USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 459 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot -44:sc= 1.58 USER MOD Set 1.2: A 23 TYR OH : rot -30:sc= 0.907 USER MOD Set 2.1: A 12 LYS NZ :NH3+ -175:sc= 2.34 (180deg=1.09) USER MOD Set 2.2: A 15 TYR OH : rot 30:sc= 1.12 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= 1.18 (180deg=1.16) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.26) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= 1.62 (180deg=1.15) USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= 0.771 (180deg=-0.477!) USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0.931) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.52 K(o=1.5,f=-4.3!) USER MOD Single : A 60 GLN : amide:sc= 1.21 K(o=1.2,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 17.423 -48.051 -2.224 1.00 0.00 N ATOM 101 CA ILE A 6 17.341 -48.291 -3.688 1.00 0.00 C ATOM 102 C ILE A 6 17.732 -49.747 -3.986 1.00 0.00 C ATOM 103 O ILE A 6 17.033 -50.416 -4.744 1.00 0.00 O ATOM 104 CB ILE A 6 18.231 -47.396 -4.610 1.00 0.00 C ATOM 105 CG1 ILE A 6 18.233 -45.926 -4.189 1.00 0.00 C ATOM 106 CG2 ILE A 6 17.766 -47.503 -6.119 1.00 0.00 C ATOM 107 CD1 ILE A 6 19.578 -45.270 -4.502 1.00 0.00 C ATOM 0 HA ILE A 6 16.307 -48.040 -3.925 1.00 0.00 H new ATOM 0 HB ILE A 6 19.248 -47.775 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.435 -45.394 -4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 6 18.026 -45.849 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.400 -46.871 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 6 17.846 -48.538 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.731 -47.174 -6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.554 -44.225 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 6 20.370 -45.789 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 6 19.770 -45.327 -5.573 1.00 0.00 H new ATOM 119 N GLU A 7 18.822 -50.234 -3.366 1.00 0.00 N ATOM 120 CA GLU A 7 19.229 -51.635 -3.453 1.00 0.00 C ATOM 121 C GLU A 7 18.129 -52.584 -2.939 1.00 0.00 C ATOM 122 O GLU A 7 17.639 -53.354 -3.750 1.00 0.00 O ATOM 123 CB GLU A 7 20.568 -51.822 -2.701 1.00 0.00 C ATOM 124 CG GLU A 7 21.207 -53.234 -2.871 1.00 0.00 C ATOM 125 CD GLU A 7 22.526 -53.359 -2.107 1.00 0.00 C ATOM 126 OE1 GLU A 7 22.491 -53.636 -0.904 1.00 0.00 O ATOM 127 OE2 GLU A 7 23.576 -53.184 -2.715 1.00 0.00 O ATOM 0 H GLU A 7 19.441 -49.661 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 7 19.380 -51.899 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 7 21.276 -51.071 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 7 20.404 -51.635 -1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.509 -53.993 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.381 -53.429 -3.929 1.00 0.00 H new ATOM 134 N GLU A 8 17.646 -52.558 -1.689 1.00 0.00 N ATOM 135 CA GLU A 8 16.652 -53.527 -1.198 1.00 0.00 C ATOM 136 C GLU A 8 15.258 -53.415 -1.866 1.00 0.00 C ATOM 137 O GLU A 8 14.505 -54.389 -1.827 1.00 0.00 O ATOM 138 CB GLU A 8 16.606 -53.384 0.357 1.00 0.00 C ATOM 139 CG GLU A 8 15.878 -54.507 1.180 1.00 0.00 C ATOM 140 CD GLU A 8 14.376 -54.290 1.419 1.00 0.00 C ATOM 141 OE1 GLU A 8 13.964 -53.187 1.790 1.00 0.00 O ATOM 142 OE2 GLU A 8 13.613 -55.251 1.291 1.00 0.00 O ATOM 0 H GLU A 8 17.930 -51.870 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 8 16.963 -54.533 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.633 -53.319 0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.125 -52.434 0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.011 -55.456 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.371 -54.601 2.147 1.00 0.00 H new ATOM 149 N GLU A 9 14.858 -52.291 -2.487 1.00 0.00 N ATOM 150 CA GLU A 9 13.675 -52.273 -3.358 1.00 0.00 C ATOM 151 C GLU A 9 14.010 -52.694 -4.806 1.00 0.00 C ATOM 152 O GLU A 9 13.480 -53.700 -5.274 1.00 0.00 O ATOM 153 CB GLU A 9 12.961 -50.898 -3.291 1.00 0.00 C ATOM 154 CG GLU A 9 12.558 -50.452 -1.840 1.00 0.00 C ATOM 155 CD GLU A 9 11.560 -51.347 -1.093 1.00 0.00 C ATOM 156 OE1 GLU A 9 10.699 -51.987 -1.694 1.00 0.00 O ATOM 157 OE2 GLU A 9 11.640 -51.386 0.141 1.00 0.00 O ATOM 0 H GLU A 9 15.333 -51.392 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 9 12.977 -53.021 -2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.614 -50.140 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.064 -50.936 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.466 -50.383 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.137 -49.448 -1.898 1.00 0.00 H new ATOM 164 N ALA A 10 14.855 -51.962 -5.547 1.00 0.00 N ATOM 165 CA ALA A 10 15.264 -52.328 -6.914 1.00 0.00 C ATOM 166 C ALA A 10 16.270 -53.503 -7.084 1.00 0.00 C ATOM 167 O ALA A 10 16.676 -53.766 -8.217 1.00 0.00 O ATOM 168 CB ALA A 10 15.728 -51.033 -7.618 1.00 0.00 C ATOM 0 H ALA A 10 15.277 -51.095 -5.214 1.00 0.00 H new ATOM 0 HA ALA A 10 14.386 -52.763 -7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.040 -51.264 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.906 -50.318 -7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.566 -50.602 -7.071 1.00 0.00 H new ATOM 174 N ALA A 11 16.769 -54.219 -6.065 1.00 0.00 N ATOM 175 CA ALA A 11 17.249 -55.603 -6.225 1.00 0.00 C ATOM 176 C ALA A 11 16.085 -56.606 -6.298 1.00 0.00 C ATOM 177 O ALA A 11 15.975 -57.418 -7.220 1.00 0.00 O ATOM 178 CB ALA A 11 18.214 -55.982 -5.072 1.00 0.00 C ATOM 0 H ALA A 11 16.852 -53.860 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 11 17.789 -55.653 -7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.558 -57.007 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.071 -55.308 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.693 -55.897 -4.119 1.00 0.00 H new ATOM 184 N LYS A 12 15.179 -56.500 -5.321 1.00 0.00 N ATOM 185 CA LYS A 12 14.027 -57.379 -5.179 1.00 0.00 C ATOM 186 C LYS A 12 12.881 -56.969 -6.130 1.00 0.00 C ATOM 187 O LYS A 12 11.820 -56.483 -5.729 1.00 0.00 O ATOM 188 CB LYS A 12 13.561 -57.354 -3.709 1.00 0.00 C ATOM 189 CG LYS A 12 14.474 -58.039 -2.666 1.00 0.00 C ATOM 190 CD LYS A 12 13.789 -57.765 -1.323 1.00 0.00 C ATOM 191 CE LYS A 12 14.326 -58.403 -0.058 1.00 0.00 C ATOM 192 NZ LYS A 12 13.485 -57.866 1.016 1.00 0.00 N ATOM 0 H LYS A 12 15.232 -55.785 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 12 14.317 -58.393 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.432 -56.313 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.579 -57.824 -3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.562 -59.109 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.483 -57.627 -2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.794 -56.686 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.747 -58.068 -1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.262 -59.490 -0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.375 -58.152 0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.845 -58.193 1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.505 -56.827 