.107 0.753 1.00 0.00 N ATOM 545 CA GLY A 35 6.443 -11.276 -0.212 1.00 0.00 C ATOM 546 C GLY A 35 6.823 -9.857 -0.016 1.00 0.00 C ATOM 547 O GLY A 35 6.537 -9.274 1.035 1.00 0.00 O ATOM 0 H GLY A 35 8.086 -12.012 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.727 -11.597 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.361 -11.380 -0.138 1.00 0.00 H new ATOM 551 N VAL A 36 7.464 -9.292 -1.004 1.00 0.00 N ATOM 552 CA VAL A 36 7.902 -7.937 -0.910 1.00 0.00 C ATOM 553 C VAL A 36 6.767 -7.002 -1.242 1.00 0.00 C ATOM 554 O VAL A 36 6.167 -7.074 -2.321 1.00 0.00 O ATOM 555 CB VAL A 36 9.175 -7.632 -1.758 1.00 0.00 C ATOM 556 CG1 VAL A 36 10.364 -8.394 -1.208 1.00 0.00 C ATOM 557 CG2 VAL A 36 8.982 -7.975 -3.233 1.00 0.00 C ATOM 0 H VAL A 36 7.692 -9.756 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 36 8.205 -7.770 0.124 1.00 0.00 H new ATOM 0 HB VAL A 36 9.359 -6.560 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.247 -8.173 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.543 -8.094 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.159 -9.464 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.895 -7.745 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.756 -9.037 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.157 -7.388 -3.638 1.00 0.00 H new ATOM 567 N LYS A 37 6.432 -6.186 -0.307 1.00 0.00 N ATOM 568 CA LYS A 37 5.369 -5.251 -0.476 1.00 0.00 C ATOM 569 C LYS A 37 5.980 -3.964 -0.916 1.00 0.00 C ATOM 570 O LYS A 37 7.014 -3.591 -0.406 1.00 0.00 O ATOM 571 CB LYS A 37 4.597 -5.088 0.837 1.00 0.00 C ATOM 572 CG LYS A 37 3.911 -6.372 1.291 1.00 0.00 C ATOM 573 CD LYS A 37 3.149 -6.193 2.593 1.00 0.00 C ATOM 574 CE LYS A 37 2.411 -7.473 2.979 1.00 0.00 C ATOM 575 NZ LYS A 37 3.336 -8.607 3.225 1.00 0.00 N ATOM 0 H LYS A 37 6.889 -6.145 0.604 1.00 0.00 H new ATOM 0 HA LYS A 37 4.654 -5.595 -1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.283 -4.755 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.848 -4.306 0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.224 -6.708 0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.658 -7.155 1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.841 -5.915 3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.436 -5.375 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.818 -7.291 3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.715 -7.741 2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.786 -9.472 3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.944 -8.746 2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.927 -8.399 4.055 1.00 0.00 H new ATOM 589 N ILE A 38 5.398 -3.314 -1.876 1.00 0.00 N ATOM 590 CA ILE A 38 5.952 -2.085 -2.392 1.00 0.00 C ATOM 591 C ILE A 38 4.855 -1.051 -2.504 1.00 0.00 C ATOM 592 O ILE A 38 3.712 -1.375 -2.841 1.00 0.00 O ATOM 593 CB ILE A 38 6.658 -2.288 -3.786 1.00 0.00 C ATOM 594 CG1 ILE A 38 7.760 -3.362 -3.684 1.00 0.00 C ATOM 595 CG2 ILE A 38 7.269 -0.972 -4.287 1.00 0.00 C ATOM 596 CD1 ILE A 38 8.462 -3.671 -4.989 1.00 0.00 C ATOM 0 H ILE A 38 4.532 -3.611 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 38 6.718 -1.742 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 38 5.901 -2.618 -4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.502 -3.034 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.319 -4.281 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.750 -1.138 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.483 -0.225 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.008 -0.617 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.220 -4.436 -4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.735 -4.033 -5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.937 -2.767 -5.370 1.00 0.00 H new ATOM 608 N GLY A 39 5.180 0.156 -2.164 1.00 0.00 N ATOM 609 CA GLY A 39 4.254 1.226 -2.268 1.00 0.00 C ATOM 610 C GLY A 39 4.866 2.365 -3.009 1.00 0.00 C ATOM 611 O GLY A 39 6.093 2.538 -2.989 1.00 0.00 O ATOM 0 H GLY A 39 6.097 0.422 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.354 0.889 -2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.949 1.551 -1.273 1.00 0.00 H new ATOM 615 N LEU A 40 4.055 3.103 -3.694 1.00 0.00 N ATOM 616 CA LEU A 40 4.516 4.259 -4.407 1.00 0.00 C ATOM 617 C LEU A 40 4.289 5.478 -3.545 1.00 0.00 C ATOM 618 O LEU A 40 3.179 5.711 -3.075 1.00 0.00 O ATOM 619 CB LEU A 40 3.792 4.386 -5.750 1.00 0.00 C ATOM 620 CG LEU A 40 4.139 5.616 -6.590 1.00 0.00 C ATOM 621 CD1 LEU A 40 5.600 5.613 -6.976 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.277 5.679 -7.821 1.00 0.00 C ATOM 0 H LEU A 40 3.054 2.926 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 40 5.580 4.164 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.007 3.496 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.718 4.392 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 40 3.946 6.500 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.820 6.498 -7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.214 5.620 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.821 4.719 -7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.540 6.561 -8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.437 4.785 -8.423 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.229 5.737 -7.528 1.00 0.00 H new ATOM 634 N PHE A 41 5.316 6.220 -3.321 1.00 0.00 N ATOM 635 CA PHE A 41 5.264 7.368 -2.454 1.00 0.00 C ATOM 636 C PHE A 41 5.692 8.589 -3.198 1.00 0.00 C ATOM 637 O PHE A 41 6.125 8.508 -4.341 1.00 0.00 O ATOM 638 CB PHE A 41 6.238 7.188 -1.300 1.00 0.00 C ATOM 639 CG PHE A 41 5.983 6.012 -0.436 1.00 0.00 C ATOM 640 CD1 PHE A 41 5.069 6.086 0.582 1.00 0.00 C ATOM 641 CD2 PHE A 41 6.671 4.828 -0.634 1.00 0.00 C ATOM 642 CE1 PHE A 41 4.838 5.011 1.390 1.00 0.00 C ATOM 643 CE2 PHE A 41 6.441 3.747 0.171 1.00 0.00 C ATOM 644 CZ PHE A 41 5.524 3.840 1.186 1.00 0.00 C ATOM 0 H PHE A 41 6.233 6.053 -3.735 1.00 0.00 H new ATOM 0 HA PHE A 41 4.241 7.472 -2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.246 7.108 -1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.213 8.085 -0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.526 7.005 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.396 4.757 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.116 5.082 2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.979 2.825 0.008 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.341 2.990 1.826 1.00 0.00 H new ATOM 654 N LYS A 42 5.591 9.701 -2.548 1.00 0.00 N ATOM 655 CA LYS A 42 6.103 10.928 -3.051 1.00 0.00 C ATOM 656 C LYS A 42 6.859 11.589 -1.936 1.00 0.00 C ATOM 657 O LYS A 42 6.311 11.804 -0.852 1.00 0.00 O ATOM 658 CB LYS A 42 4.992 11.845 -3.561 1.00 0.00 C ATOM 659 CG LYS A 42 5.504 13.181 -4.085 1.00 0.00 C ATOM 660 CD LYS A 42 4.370 14.069 -4.543 1.00 0.00 C ATOM 661 CE LYS A 42 4.880 15.421 -5.006 1.00 0.00 C ATOM 662 NZ LYS A 42 3.788 16.301 -5.469 1.00 0.00 N ATOM 0 H LYS A 42 5.142 9.781 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 42 6.754 10.730 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.447 11.336 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.282 12.027 -2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.070 13.687 -3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.190 13.009 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.831 13.583 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.660 14.206 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.413 15.906 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.598 15.279 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.183 17.213 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.295 15.852 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.116 16.459 -4.691 1.00 0.00 H new ATOM 676 N ASP A 43 8.106 11.869 -2.180 1.00 0.00 N ATOM 677 CA ASP A 43 8.938 12.518 -1.195 1.00 0.00 C ATOM 678 C ASP A 43 8.602 13.996 -1.211 1.00 0.00 C ATOM 679 O ASP A 43 8.642 14.611 -2.269 1.00 0.00 O ATOM 680 CB ASP A 43 10.413 12.303 -1.524 1.00 0.00 C ATOM 681 CG ASP A 43 11.343 12.988 -0.545 1.00 0.00 C ATOM 682 OD1 ASP A 43 11.664 14.168 -0.763 1.00 0.00 O ATOM 683 OD2 ASP A 43 11.779 12.356 0.410 1.00 0.00 O ATOM 0 H ASP A 43 8.577 11.658 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 43 8.755 12.099 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.626 11.234 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.614 12.675 -2.529 1.00 0.00 H new ATOM 688 N PRO A 44 8.251 14.598 -0.069 1.00 0.00 N ATOM 689 CA PRO A 44 7.804 15.989 -0.026 1.00 0.00 C ATOM 690 C PRO A 44 8.945 16.989 -0.063 1.00 0.00 C ATOM 691 O PRO A 44 8.727 18.198 -0.175 1.00 0.00 O ATOM 692 CB PRO A 44 7.068 16.096 1.315 1.00 0.00 C ATOM 693 CG PRO A 44 7.145 14.739 1.946 1.00 0.00 C ATOM 694 CD PRO A 44 8.253 14.001 1.269 1.00 0.00 C ATOM 0 HA PRO A 44 7.192 16.225 -0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.531 16.849 1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.031 16.398 1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.335 14.822 3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.201 14.207 1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.207 14.143 1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.067 12.928 1.236 1.00 0.00 H new ATOM 702 N GLU A 45 10.143 16.506 0.042 1.00 0.00 N ATOM 703 CA GLU A 45 11.289 17.372 0.084 1.00 0.00 C ATOM 704 C GLU A 45 11.950 17.509 -1.277 1.00 0.00 C ATOM 705 O GLU A 45 12.369 18.601 -1.667 1.00 0.00 O ATOM 706 CB GLU A 45 12.254 16.927 1.170 1.00 0.00 C ATOM 707 CG GLU A 45 11.617 17.012 2.550 1.00 0.00 C ATOM 708 CD GLU A 45 12.535 16.620 3.661 1.00 0.00 C ATOM 709 OE1 GLU A 45 13.676 17.118 3.713 1.00 0.00 O ATOM 710 OE2 GLU A 45 12.116 15.865 4.556 1.00 0.00 O ATOM 0 H GLU A 45 10.358 15.511 0.101 1.00 0.00 H new ATOM 0 HA GLU A 45 10.950 18.374 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.573 15.903 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.148 17.550 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.272 18.032 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.737 16.370 2.574 1.00 0.00 H new ATOM 717 N THR A 46 12.044 16.435 -1.984 1.00 0.00 N ATOM 718 CA THR A 46 12.567 16.454 -3.323 1.00 0.00 C ATOM 719 C THR A 46 11.423 16.677 -4.318 1.00 0.00 C ATOM 720 O THR A 46 11.580 17.360 -5.335 1.00 0.00 O ATOM 721 CB THR A 46 13.322 15.145 -3.636 1.00 0.00 C ATOM 722 OG1 THR A 46 12.491 14.025 -3.307 1.00 0.00 O ATOM 723 CG2 THR A 46 14.619 15.060 -2.838 1.00 0.00 C ATOM 0 H THR A 46 11.761 15.511 -1.656 1.00 0.00 H new ATOM 0 HA THR A 46 13.279 17.275 -3.414 1.00 0.00 H new ATOM 0 HB THR A 46 13.565 15.133 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.513 13.875 -2.339 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.132 14.129 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 