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.507 -58.197 0.890 1.00 0.00 H new ATOM 206 N TYR A 13 13.118 -57.203 -7.427 1.00 0.00 N ATOM 207 CA TYR A 13 12.124 -57.046 -8.501 1.00 0.00 C ATOM 208 C TYR A 13 10.801 -57.836 -8.318 1.00 0.00 C ATOM 209 O TYR A 13 9.846 -57.641 -9.072 1.00 0.00 O ATOM 210 CB TYR A 13 12.810 -57.371 -9.861 1.00 0.00 C ATOM 211 CG TYR A 13 13.461 -56.146 -10.543 1.00 0.00 C ATOM 212 CD1 TYR A 13 14.123 -55.127 -9.864 1.00 0.00 C ATOM 213 CD2 TYR A 13 13.396 -56.025 -11.924 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.678 -54.058 -10.539 1.00 0.00 C ATOM 215 CE2 TYR A 13 13.948 -54.953 -12.601 1.00 0.00 C ATOM 216 CZ TYR A 13 14.589 -53.963 -11.900 1.00 0.00 C ATOM 217 OH TYR A 13 15.107 -52.870 -12.526 1.00 0.00 O ATOM 0 H TYR A 13 14.027 -57.514 -7.769 1.00 0.00 H new ATOM 0 HA TYR A 13 11.793 -56.008 -8.469 1.00 0.00 H new ATOM 0 HB2 TYR A 13 13.573 -58.132 -9.699 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.070 -57.800 -10.537 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.204 -55.173 -8.788 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.896 -56.796 -12.491 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.190 -53.286 -9.984 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.875 -54.895 -13.677 1.00 0.00 H new ATOM 0 HH TYR A 13 14.855 -52.061 -12.034 1.00 0.00 H new ATOM 227 N LYS A 14 10.740 -58.737 -7.326 1.00 0.00 N ATOM 228 CA LYS A 14 9.498 -59.264 -6.750 1.00 0.00 C ATOM 229 C LYS A 14 8.617 -58.174 -6.096 1.00 0.00 C ATOM 230 O LYS A 14 7.389 -58.289 -6.124 1.00 0.00 O ATOM 231 CB LYS A 14 9.851 -60.355 -5.707 1.00 0.00 C ATOM 232 CG LYS A 14 10.538 -61.591 -6.327 1.00 0.00 C ATOM 233 CD LYS A 14 10.898 -62.628 -5.249 1.00 0.00 C ATOM 234 CE LYS A 14 11.595 -63.839 -5.863 1.00 0.00 C ATOM 235 NZ LYS A 14 11.903 -64.764 -4.782 1.00 0.00 N ATOM 0 H LYS A 14 11.576 -59.128 -6.892 1.00 0.00 H new ATOM 0 HA LYS A 14 8.911 -59.683 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.506 -59.925 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.940 -60.671 -5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.877 -62.045 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.441 -61.282 -6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.547 -62.171 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.994 -62.948 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.953 -64.316 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.506 -63.536 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.380 -65.603 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.527 -64.297 -4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.022 -65.053 -4.311 1.00 0.00 H new ATOM 249 N TYR A 15 9.183 -57.096 -5.519 1.00 0.00 N ATOM 250 CA TYR A 15 8.411 -55.945 -5.028 1.00 0.00 C ATOM 251 C TYR A 15 8.094 -54.988 -6.204 1.00 0.00 C ATOM 252 O TYR A 15 8.444 -53.802 -6.215 1.00 0.00 O ATOM 253 CB TYR A 15 9.195 -55.193 -3.907 1.00 0.00 C ATOM 254 CG TYR A 15 9.533 -55.980 -2.627 1.00 0.00 C ATOM 255 CD1 TYR A 15 9.032 -57.235 -2.305 1.00 0.00 C ATOM 256 CD2 TYR A 15 10.440 -55.422 -1.744 1.00 0.00 C ATOM 257 CE1 TYR A 15 9.438 -57.907 -1.166 1.00 0.00 C ATOM 258 CE2 TYR A 15 10.851 -56.085 -0.608 1.00 0.00 C ATOM 259 CZ TYR A 15 10.360 -57.333 -0.324 1.00 0.00 C ATOM 260 OH TYR A 15 10.854 -58.009 0.752 1.00 0.00 O ATOM 0 H TYR A 15 10.189 -57.002 -5.382 1.00 0.00 H new ATOM 0 HA TYR A 15 7.475 -56.305 -4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 15 10.129 -54.830 -4.335 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.614 -54.317 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.308 -57.697 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.837 -54.439 -1.951 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.031 -58.881 -0.939 1.00 0.00 H new ATOM 0 HE2 TYR A 15 11.561 -55.620 0.060 1.00 0.00 H new ATOM 0 HH TYR A 15 10.862 -58.970 0.559 1.00 0.00 H new ATOM 270 N ALA A 16 7.351 -55.545 -7.172 1.00 0.00 N ATOM 271 CA ALA A 16 7.179 -55.003 -8.522 1.00 0.00 C ATOM 272 C ALA A 16 6.687 -53.544 -8.599 1.00 0.00 C ATOM 273 O ALA A 16 7.336 -52.707 -9.240 1.00 0.00 O ATOM 274 CB ALA A 16 6.238 -55.954 -9.292 1.00 0.00 C ATOM 0 H ALA A 16 6.837 -56.414 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 16 8.168 -54.955 -8.977 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.089 -55.578 -10.304 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.682 -56.948 -9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.277 -56.008 -8.780 1.00 0.00 H new ATOM 280 N MET A 17 5.584 -53.245 -7.902 1.00 0.00 N ATOM 281 CA MET A 17 5.002 -51.906 -7.806 1.00 0.00 C ATOM 282 C MET A 17 5.892 -50.921 -7.014 1.00 0.00 C ATOM 283 O MET A 17 5.924 -49.728 -7.318 1.00 0.00 O ATOM 284 CB MET A 17 3.601 -52.057 -7.154 1.00 0.00 C ATOM 285 CG MET A 17 2.750 -50.764 -7.166 1.00 0.00 C ATOM 286 SD MET A 17 1.126 -50.993 -6.395 1.00 0.00 S ATOM 287 CE MET A 17 0.104 -51.348 -7.847 1.00 0.00 C ATOM 0 H MET A 17 5.061 -53.946 -7.377 1.00 0.00 H new ATOM 0 HA MET A 17 4.920 -51.474 -8.803 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.054 -52.843 -7.674 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.727 -52.386 -6.122 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.289 -49.974 -6.643 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.616 -50.431 -8.195 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.927 -51.513 -7.535 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.144 -50.504 -8.535 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.479 -52.241 -8.346 1.00 0.00 H new ATOM 297 N LEU A 18 6.670 -51.414 -6.042 1.00 0.00 N ATOM 298 CA LEU A 18 7.470 -50.579 -5.144 1.00 0.00 C ATOM 299 C LEU A 18 8.828 -50.201 -5.753 1.00 0.00 C ATOM 300 O LEU A 18 9.274 -49.060 -5.603 1.00 0.00 O ATOM 301 CB LEU A 18 7.611 -51.289 -3.774 1.00 0.00 C ATOM 302 CG LEU A 18 6.251 -51.660 -3.126 1.00 0.00 C ATOM 303 CD1 LEU A 18 6.470 -52.468 -1.843 1.00 0.00 C ATOM 304 CD2 LEU A 18 5.400 -50.415 -2.826 1.00 0.00 C ATOM 0 H LEU A 18 6.761 -52.413 -5.857 1.00 0.00 H new ATOM 0 HA LEU A 18 6.951 -49.633 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.202 -52.196 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.164 -50.642 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 18 5.705 -52.270 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.505 -52.719 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.011 -53.384 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.049 -51.876 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.457 -50.720 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.939 -49.763 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.201 -49.878 -3.754 1.00 0.00 H new ATOM 316 N LYS A 19 9.498 -51.120 -6.461 1.00 0.00 N ATOM 317 CA LYS A 19 10.586 -50.723 -7.354 1.00 0.00 C ATOM 318 C LYS A 19 10.078 -49.900 -8.561 1.00 0.00 C ATOM 319 O LYS A 19 10.808 -49.038 -9.045 1.00 0.00 O ATOM 320 CB LYS A 19 11.416 -51.962 -7.796 1.00 0.00 C ATOM 321 CG LYS A 19 10.699 -52.986 -8.714 1.00 0.00 C ATOM 322 CD LYS A 19 11.010 -52.801 -10.219 1.00 0.00 C ATOM 323 CE LYS A 19 10.169 -53.696 -11.132 1.00 0.00 C ATOM 324 NZ LYS A 19 8.861 -53.079 -11.319 1.00 0.00 N ATOM 0 H LYS A 19 9.309 -52.122 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 19 11.249 -50.063 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.308 -51.608 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.752 -52.484 -6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.988 -53.993 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.623 -52.905 -8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.842 -51.759 -10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.066 -53.010 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.665 -53.827 -12.093 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.059 -54.687 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.192 -53.787 -11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.516 -52.714 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.941 -52.295 -11.998 1.00 0.00 H new ATOM 338 N LYS A 20 8.857 -50.109 -9.090 1.00 0.00 N ATOM 339 CA LYS A 20 8.274 -49.189 -10.075 1.00 0.00 C ATOM 340 C LYS A 20 7.929 -47.805 -9.454 1.00 0.00 C ATOM 341 O LYS A 20 7.867 -46.808 -10.184 1.00 0.00 O ATOM 342 CB LYS A 20 7.019 -49.861 -10.687 1.00 0.00 C ATOM 343 CG LYS A 20 6.536 -49.237 -12.022 1.00 0.00 C ATOM 344 CD LYS A 20 5.003 -48.998 -12.093 1.00 0.00 C ATOM 345 CE LYS A 20 4.432 -48.014 -11.051 1.00 0.00 C ATOM 346 NZ LYS A 20 5.172 -46.762 -11.133 1.00 0.00 N ATOM 0 H LYS A 20 8.262 -50.902 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 20 9.008 -48.992 -10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.233 -50.917 -10.852 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.206 -49.810 -9.963 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.048 -48.287 -12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.829 -49.891 -12.843 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.757 -48.628 -13.088 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.498 -49.957 -11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.372 -47.839 -11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.514 -48.436 -10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.818 -46.102 -10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.183 -46.945 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.044 -46.344 -12.077 1.00 0.00 H new ATOM 360 N CYS A 21 7.640 -47.709 -8.141 1.00 0.00 N ATOM 361 CA CYS A 21 7.604 -46.441 -7.396 1.00 0.00 C ATOM 362 C CYS A 21 8.991 -45.754 -7.271 1.00 0.00 C ATOM 363 O CYS A 21 9.078 -44.527 -7.401 1.00 0.00 O ATOM 364 CB CYS A 21 6.985 -46.741 -6.018 1.00 0.00 C ATOM 365 SG CYS A 21 6.448 -45.287 -5.089 1.00 0.00 S ATOM 0 H CYS A 21 7.423 -48.521 -7.564 1.00 0.00 H new ATOM 0 HA CYS A 21 6.999 -45.720 -7.946 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.129 -47.401 -6.157 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.715 -47.287 -5.420 1.00 0.00 H new ATOM 370 N CYS A 22 10.077 -46.528 -7.052 1.00 0.00 N ATOM 371 CA CYS A 22 11.464 -46.090 -7.321 1.00 0.00 C ATOM 372 C CYS A 22 11.577 -45.461 -8.700 1.00 0.00 C ATOM 373 O CYS A 22 12.022 -44.324 -8.850 1.00 0.00 O ATOM 374 CB CYS A 22 12.483 -47.236 -7.087 1.00 0.00 C ATOM 375 SG CYS A 22 14.098 -46.717 -6.435 1.00 0.00 S ATOM 0 H CYS A 22 10.016 -47.477 -6.683 1.00 0.00 H new ATOM 0 HA CYS A 22 11.722 -45.313 -6.602 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.044 -47.955 -6.395 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.641 -47.758 -8.031 1.00 0.00 H new ATOM 380 N TYR A 23 11.116 -46.171 -9.708 1.00 0.00 N ATOM 381 CA TYR A 23 11.262 -45.683 -11.062 1.00 0.00 C ATOM 382 C TYR A 23 10.294 -44.525 -11.435 1.00 0.00 C ATOM 383 O TYR A 23 10.578 -43.792 -12.383 1.00 0.00 O ATOM 384 CB TYR A 23 11.352 -46.918 -11.944 1.00 0.00 C ATOM 385 CG TYR A 23 12.462 -47.921 -11.496 1.00 0.00 C ATOM 386 CD1 TYR A 23 13.477 -47.749 -10.513 1.00 0.00 C ATOM 387 CD2 TYR A 23 12.492 -49.099 -12.221 1.00 0.00 C ATOM 388 CE1 TYR A 23 14.463 -48.712 -10.370 1.00 0.00 C ATOM 389 CE2 TYR A 23 13.473 -50.051 -12.058 1.00 0.00 C ATOM 390 CZ TYR A 23 14.465 -49.851 -11.138 1.00 0.00 C ATOM 391 OH TYR A 23 15.451 -50.775 -10.990 1.00 0.00 O ATOM 0 H TYR A 23 10.645 -47.072 -9.619 1.00 0.00 H new ATOM 0 HA TYR A 23 12.183 -45.122 -11.223 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.389 -47.428 -11.941 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.545 -46.608 -12.971 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.479 -46.873 -9.882 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.712 -49.279 -12.946 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.245 -48.564 -9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.459 -50.952 -12.654 1.00 0.00 H new ATOM 0 HH TYR A 23 16.277 -50.330 -10.708 1.00 0.00 H new ATOM 401 N ASP A 24 9.185 -44.296 -10.697 1.00 0.00 N ATOM 402 CA ASP A 24 8.511 -42.981 -10.626 1.00 0.00 C ATOM 403 C ASP A 24 9.406 -41.856 -10.068 1.00 0.00 C ATOM 404 O ASP A 24 9.391 -40.738 -10.593 1.00 0.00 O ATOM 405 CB ASP A 24 7.209 -43.013 -9.775 1.00 0.00 C ATOM 406 CG ASP A 24 6.099 -43.867 -10.370 1.00 0.00 C ATOM 407 OD1 ASP A 24 5.882 -43.849 -11.580 1.00 0.00 O ATOM 408 OD2 ASP A 24 5.436 -44.570 -9.605 1.00 0.00 O ATOM 0 H ASP A 24 8.733 -45.017 -10.135 1.00 0.00 H new ATOM 0 HA ASP A 24 8.270 -42.764 -11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.447 -43.388 -8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.843 -41.994 -9.652 1.00 0.00 H new ATOM 413 N GLY A 25 10.142 -42.132 -8.980 1.00 0.00 N ATOM 414 CA GLY A 25 11.185 -41.231 -8.466 1.00 0.00 C ATOM 415 C GLY A 25 12.320 -40.948 -9.459 1.00 0.00 C ATOM 416 O GLY A 25 12.765 -39.806 -9.561 1.00 0.00 O ATOM 0 H GLY A 25 10.031 -42.985 -8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.724 -40.286 -8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.610 -41.665 -7.561 1.00 0.00 H new ATOM 420 N ALA A 26 12.793 -41.981 -10.173 1.00 0.00 N ATOM 421 CA ALA A 26 13.763 -41.832 -11.265 1.00 0.00 C ATOM 422 C ALA A 26 13.228 -41.017 -12.463 1.00 0.00 C ATOM 423 O ALA A 26 13.964 -40.180 -12.994 1.00 0.00 O ATOM 424 CB ALA A 26 14.263 -43.213 -11.725 1.00 0.00 C ATOM 0 H ALA A 26 12.511 -42.947 -10.007 1.00 0.00 H new ATOM 0 HA ALA A 26 14.596 -41.257 -10.861 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.982 -43.088 -12.535 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.743 -43.723 -10.890 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.419 -43.807 -12.077 1.00 0.00 H new ATOM 430 N TYR A 27 11.977 -41.216 -12.914 1.00 0.00 N ATOM 431 CA TYR A 27 11.343 -40.344 -13.914 1.00 0.00 C ATOM 432 C TYR A 27 10.980 -38.937 -13.378 1.00 0.00 C ATOM 433 O TYR A 27 9.817 -38.556 -13.186 1.00 0.00 O ATOM 434 CB TYR A 27 10.121 -41.056 -14.558 1.00 0.00 C ATOM 435 CG TYR A 27 10.569 -42.010 -15.673 1.00 0.00 C ATOM 436 CD1 TYR A 27 10.717 -41.560 -16.975 1.00 0.00 C ATOM 437 CD2 TYR A 27 10.841 -43.343 -15.424 1.00 0.00 C ATOM 438 CE1 TYR A 27 11.124 -42.406 -17.989 1.00 0.00 C ATOM 439 CE2 TYR A 27 11.248 -44.196 -16.430 1.00 0.00 C ATOM 440 CZ TYR A 27 11.388 -43.726 -17.711 1.00 0.00 C ATOM 441 OH TYR A 27 11.789 -44.575 -18.691 1.00 0.00 O ATOM 0 H TYR A 27 11.382 -41.981 -12.597 1.00 0.00 H new ATOM 0 HA TYR A 27 12.089 -40.163 -14.688 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.575 -41.612 -13.796 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.434 -40.313 -14.964 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.510 -40.525 -17.203 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.732 -43.725 -14.420 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.234 -42.032 -18.996 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.456 -45.232 -16.209 1.00 0.00 H new ATOM 0 HH TYR A 27 11.931 -45.468 -18.313 1.00 0.00 H new ATOM 451 N ARG A 28 12.034 -38.153 -13.118 1.00 0.00 N ATOM 452 CA ARG A 28 11.922 -36.743 -12.749 1.00 0.00 C ATOM 453 C ARG A 28 11.924 -35.833 -13.998 1.00 0.00 C ATOM 454 O ARG A 28 12.950 -35.337 -14.480 1.00 0.00 O ATOM 455 CB ARG A 28 13.056 -36.451 -11.754 1.00 0.00 C ATOM 456 CG ARG A 28 13.025 -35.048 -11.124 1.00 0.00 C ATOM 457 CD ARG A 28 13.900 -35.034 -9.861 1.00 0.00 C ATOM 458 NE ARG A 28 13.963 -33.699 -9.262 1.00 0.00 N ATOM 459 CZ ARG A 28 12.964 -33.023 -8.772 1.00 0.00 C ATOM 460 NH1 ARG A 28 11.802 -33.495 -8.534 1.00 0.00 N ATOM 461 NH2 ARG A 28 13.155 -31.809 -8.449 1.00 0.00 N ATOM 0 H ARG A 28 12.997 -38.487 -13.159 1.00 0.00 H new ATOM 0 HA ARG A 28 10.969 -36.526 -12.266 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.018 -37.192 -10.956 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.010 -36.582 -12.265 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.387 -34.309 -11.838 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.001 -34.773 -10.873 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.501 -35.741 -9.134 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.907 -35.369 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 28 14.880 -33.255 -9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.600 -34.475 -8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.076 -32.892 -8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.075 -31.386 -8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.389 -31.257 -8.063 1.00 0.00 H new ATOM 475 N ASN A 29 10.721 -35.694 -14.566 1.00 0.00 N ATOM 476 CA ASN A 29 10.487 -34.878 -15.758 1.00 0.00 C ATOM 477 C ASN A 29 9.816 -33.513 -15.498 1.00 0.00 C ATOM 478 O ASN A 29 9.940 -32.628 -16.343 1.00 0.00 O ATOM 479 CB ASN A 29 9.647 -35.714 -16.763 1.00 0.00 C ATOM 480 CG ASN A 29 10.427 -36.929 -17.268 1.00 0.00 C ATOM 481 OD1 ASN A 29 10.226 -38.054 -16.830 1.00 0.00 O ATOM 482 ND2 ASN A 29 11.340 -36.769 -18.206 1.00 0.00 N ATOM 0 H ASN A 29 9.880 -36.147 -14.209 1.00 0.00 H new ATOM 0 HA ASN A 29 11.467 -34.624 -16.162 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.726 -36.045 -16.283 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.359 -35.088 -17.608 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.862 -37.574 -18.552 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.524 -35.840 -18.585 1.00 0.00 H new ATOM 489 N ASP A 30 9.078 -33.327 -14.391 1.00 0.00 N ATOM 490 CA ASP A 30 8.384 -32.070 -14.077 1.00 0.00 C ATOM 491 C ASP A 30 9.271 -30.911 -13.536 1.00 0.00 C ATOM 492 O ASP A 30 9.936 -30.231 -14.317 1.00 0.00 O ATOM 493 CB ASP A 30 7.095 -32.367 -13.229 1.00 0.00 C ATOM 494 CG ASP A 30 7.389 -33.164 -11.958 1.00 0.00 C ATOM 495 OD1 ASP A 30 7.723 -32.540 -10.950 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.351 -34.396 -12.003 1.00 0.00 O ATOM 0 H ASP A 30 8.946 -34.051 -13.685 1.00 0.00 H new ATOM 0 HA ASP A 30 8.070 -31.646 -15.031 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.619 -31.424 -12.959 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.383 -32.920 -13.842 1.00 0.00 H new ATOM 501 N ASP A 31 9.308 -30.673 -12.212 1.00 0.00 N ATOM 502 CA ASP A 31 9.862 -29.469 -11.572 1.00 0.00 C ATOM 503 C ASP A 31 9.842 -29.534 -10.025 1.00 0.00 C ATOM 504 O ASP A 31 10.745 -29.013 -9.371 1.00 0.00 O ATOM 505 CB ASP A 31 9.102 -28.175 -12.049 1.00 0.00 C ATOM 506 CG ASP A 31 7.613 -28.165 -11.693 1.00 0.00 C ATOM 507 OD1 ASP A 31 6.840 -28.899 -12.304 1.00 0.00 O ATOM 508 OD2 ASP A 31 7.244 -27.420 -10.790 1.00 0.00 O ATOM 0 H ASP A 31 8.939 -31.340 -11.534 1.00 0.00 H new ATOM 0 HA ASP A 31 10.905 -29.423 -11.885 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.578 -27.301 -11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.208 -28.081 -13.130 1.00 0.00 H new ATOM 513 N GLU A 32 8.809 -30.171 -9.449 1.00 0.00 N ATOM 514 CA GLU A 32 8.496 -30.148 -8.015 1.00 0.00 C ATOM 515 C GLU A 32 9.512 -30.854 -7.092 1.00 0.00 C ATOM 516 O GLU A 32 10.316 -31.673 -7.544 1.00 0.00 O ATOM 517 CB GLU A 32 7.120 -30.822 -7.841 1.00 0.00 C ATOM 518 CG GLU A 32 5.957 -30.015 -8.479 1.00 0.00 C ATOM 519 CD GLU A 32 4.632 -30.742 -8.287 1.00 0.00 C ATOM 520 OE1 GLU A 32 3.964 -30.527 -7.276 1.00 0.00 O ATOM 521 OE2 GLU A 32 4.267 -31.564 -9.126 1.00 0.00 O ATOM 0 H GLU A 32 8.150 -30.733 -9.987 1.00 0.00 H new ATOM 0 HA GLU A 32 8.520 -29.102 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.151 -31.816 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.920 -30.956 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.903 -29.025 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.148 -29.870 -9.542 1.00 0.00 H new ATOM 528 N THR A 33 9.482 -30.584 -5.777 1.00 0.00 N ATOM 529 CA THR A 33 10.378 -31.275 -4.832 1.00 0.00 C ATOM 530 C THR A 33 9.830 -32.653 -4.401 1.00 0.00 C ATOM 531 O THR A 33 8.616 -32.883 -4.363 1.00 0.00 O ATOM 532 CB THR A 33 10.807 -30.391 -3.633 1.00 0.00 C ATOM 533 OG1 THR A 33 11.744 -31.118 -2.854 1.00 0.00 O ATOM 534 CG2 THR A 33 9.711 -29.980 -2.656 1.00 0.00 C ATOM 0 H THR A 33 8.857 -29.902 -5.347 1.00 0.00 H new ATOM 0 HA THR A 33 11.297 -31.472 -5.384 1.00 0.00 H new ATOM 0 HB THR A 33 11.183 -29.480 -4.099 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.028 -30.573 -2.091 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.141 -29.365 -1.865 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.948 -29.409 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.260 -30.871 -2.219 1.00 0.00 H new ATOM 542 N CYS A 34 10.749 -33.555 -4.025 1.00 0.00 N ATOM 543 CA CYS A 34 10.514 -35.004 -3.938 1.00 0.00 C ATOM 544 C CYS A 34 9.389 -35.410 -2.967 1.00 0.00 C ATOM 545 O CYS A 34 8.492 -36.163 -3.344 1.00 0.00 O ATOM 546 CB CYS A 34 11.829 -35.741 -3.560 1.00 0.00 C ATOM 547 SG CYS A 34 13.196 -35.580 -4.742 1.00 0.00 S ATOM 0 H CYS A 34 11.700 -33.290 -3.767 1.00 0.00 H new ATOM 0 HA CYS A 34 10.178 -35.306 -4.930 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.166 -35.369 -2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.606 -36.800 -3.435 1.00 0.00 H new ATOM 552 N GLU A 35 9.413 -34.890 -1.732 1.00 0.00 N