46 15.260 15.904 -3.094 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.393 15.087 -1.772 1.00 0.00 H new ATOM 731 N GLY A 47 10.265 16.132 -3.979 1.00 0.00 N ATOM 732 CA GLY A 47 9.091 16.280 -4.785 1.00 0.00 C ATOM 733 C GLY A 47 8.991 15.234 -5.864 1.00 0.00 C ATOM 734 O GLY A 47 8.407 15.483 -6.923 1.00 0.00 O ATOM 0 H GLY A 47 10.126 15.577 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.208 16.224 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.092 17.269 -5.243 1.00 0.00 H new ATOM 738 N LYS A 48 9.533 14.066 -5.611 1.00 0.00 N ATOM 739 CA LYS A 48 9.528 13.006 -6.605 1.00 0.00 C ATOM 740 C LYS A 48 8.771 11.776 -6.111 1.00 0.00 C ATOM 741 O LYS A 48 8.784 11.463 -4.914 1.00 0.00 O ATOM 742 CB LYS A 48 10.975 12.638 -6.998 1.00 0.00 C ATOM 743 CG LYS A 48 11.834 12.117 -5.840 1.00 0.00 C ATOM 744 CD LYS A 48 13.307 11.990 -6.221 1.00 0.00 C ATOM 745 CE LYS A 48 13.560 10.947 -7.306 1.00 0.00 C ATOM 746 NZ LYS A 48 14.975 10.964 -7.750 1.00 0.00 N ATOM 0 H LYS A 48 9.983 13.821 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 48 9.006 13.375 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.944 11.880 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.457 13.517 -7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.738 12.790 -4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.459 11.145 -5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.671 12.958 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.884 11.729 -5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.307 9.957 -6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.907 11.139 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.116 10.245 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.207 11.903 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.595 10.757 -6.941 1.00 0.00 H new ATOM 760 N TYR A 49 8.086 11.121 -7.025 1.00 0.00 N ATOM 761 CA TYR A 49 7.397 9.877 -6.747 1.00 0.00 C ATOM 762 C TYR A 49 8.376 8.736 -6.781 1.00 0.00 C ATOM 763 O TYR A 49 9.066 8.542 -7.781 1.00 0.00 O ATOM 764 CB TYR A 49 6.292 9.610 -7.772 1.00 0.00 C ATOM 765 CG TYR A 49 4.941 10.177 -7.427 1.00 0.00 C ATOM 766 CD1 TYR A 49 4.598 11.488 -7.710 1.00 0.00 C ATOM 767 CD2 TYR A 49 3.993 9.367 -6.835 1.00 0.00 C ATOM 768 CE1 TYR A 49 3.339 11.969 -7.403 1.00 0.00 C ATOM 769 CE2 TYR A 49 2.746 9.833 -6.523 1.00 0.00 C ATOM 770 CZ TYR A 49 2.418 11.130 -6.805 1.00 0.00 C ATOM 771 OH TYR A 49 1.150 11.589 -6.506 1.00 0.00 O ATOM 0 H TYR A 49 7.991 11.439 -7.989 1.00 0.00 H new ATOM 0 HA TYR A 49 6.945 9.960 -5.759 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.604 10.019 -8.733 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.193 8.532 -7.902 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.321 12.141 -8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.242 8.340 -6.613 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.077 12.992 -7.629 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.024 9.180 -6.056 1.00 0.00 H new ATOM 0 HH TYR A 49 0.745 11.011 -5.826 1.00 0.00 H new ATOM 781 N PHE A 50 8.445 7.980 -5.728 1.00 0.00 N ATOM 782 CA PHE A 50 9.362 6.873 -5.677 1.00 0.00 C ATOM 783 C PHE A 50 8.662 5.660 -5.108 1.00 0.00 C ATOM 784 O PHE A 50 7.842 5.784 -4.203 1.00 0.00 O ATOM 785 CB PHE A 50 10.607 7.224 -4.818 1.00 0.00 C ATOM 786 CG PHE A 50 10.345 7.360 -3.323 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.711 8.482 -2.802 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.743 6.356 -2.443 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.477 8.596 -1.442 