ATOM 553 CA GLU A 35 8.385 -35.150 -0.719 1.00 0.00 C ATOM 554 C GLU A 35 7.034 -34.454 -1.011 1.00 0.00 C ATOM 555 O GLU A 35 6.009 -34.900 -0.509 1.00 0.00 O ATOM 556 CB GLU A 35 8.971 -34.721 0.663 1.00 0.00 C ATOM 557 CG GLU A 35 8.104 -35.055 1.928 1.00 0.00 C ATOM 558 CD GLU A 35 8.005 -36.552 2.237 1.00 0.00 C ATOM 559 OE1 GLU A 35 8.917 -37.079 2.881 1.00 0.00 O ATOM 560 OE2 GLU A 35 7.028 -37.181 1.847 1.00 0.00 O ATOM 0 H GLU A 35 10.155 -34.271 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 35 8.145 -36.213 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.945 -35.196 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.142 -33.645 0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.528 -34.543 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.100 -34.657 1.783 1.00 0.00 H new ATOM 567 N GLU A 36 6.971 -33.376 -1.803 1.00 0.00 N ATOM 568 CA GLU A 36 5.716 -32.758 -2.269 1.00 0.00 C ATOM 569 C GLU A 36 5.019 -33.641 -3.332 1.00 0.00 C ATOM 570 O GLU A 36 3.849 -34.039 -3.212 1.00 0.00 O ATOM 571 CB GLU A 36 6.129 -31.363 -2.808 1.00 0.00 C ATOM 572 CG GLU A 36 5.096 -30.540 -3.640 1.00 0.00 C ATOM 573 CD GLU A 36 5.733 -29.273 -4.231 1.00 0.00 C ATOM 574 OE1 GLU A 36 6.823 -29.353 -4.809 1.00 0.00 O ATOM 575 OE2 GLU A 36 5.133 -28.212 -4.097 1.00 0.00 O ATOM 0 H GLU A 36 7.804 -32.898 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 36 4.977 -32.658 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.424 -30.754 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.017 -31.498 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.699 -31.159 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.254 -30.264 -3.006 1.00 0.00 H new ATOM 582 N ARG A 37 5.837 -33.975 -4.342 1.00 0.00 N ATOM 583 CA ARG A 37 5.517 -34.926 -5.404 1.00 0.00 C ATOM 584 C ARG A 37 5.060 -36.272 -4.802 1.00 0.00 C ATOM 585 O ARG A 37 3.972 -36.761 -5.114 1.00 0.00 O ATOM 586 CB ARG A 37 6.829 -35.063 -6.229 1.00 0.00 C ATOM 587 CG ARG A 37 6.731 -35.636 -7.657 1.00 0.00 C ATOM 588 CD ARG A 37 8.150 -35.729 -8.247 1.00 0.00 C ATOM 589 NE ARG A 37 8.073 -35.978 -9.687 1.00 0.00 N ATOM 590 CZ ARG A 37 8.533 -37.005 -10.346 1.00 0.00 C ATOM 591 NH1 ARG A 37 9.112 -38.027 -9.835 1.00 0.00 N ATOM 592 NH2 ARG A 37 8.388 -36.958 -11.609 1.00 0.00 N ATOM 0 H ARG A 37 6.770 -33.574 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 37 4.693 -34.594 -6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.285 -34.075 -6.296 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.515 -35.693 -5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.264 -36.621 -7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.104 -34.997 -8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.694 -34.804 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.705 -36.531 -7.759 1.00 0.00 H new ATOM 0 HE ARG A 37 7.603 -35.262 -10.242 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.247 -38.085 -8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.438 -38.783 -10.437 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.936 -36.152 -12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.724 -37.726 -12.190 1.00 0.00 H new ATOM 606 N ALA A 38 5.848 -36.847 -3.882 1.00 0.00 N ATOM 607 CA ALA A 38 5.480 -38.070 -3.175 1.00 0.00 C ATOM 608 C ALA A 38 4.669 -37.917 -1.863 1.00 0.00 C ATOM 609 O ALA A 38 4.455 -38.899 -1.153 1.00 0.00 O ATOM 610 CB ALA A 38 6.727 -38.930 -3.079 1.00 0.00 C ATOM 0 H ALA A 38 6.757 -36.473 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 38 4.719 -38.582 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.491 -39.856 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.087 -39.162 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.500 -38.390 -2.532 1.00 0.00 H new ATOM 616 N ALA A 39 4.215 -36.718 -1.467 1.00 0.00 N ATOM 617 CA ALA A 39 2.973 -36.569 -0.701 1.00 0.00 C ATOM 618 C ALA A 39 1.734 -36.891 -1.554 1.00 0.00 C ATOM 619 O ALA A 39 0.752 -37.420 -1.029 1.00 0.00 O ATOM 620 CB ALA A 39 2.865 -35.147 -0.115 1.00 0.00 C ATOM 0 H ALA A 39 4.691 -35.838 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 39 3.007 -37.288 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.937 -35.056 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.712 -34.960 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.870 -34.418 -0.925 1.00 0.00 H new ATOM 626 N ARG A 40 1.748 -36.547 -2.855 1.00 0.00 N ATOM 627 CA ARG A 40 0.732 -37.070 -3.785 1.00 0.00 C ATOM 628 C ARG A 40 0.891 -38.579 -4.095 1.00 0.00 C ATOM 629 O ARG A 40 -0.108 -39.293 -4.196 1.00 0.00 O ATOM 630 CB ARG A 40 0.665 -36.244 -5.088 1.00 0.00 C ATOM 631 CG ARG A 40 0.298 -34.762 -4.846 1.00 0.00 C ATOM 632 CD ARG A 40 -0.219 -34.063 -6.115 1.00 0.00 C ATOM 633 NE ARG A 40 0.783 -34.112 -7.183 1.00 0.00 N ATOM 634 CZ ARG A 40 1.696 -33.216 -7.433 1.00 0.00 C ATOM 635 NH1 ARG A 40 1.963 -32.225 -6.666 1.00 0.00 N ATOM 636 NH2 ARG A 40 2.381 -33.362 -8.499 1.00 0.00 N ATOM 0 H ARG A 40 2.435 -35.923 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.218 -36.963 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.629 -36.296 -5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.071 -36.690 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.463 -34.703 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.175 -34.231 -4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.138 -34.543 -6.451 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.465 -33.026 -5.889 1.00 0.00 H new ATOM 0 HE ARG A 40 0.764 -34.930 -7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.446 -32.100 -5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.693 -31.561 -6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.203 -34.155 -9.115 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.107 -32.685 -8.736 1.00 0.00 H new ATOM 650 N ILE A 41 2.112 -39.097 -4.306 1.00 0.00 N ATOM 651 CA ILE A 41 2.396 -40.542 -4.316 1.00 0.00 C ATOM 652 C ILE A 41 2.452 -41.158 -2.896 1.00 0.00 C ATOM 653 O ILE A 41 3.455 -41.507 -2.271 1.00 0.00 O ATOM 654 CB ILE A 41 3.591 -40.942 -5.220 1.00 0.00 C ATOM 655 CG1 ILE A 41 3.405 -40.452 -6.672 1.00 0.00 C ATOM 656 CG2 ILE A 41 3.768 -42.430 -5.272 1.00 0.00 C ATOM 657 CD1 ILE A 41 4.312 -39.264 -6.847 1.00 0.00 C ATOM 0 H ILE A 41 2.936 -38.521 -4.476 1.00 0.00 H new ATOM 0 HA ILE A 41 1.531 -41.001 -4.796 1.00 0.00 H new ATOM 0 HB ILE A 41 4.467 -40.469 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.658 -41.240 -7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.367 -40.177 -6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.614 -42.674 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.954 -42.810 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.865 -42.890 -5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.216 -38.880 -7.862 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.033 -38.486 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.344 -39.565 -6.669 1.00 0.00 H new ATOM 669 N LYS A 42 1.206 -41.335 -2.494 1.00 0.00 N ATOM 