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.511 6.469 -1.084 1.00 0.00 C ATOM 791 CZ PHE A 50 9.879 7.587 -0.584 1.00 0.00 C ATOM 0 H PHE A 50 7.878 8.106 -4.889 1.00 0.00 H new ATOM 0 HA PHE A 50 9.700 6.654 -6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.363 6.453 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.029 8.160 -5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.397 9.274 -3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.240 5.477 -2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.981 9.472 -1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.825 5.681 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.697 7.676 0.477 1.00 0.00 H new ATOM 801 N ARG A 51 8.929 4.512 -5.656 1.00 0.00 N ATOM 802 CA ARG A 51 8.420 3.311 -5.102 1.00 0.00 C ATOM 803 C ARG A 51 9.449 2.751 -4.147 1.00 0.00 C ATOM 804 O ARG A 51 10.663 2.800 -4.415 1.00 0.00 O ATOM 805 CB ARG A 51 8.055 2.305 -6.192 1.00 0.00 C ATOM 806 CG ARG A 51 9.209 1.813 -7.045 1.00 0.00 C ATOM 807 CD ARG A 51 8.710 0.866 -8.109 1.00 0.00 C ATOM 808 NE ARG A 51 9.776 0.396 -8.992 1.00 0.00 N ATOM 809 CZ ARG A 51 9.676 0.310 -10.332 1.00 0.00 C ATOM 810 NH1 ARG A 51 8.613 0.828 -10.963 1.00 0.00 N ATOM 811 NH2 ARG A 51 10.644 -0.268 -11.031 1.00 0.00 N ATOM 0 H ARG A 51 9.501 4.390 -6.492 1.00 0.00 H new ATOM 0 HA ARG A 51 7.499 3.520 -4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.581 1.443 -5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.311 2.760 -6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.713 2.660 -7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.945 1.310 -6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.234 0.009 -7.632 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.945 1.365 -8.704 1.00 0.00 H new ATOM 0 HE ARG A 51 10.657 0.113 -8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.877 1.289 -10.428 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.540 0.761 -11.978 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.462 -0.646 -10.553 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.570 -0.334 -12.046 1.00 0.00 H new ATOM 825 N HIS A 52 9.000 2.267 -3.046 1.00 0.00 N ATOM 826 CA HIS A 52 9.880 1.743 -2.040 1.00 0.00 C ATOM 827 C HIS A 52 9.183 0.574 -1.412 1.00 0.00 C ATOM 828 O HIS A 52 7.948 0.566 -1.339 1.00 0.00 O ATOM 829 CB HIS A 52 10.157 2.824 -0.979 1.00 0.00 C ATOM 830 CG HIS A 52 11.253 2.504 0.014 1.00 0.00 C ATOM 831 ND1 HIS A 52 11.085 1.668 1.096 1.00 0.00 N ATOM 832 CD2 HIS A 52 12.522 2.954 0.097 1.00 0.00 C ATOM 833 CE1 HIS A 52 12.190 1.628 1.794 1.00 0.00 C ATOM 834 NE2 HIS A 52 13.080 2.393 1.214 1.00 0.00 N ATOM 0 H HIS A 52 8.010 2.218 -2.807 1.00 0.00 H new ATOM 0 HA HIS A 52 10.833 1.438 -2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.415 3.751 -1.491 1.00 0.00 H new ATOM 0 HB3 HIS A 52 9.235 3.010 -0.427 1.00 0.00 H new ATOM 0 HD1 HIS A 52 10.230 1.158 1.318 1.00 0.00 H new ATOM 0 HD2 HIS A 52 13.008 3.631 -0.590 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.343 1.058 2.699 1.00 0.00 H new ATOM 843 N LYS A 53 9.934 -0.409 -0.985 1.00 0.00 N ATOM 844 CA LYS A 53 9.339 -1.550 -0.354 1.00 0.00 C ATOM 845 C LYS A 53 8.793 -1.180 1.023 1.00 0.00 C ATOM 846 O LYS A 53 9.321 -0.282 1.705 1.00 0.00 O ATOM 847 CB LYS A 53 10.292 -2.792 -0.347 1.00 0.00 C ATOM 848 CG LYS A 53 11.632 -2.657 0.411 1.00 0.00 C ATOM 849 CD LYS A 53 11.491 -2.757 1.938 1.00 0.00 C ATOM 850 CE LYS A 53 11.015 -4.135 2.407 1.00 0.00 C ATOM 851 NZ LYS A 53 11.938 -5.228 2.050 1.00 0.00 N ATOM 0 H LYS A 53 10.951 -0.439 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 53 