670 CA LYS A 42 0.789 -41.745 -1.150 1.00 0.00 C ATOM 671 C LYS A 42 0.527 -43.259 -0.970 1.00 0.00 C ATOM 672 O LYS A 42 -0.048 -43.672 0.040 1.00 0.00 O ATOM 673 CB LYS A 42 -0.439 -40.882 -0.730 1.00 0.00 C ATOM 674 CG LYS A 42 -1.700 -41.040 -1.624 1.00 0.00 C ATOM 675 CD LYS A 42 -2.900 -40.189 -1.149 1.00 0.00 C ATOM 676 CE LYS A 42 -2.729 -38.691 -1.417 1.00 0.00 C ATOM 677 NZ LYS A 42 -3.932 -38.019 -0.949 1.00 0.00 N ATOM 0 H LYS A 42 0.414 -41.192 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 42 1.632 -41.563 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.707 -41.136 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.142 -39.833 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.448 -40.761 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.993 -42.090 -1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.804 -40.539 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.046 -40.345 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.850 -38.307 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.577 -38.507 -2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.846 -36.996 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.758 -38.387 -1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.053 -38.193 0.069 1.00 0.00 H new ATOM 691 N ILE A 43 0.977 -44.103 -1.912 1.00 0.00 N ATOM 692 CA ILE A 43 0.600 -45.525 -1.994 1.00 0.00 C ATOM 693 C ILE A 43 1.124 -46.375 -0.812 1.00 0.00 C ATOM 694 O ILE A 43 0.384 -47.218 -0.298 1.00 0.00 O ATOM 695 CB ILE A 43 1.015 -46.095 -3.399 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.307 -45.309 -4.547 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.697 -47.611 -3.542 1.00 0.00 C ATOM 698 CD1 ILE A 43 0.915 -45.536 -5.951 1.00 0.00 C ATOM 0 H ILE A 43 1.621 -43.814 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.484 -45.592 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 43 2.095 -45.968 -3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.745 -45.594 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.344 -44.244 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.003 -47.955 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.239 -48.170 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.374 -47.771 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.361 -44.952 -6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.959 -45.223 -5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.854 -46.594 -6.207 1.00 0.00 H new ATOM 710 N GLY A 44 2.365 -46.172 -0.342 1.00 0.00 N ATOM 711 CA GLY A 44 2.878 -46.893 0.834 1.00 0.00 C ATOM 712 C GLY A 44 4.223 -46.386 1.403 1.00 0.00 C ATOM 713 O GLY A 44 4.951 -45.726 0.657 1.00 0.00 O ATOM 0 H GLY A 44 3.029 -45.518 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.129 -46.840 1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.990 -47.945 0.571 1.00 0.00 H new ATOM 717 N PRO A 45 4.615 -46.664 2.677 1.00 0.00 N ATOM 718 CA PRO A 45 5.925 -46.300 3.267 1.00 0.00 C ATOM 719 C PRO A 45 7.169 -46.732 2.462 1.00 0.00 C ATOM 720 O PRO A 45 8.071 -45.926 2.216 1.00 0.00 O ATOM 721 CB PRO A 45 5.899 -46.985 4.645 1.00 0.00 C ATOM 722 CG PRO A 45 4.435 -46.909 5.010 1.00 0.00 C ATOM 723 CD PRO A 45 3.752 -47.277 3.697 1.00 0.00 C ATOM 0 HA PRO A 45 6.031 -45.215 3.294 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.253 -48.015 4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.527 -46.467 5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.179 -47.604 5.810 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.152 -45.913 5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.684 -48.357 3.569 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.736 -46.886 3.650 1.00 0.00 H new ATOM 731 N LYS A 46 7.200 -48.007 2.043 1.00 0.00 N ATOM 732 CA LYS A 46 8.213 -48.544 1.131 1.00 0.00 C ATOM 733 C LYS A 46 8.217 -47.880 -0.261 1.00 0.00 C ATOM 734 O LYS A 46 9.282 -47.769 -0.870 1.00 0.00 O ATOM 735 CB LYS A 46 8.036 -50.078 1.010 1.00 0.00 C ATOM 736 CG LYS A 46 8.801 -50.855 2.101 1.00 0.00 C ATOM 737 CD LYS A 46 8.535 -52.376 2.014 1.00 0.00 C ATOM 738 CE LYS A 46 9.680 -53.216 2.596 1.00 0.00 C ATOM 739 NZ LYS A 46 10.672 -53.427 1.545 1.00 0.00 N ATOM 0 H LYS A 46 6.511 -48.700 2.334 1.00 0.00 H new ATOM 0 HA LYS A 46 9.185 -48.310 1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.976 -50.323 1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.382 -50.403 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.870 -50.666 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.504 -50.489 3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.613 -52.610 2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.381 -52.654 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.131 -52.706 3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.303 -54.172 2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.614 -53.533 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.435 -54.288 1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.674 -52.611 0.901 1.00 0.00 H new ATOM 753 N CYS A 47 7.048 -47.417 -0.738 1.00 0.00 N ATOM 754 CA CYS A 47 6.912 -46.657 -1.981 1.00 0.00 C ATOM 755 C CYS A 47 7.558 -45.269 -1.815 1.00 0.00 C ATOM 756 O CYS A 47 8.500 -44.999 -2.559 1.00 0.00 O ATOM 757 CB CYS A 47 5.408 -46.569 -2.360 1.00 0.00 C ATOM 758 SG CYS A 47 4.891 -45.947 -3.987 1.00 0.00 S ATOM 0 H CYS A 47 6.160 -47.566 -0.258 1.00 0.00 H new ATOM 0 HA CYS A 47 7.433 -47.158 -2.797 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.992 -47.571 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.925 -45.943 -1.610 1.00 0.00 H new ATOM 763 N VAL A 48 7.126 -44.397 -0.874 1.00 0.00 N ATOM 764 CA VAL A 48 7.825 -43.140 -0.552 1.00 0.00 C ATOM 765 C VAL A 48 9.345 -43.276 -0.341 1.00 0.00 C ATOM 766 O VAL A 48 10.103 -42.443 -0.839 1.00 0.00 O ATOM 767 CB VAL A 48 7.242 -42.376 0.690 1.00 0.00 C ATOM 768 CG1 VAL A 48 6.976 -40.943 0.291 1.00 0.00 C ATOM 769 CG2 VAL A 48 5.935 -42.888 1.276 1.00 0.00 C ATOM 0 H VAL A 48 6.283 -44.549 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 48 7.645 -42.560 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 48 8.003 -42.519 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.570 -40.397 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.907 -40.476 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.258 -40.921 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.650 -42.268 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.154 -42.844 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.063 -43.919 1.605 1.00 0.00 H new ATOM 779 N LYS A 49 9.795 -44.305 0.396 1.00 0.00 N ATOM 780 CA LYS A 49 11.228 -44.609 0.530 1.00 0.00 C ATOM 781 C LYS A 49 11.966 -44.932 -0.787 1.00 0.00 C ATOM 782 O LYS A 49 12.965 -44.263 -1.086 1.00 0.00 O ATOM 783 CB LYS A 49 11.467 -45.688 1.613 1.00 0.00 C ATOM 784 CG LYS A 49 11.754 -45.097 3.017 1.00 0.00 C ATOM 785 CD LYS A 49 13.255 -44.774 3.278 1.00 0.00 C ATOM 786 CE LYS A 49 13.645 -43.288 3.347 1.00 0.00 C