8.484 -1.865 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.746 -3.633 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.515 -3.051 -1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.314 -3.434 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.087 -1.699 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.452 -2.534 2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.787 -1.999 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.886 -4.117 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.036 -4.340 1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.619 -6.111 2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.952 -5.347 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.895 -4.997 2.384 1.00 0.00 H new ATOM 865 N LEU A 54 7.736 -1.809 1.380 1.00 0.00 N ATOM 866 CA LEU A 54 7.083 -1.609 2.635 1.00 0.00 C ATOM 867 C LEU A 54 7.486 -2.777 3.505 1.00 0.00 C ATOM 868 O LEU A 54 8.050 -3.744 2.994 1.00 0.00 O ATOM 869 CB LEU A 54 5.563 -1.690 2.455 1.00 0.00 C ATOM 870 CG LEU A 54 4.951 -0.982 1.259 1.00 0.00 C ATOM 871 CD1 LEU A 54 3.476 -1.285 1.174 1.00 0.00 C ATOM 872 CD2 LEU A 54 5.152 0.491 1.376 1.00 0.00 C ATOM 0 H LEU A 54 7.279 -2.504 0.790 1.00 0.00 H new ATOM 0 HA LEU A 54 7.352 -0.640 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.289 -2.743 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.098 -1.289 3.355 1.00 0.00 H new ATOM 0 HG LEU A 54 5.443 -1.340 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.048 -0.772 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.331 -2.360 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.981 -0.943 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.709 0.988 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.675 0.852 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.219 0.711 1.413 1.00 0.00 H new ATOM 884 N PRO A 55 7.206 -2.743 4.797 1.00 0.00 N ATOM 885 CA PRO A 55 7.472 -3.866 5.666 1.00 0.00 C ATOM 886 C PRO A 55 6.556 -5.024 5.273 1.00 0.00 C ATOM 887 O PRO A 55 5.405 -4.803 4.877 1.00 0.00 O ATOM 888 CB PRO A 55 7.110 -3.332 7.067 1.00 0.00 C ATOM 889 CG PRO A 55 7.071 -1.849 6.903 1.00 0.00 C ATOM 890 CD PRO A 55 6.576 -1.642 5.519 1.00 0.00 C ATOM 0 HA PRO A 55 8.497 -4.234 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.148 -3.720 7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.851 -3.630 7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.409 -1.386 7.635 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.058 -1.408 7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.488 -1.689 5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.873 -0.672 5.121 1.00 0.00 H new ATOM 898 N ASP A 56 7.038 -6.235 5.348 1.00 0.00 N ATOM 899 CA ASP A 56 6.231 -7.374 5.002 1.00 0.00 C ATOM 900 C ASP A 56 5.189 -7.640 6.067 1.00 0.00 C ATOM 901 O ASP A 56 4.206 -8.340 5.826 1.00 0.00 O ATOM 902 CB ASP A 56 7.076 -8.625 4.704 1.00 0.00 C ATOM 903 CG ASP A 56 8.015 -9.057 5.815 1.00 0.00 C ATOM 904 OD1 ASP A 56 7.607 -9.825 6.711 1.00 0.00 O ATOM 905 OD2 ASP A 56 9.210 -8.683 5.767 1.00 0.00 O ATOM 0 H ASP A 56 7.987 -6.459 5.646 1.00 0.00 H new ATOM 0 HA ASP A 56 5.710 -7.131 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.403 -9.452 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.665 -8.439 3.806 1.00 0.00 H new ATOM 910 N ASP A 57 5.391 -7.031 7.214 1.00 0.00 N ATOM 911 CA ASP A 57 4.482 -7.126 8.356 1.00 0.00 C ATOM 912 C ASP A 57 3.418 -6.003 8.300 1.00 0.00 C ATOM 913 O ASP A 57 2.516 -5.936 9.132 1.00 0.00 O ATOM 914 CB ASP A 57 5.317 -7.010 9.643 1.00 0.00 C ATOM 915 CG ASP A 57 4.548 -7.224 10.937 1.00 0.00 C ATOM 916 OD1 ASP A 57 4.456 -8.387 11.399 1.00 0.00 O ATOM 917 OD2 ASP A 57 4.094 -6.237 11.553 1.00 0.00 O ATOM 0 H ASP A 57 6.205 -6.442 7.392 1.00 0.00 H new ATOM 0 HA ASP A 57 3.956 -8.081 8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.128 -7.737 9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.776 -6.022 9.671 1.00 0.00 H new ATOM 922 N TYR A 58 3.517 -5.152 7.298 1.00 0.00 N ATOM 923 CA TYR A 58 2.627 -4.014 7.142 1.00 0.00 C ATOM 924 C TYR A 58 1.299 -4.436 6.488 1.00 0.00 C ATOM 925 O TYR A 58 1.304 -5.180 5.497 1.00 0.00 O ATOM 926 CB TYR A 58 3.347 -2.965 6.301 1.00 0.00 C ATOM 927 CG TYR A 58 2.575 -1.715 5.981 1.00 0.00 C ATOM 928 CD1 TYR A 58 2.347 -0.747 6.946 1.00 0.00 C ATOM 929 CD2 TYR A 58 2.088 -1.497 4.705 1.00 0.00 C ATOM 930 CE1 TYR A 58 1.650 0.403 6.645 1.00 0.00 C ATOM 931 CE2 TYR A 58 1.397 -0.350 4.394 1.00 0.00 C ATOM 932 CZ TYR A 58 1.180 0.594 5.364 1.00 0.00 C ATOM 933 OH TYR A 58 0.500 1.734 5.050 1.00 0.00 O ATOM 0 H TYR A 58 4.221 -5.229 6.564 1.00 0.00 H new ATOM 0 HA TYR A 58 2.378 -3.599 8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.260 -2.678 6.823 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.649 -3.429 5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.721 -0.896 7.948 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.253 -2.241 3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.474 1.148 7.407 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.027 -0.194 3.391 1.00 0.00 H new ATOM 0 HH TYR A 58 0.240 1.710 4.105 1.00 0.00 H new ATOM 943 N PRO A 59 0.146 -3.982 7.039 1.00 0.00 N ATOM 944 CA PRO A 59 -1.156 -4.311 6.502 1.00 0.00 C ATOM 945 C PRO A 59 -1.505 -3.472 5.284 1.00 0.00 C ATOM 946 O PRO A 59 -1.798 -2.262 5.400 1.00 0.00 O ATOM 947 CB PRO A 59 -2.136 -3.998 7.645 1.00 0.00 C ATOM 948 CG PRO A 59 -1.305 -3.509 8.786 1.00 0.00 C ATOM 949 CD PRO A 59 0.025 -3.121 8.218 1.00 0.00 C ATOM 0 HA PRO A 59 -1.191 -5.349 6.171 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.861 -3.243 7.340 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.701 -4.886 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.780 -2.658 9.273 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.191 -4.286 9.542 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.057 -2.065 7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.833 -3.294 8.929 1.00 0.00 H new ATOM 957 N ILE A 60 -1.454 -4.080 4.129 1.00 0.00 N ATOM 958 CA ILE A 60 -1.793 -3.401 2.915 1.00 0.00 C ATOM 959 C ILE A 60 -3.247 -3.633 2.561 1.00 0.00 C ATOM 960 O ILE A 60 -4.048 -2.738 2.775 1.00 0.00 O ATOM 961 CB ILE A 60 -0.831 -3.717 1.730 1.00 0.00 C ATOM 962 CG1 ILE A 60 -0.697 -5.224 1.463 1.00 0.00 C ATOM 963 CG2 ILE A 60 0.528 -3.116 2.012 1.00 0.00 C ATOM 964 CD1 ILE A 60 0.158 -5.550 0.250 1.00 0.00 C ATOM 965 OXT ILE A 60 -3.623 -4.741 2.151 1.00 0.00 O ATOM 0 H ILE A 60 -1.178 -5.054 4.007 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.657 -2.336 3.102 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.260 -3.274 0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.266 -5.704 2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.690 -5.650 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.202 -3.336 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.432 -2.036 2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.931 -3.542 2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.209 -6.631 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.284 -5.099 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.163 -5.154 0.396 1.00 0.00 H new