ATOM 787 NZ LYS A 49 13.912 -42.764 2.011 1.00 0.00 N ATOM 0 H LYS A 49 9.185 -44.941 0.909 1.00 0.00 H new ATOM 0 HA LYS A 49 11.684 -43.674 0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.591 -46.334 1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.306 -46.315 1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.171 -44.185 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.409 -45.802 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.545 -45.245 4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.845 -45.243 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.842 -42.717 3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.528 -43.167 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.606 -41.992 2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.291 -43.523 1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.029 -42.403 1.597 1.00 0.00 H new ATOM 801 N ALA A 50 11.476 -45.910 -1.576 1.00 0.00 N ATOM 802 CA ALA A 50 11.957 -46.195 -2.937 1.00 0.00 C ATOM 803 C ALA A 50 11.962 -44.911 -3.797 1.00 0.00 C ATOM 804 O ALA A 50 12.995 -44.546 -4.362 1.00 0.00 O ATOM 805 CB ALA A 50 11.008 -47.260 -3.543 1.00 0.00 C ATOM 0 H ALA A 50 10.724 -46.531 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 50 12.982 -46.565 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.331 -47.501 -4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.034 -48.161 -2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.991 -46.868 -3.570 1.00 0.00 H new ATOM 811 N PHE A 51 10.829 -44.184 -3.788 1.00 0.00 N ATOM 812 CA PHE A 51 10.644 -42.911 -4.487 1.00 0.00 C ATOM 813 C PHE A 51 11.703 -41.869 -4.094 1.00 0.00 C ATOM 814 O PHE A 51 12.426 -41.419 -4.980 1.00 0.00 O ATOM 815 CB PHE A 51 9.225 -42.373 -4.145 1.00 0.00 C ATOM 816 CG PHE A 51 8.704 -41.350 -5.159 1.00 0.00 C ATOM 817 CD1 PHE A 51 9.252 -40.087 -5.311 1.00 0.00 C ATOM 818 CD2 PHE A 51 7.692 -41.700 -6.026 1.00 0.00 C ATOM 819 CE1 PHE A 51 8.836 -39.228 -6.305 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.268 -40.859 -7.013 1.00 0.00 C ATOM 821 CZ PHE A 51 7.842 -39.619 -7.171 1.00 0.00 C ATOM 0 H PHE A 51 9.997 -44.480 -3.278 1.00 0.00 H new ATOM 0 HA PHE A 51 10.753 -43.084 -5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.529 -43.210 -4.094 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.246 -41.915 -3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.027 -39.766 -4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.222 -42.667 -5.921 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.289 -38.252 -6.403 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.474 -41.170 -7.676 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.517 -38.962 -7.964 1.00 0.00 H new ATOM 831 N LYS A 52 11.817 -41.487 -2.810 1.00 0.00 N ATOM 832 CA LYS A 52 12.772 -40.469 -2.362 1.00 0.00 C ATOM 833 C LYS A 52 14.245 -40.836 -2.598 1.00 0.00 C ATOM 834 O LYS A 52 15.037 -39.945 -2.920 1.00 0.00 O ATOM 835 CB LYS A 52 12.557 -40.095 -0.878 1.00 0.00 C ATOM 836 CG LYS A 52 11.278 -39.262 -0.664 1.00 0.00 C ATOM 837 CD LYS A 52 11.173 -38.675 0.757 1.00 0.00 C ATOM 838 CE LYS A 52 10.881 -39.702 1.852 1.00 0.00 C ATOM 839 NZ LYS A 52 10.685 -38.954 3.088 1.00 0.00 N ATOM 0 H LYS A 52 11.249 -41.877 -2.058 1.00 0.00 H new ATOM 0 HA LYS A 52 12.561 -39.603 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.499 -41.005 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.419 -39.532 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.255 -38.449 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.407 -39.888 -0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.107 -38.166 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.387 -37.920 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.993 -40.286 1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.707 -40.406 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.149 -39.535 3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.610 -38.711 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.156 -38.082 2.886 1.00 0.00 H new ATOM 853 N ASP A 53 14.647 -42.112 -2.468 1.00 0.00 N ATOM 854 CA ASP A 53 16.037 -42.478 -2.746 1.00 0.00 C ATOM 855 C ASP A 53 16.375 -42.555 -4.255 1.00 0.00 C ATOM 856 O ASP A 53 17.451 -42.097 -4.670 1.00 0.00 O ATOM 857 CB ASP A 53 16.417 -43.709 -1.895 1.00 0.00 C ATOM 858 CG ASP A 53 16.463 -43.317 -0.418 1.00 0.00 C ATOM 859 OD1 ASP A 53 17.290 -42.475 -0.058 1.00 0.00 O ATOM 860 OD2 ASP A 53 15.680 -43.828 0.383 1.00 0.00 O ATOM 0 H ASP A 53 14.045 -42.884 -2.180 1.00 0.00 H new ATOM 0 HA ASP A 53 16.695 -41.669 -2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.691 -44.507 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.386 -44.096 -2.209 1.00 0.00 H new ATOM 865 N CYS A 54 15.480 -43.078 -5.105 1.00 0.00 N ATOM 866 CA CYS A 54 15.579 -42.866 -6.554 1.00 0.00 C ATOM 867 C CYS A 54 15.446 -41.383 -6.990 1.00 0.00 C ATOM 868 O CYS A 54 16.089 -40.998 -7.967 1.00 0.00 O ATOM 869 CB CYS A 54 14.558 -43.748 -7.289 1.00 0.00 C ATOM 870 SG CYS A 54 15.053 -45.450 -7.693 1.00 0.00 S ATOM 0 H CYS A 54 14.685 -43.647 -4.816 1.00 0.00 H new ATOM 0 HA CYS A 54 16.590 -43.160 -6.836 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.655 -43.796 -6.680 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.289 -43.247 -8.219 1.00 0.00 H new ATOM 875 N CYS A 55 14.642 -40.537 -6.318 1.00 0.00 N ATOM 876 CA CYS A 55 14.593 -39.080 -6.541 1.00 0.00 C ATOM 877 C CYS A 55 15.926 -38.375 -6.195 1.00 0.00 C ATOM 878 O CYS A 55 16.332 -37.432 -6.882 1.00 0.00 O ATOM 879 CB CYS A 55 13.411 -38.488 -5.727 1.00 0.00 C ATOM 880 SG CYS A 55 12.790 -36.865 -6.249 1.00 0.00 S ATOM 0 H CYS A 55 13.998 -40.853 -5.593 1.00 0.00 H new ATOM 0 HA CYS A 55 14.435 -38.901 -7.605 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.584 -39.197 -5.765 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.720 -38.414 -4.684 1.00 0.00 H new ATOM 885 N TYR A 56 16.615 -38.819 -5.130 1.00 0.00 N ATOM 886 CA TYR A 56 18.017 -38.473 -4.856 1.00 0.00 C ATOM 887 C TYR A 56 18.972 -38.866 -6.009 1.00 0.00 C ATOM 888 O TYR A 56 19.791 -38.029 -6.401 1.00 0.00 O ATOM 889 CB TYR A 56 18.375 -39.031 -3.435 1.00 0.00 C ATOM 890 CG TYR A 56 19.784 -39.625 -3.254 1.00 0.00 C ATOM 891 CD1 TYR A 56 20.882 -38.850 -2.917 1.00 0.00 C ATOM 892 CD2 TYR A 56 19.985 -40.993 -3.343 1.00 0.00 C ATOM 893 CE1 TYR A 56 22.118 -39.422 -2.671 1.00 0.00 C ATOM 894 CE2 TYR A 56 21.212 -41.571 -3.097 1.00 0.00 C ATOM 895 CZ TYR A 56 22.281 -40.783 -2.760 1.00 0.00 C ATOM 896 OH TYR A 56 23.492 -41.344 -2.507 1.00 0.00 O ATOM 0 H TYR A 56 16.207 -39.436 -4.427 1.00 0.00 H new ATOM 0 HA TYR A 56 18.156 -37.392 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 56 18.252 -38.224 -2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.647 -39.801 -3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 56 20.771 -37.778 -2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 56 19.154 -41.627 -3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 56 22.958 -38.796 -2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 56 21.330 -42.642 -3.170 1.00 0.00 H new ATOM 0 HH TYR A 56 23.431 -42.316 -2.614 1.00 0.00 H new ATOM 906 N ILE A 57 18.878 -40.084 -6.581 1.00 0.00 N ATOM 907 CA ILE A 57 19.578 -40.421 -7.843 1.00 0.00 C ATOM 908 C ILE A 57 19.205 -39.512 -9.026 1.00 0.00 C ATOM 909 O ILE A 57 20.088 -39.008 -9.722 1.00 0.00 O ATOM 910 CB ILE A 57 19.358 -41.925 -8.241 1.00 0.00 C ATOM 911 CG1 ILE A 57 19.852 -42.914 -7.170 1.00 0.00 C ATOM 912 CG2 ILE A 57 19.938 -42.351 -9.620 1.00 0.00 C ATOM 913 CD1 ILE A 57 21.289 -42.657 -6.686 1.00 0.00 C ATOM 0 H ILE A 57 18.327 -40.850 -6.193 1.00 0.00 H new ATOM 0 HA ILE A 57 20.634 -40.250 -7.632 1.00 0.00 H new ATOM 0 HB ILE A 57 18.272 -41.978 -8.322 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.179 -42.870 -6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.792 -43.926 -7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.729 -43.407 -9.792 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.476 -41.757 -10.408 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.016 -42.188 -9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.557 -43.398 -5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.976 -42.731 -7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 57 21.354 -41.659 -6.252 1.00 0.00 H new ATOM 925 N ALA A 58 17.904 -39.314 -9.246 1.00 0.00 N ATOM 926 CA ALA A 58 17.380 -38.418 -10.284 1.00 0.00 C ATOM 927 C ALA A 58 17.908 -36.971 -10.183 1.00 0.00 C ATOM 928 O ALA A 58 18.306 -36.402 -11.202 1.00 0.00 O ATOM 929 CB ALA A 58 15.858 -38.431 -10.224 1.00 0.00 C ATOM 0 H ALA A 58 17.174 -39.776 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 58 17.735 -38.794 -11.243 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.458 -37.768 -10.991 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.496 -39.445 -10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.530 -38.089 -9.242 1.00 0.00 H new ATOM 935 N ASN A 59 17.930 -36.365 -8.984 1.00 0.00 N ATOM 936 CA ASN A 59 18.577 -35.064 -8.764 1.00 0.00 C ATOM 937 C ASN A 59 20.110 -35.087 -8.935 1.00 0.00 C ATOM 938 O ASN A 59 20.664 -34.099 -9.423 1.00 0.00 O ATOM 939 CB ASN A 59 18.167 -34.455 -7.403 1.00 0.00 C ATOM 940 CG ASN A 59 16.703 -34.023 -7.448 1.00 0.00 C ATOM 941 OD1 ASN A 59 16.345 -32.989 -8.006 1.00 0.00 O ATOM 942 ND2 ASN A 59 15.789 -34.796 -6.900 1.00 0.00 N ATOM 0 H ASN A 59 17.503 -36.761 -8.147 1.00 0.00 H new ATOM 0 HA ASN A 59 18.208 -34.415 -9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.315 -35.186 -6.608 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.801 -33.599 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.805 -34.532 -6.944 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.065 -35.659 -6.432 1.00 0.00 H new ATOM 949 N GLN A 60 20.809 -36.172 -8.560 1.00 0.00 N ATOM 950 CA GLN A 60 22.223 -36.367 -8.907 1.00 0.00 C ATOM 951 C GLN A 60 22.439 -36.434 -10.438 1.00 0.00 C ATOM 952 O GLN A 60 23.363 -35.797 -10.951 1.00 0.00 O ATOM 953 CB GLN A 60 22.742 -37.657 -8.224 1.00 0.00 C ATOM 954 CG GLN A 60 24.290 -37.777 -8.227 1.00 0.00 C ATOM 955 CD GLN A 60 24.746 -39.212 -7.949 1.00 0.00 C ATOM 956 OE1 GLN A 60 24.469 -39.807 -6.914 1.00 0.00 O ATOM 957 NE2 GLN A 60 25.471 -39.824 -8.865 1.00 0.00 N ATOM 0 H GLN A 60 20.410 -36.933 -8.011 1.00 0.00 H new ATOM 0 HA GLN A 60 22.787 -35.507 -8.546 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.385 -37.683 -7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.317 -38.524 -8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.679 -37.452 -9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.708 -37.110 -7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 60 25.710 -39.342 -9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 60 25.793 -40.779 -8.707 1.00 0.00 H new ATOM 966 N VAL A 61 21.597 -37.182 -11.176 1.00 0.00 N ATOM 967 CA VAL A 61 21.581 -37.192 -12.649 1.00 0.00 C ATOM 968 C VAL A 61 21.251 -35.809 -13.252 1.00 0.00 C ATOM 969 O VAL A 61 21.911 -35.406 -14.212 1.00 0.00 O ATOM 970 CB VAL A 61 20.632 -38.320 -13.183 1.00 0.00 C ATOM 971 CG1 VAL A 61 20.446 -38.339 -14.719 1.00 0.00 C ATOM 972 CG2 VAL A 61 21.159 -39.716 -12.789 1.00 0.00 C ATOM 0 H VAL A 61 20.902 -37.802 -10.761 1.00 0.00 H new ATOM 0 HA VAL A 61 22.592 -37.421 -12.985 1.00 0.00 H new ATOM 0 HB VAL A 61 19.671 -38.091 -12.722 1.00 0.00 H new ATOM 0 HG11 VAL A 61 19.774 -39.152 -14.994 1.00 0.00 H new ATOM 0 HG12 VAL A 61 20.020 -37.390 -15.046 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.412 -38.488 -15.201 1.00 0.00 H new ATOM 0 HG21 VAL A 61 20.483 -40.481 -13.171 1.00 0.00 H new ATOM 0 HG22 VAL A 61 22.152 -39.863 -13.214 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.215 -39.791 -11.703 1.00 0.00 H new ATOM 982 N ARG A 62 20.263 -35.061 -12.729 1.00 0.00 N ATOM 983 CA ARG A 62 20.027 -33.665 -13.126 1.00 0.00 C ATOM 984 C ARG A 62 21.179 -32.697 -12.779 1.00 0.00 C ATOM 985 O ARG A 62 21.346 -31.698 -13.482 1.00 0.00 O ATOM 986 CB ARG A 62 18.676 -33.137 -12.561 1.00 0.00 C ATOM 987 CG ARG A 62 17.407 -33.824 -13.134 1.00 0.00 C ATOM 988 CD ARG A 62 17.178 -33.550 -14.624 1.00 0.00 C ATOM 989 NE ARG A 62 15.979 -34.264 -15.055 1.00 0.00 N ATOM 990 CZ ARG A 62 15.764 -34.730 -16.253 1.00 0.00 C ATOM 991 NH1 ARG A 62 16.596 -34.696 -17.232 1.00 0.00 N ATOM 992 NH2 ARG A 62 14.635 -35.283 -16.462 1.00 0.00 N ATOM 0 H ARG A 62 19.611 -35.406 -12.024 1.00 0.00 H new ATOM 0 HA ARG A 62 19.978 -33.686 -14.215 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.680 -33.262 -11.478 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.611 -32.067 -12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.486 -34.900 -12.979 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.536 -33.485 -12.573 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.063 -32.480 -14.798 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.041 -33.876 -15.205 1.00 0.00 H new ATOM 0 HE ARG A 62 15.248 -34.410 -14.359 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.517 -34.277 -17.104 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.335 -35.088 -18.137 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.950 -35.344 -15.709 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.416 -35.664 -17.383 1.00 0.00 H new ATOM 1006 N ALA A 63 21.959 -32.935 -11.713 1.00 0.00 N ATOM 1007 CA ALA A 63 23.227 -32.235 -11.486 1.00 0.00 C ATOM 1008 C ALA A 63 24.335 -32.643 -12.483 1.00 0.00 C ATOM 1009 O ALA A 63 24.877 -31.767 -13.161 1.00 0.00 O ATOM 1010 CB ALA A 63 23.675 -32.457 -10.027 1.00 0.00 C ATOM 0 H ALA A 63 21.728 -33.615 -10.989 1.00 0.00 H new ATOM 0 HA ALA A 63 23.056 -31.173 -11.661 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.618 -31.938 -9.853 1.00 0.00 H new ATOM 0 HB2 ALA A 63 22.916 -32.066 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.809 -33.523 -9.846 1.00 0.00 H new ATOM 1016 N GLU A 64 24.691 -33.931 -12.640 1.00 0.00 N ATOM 1017 CA GLU A 64 25.725 -34.356 -13.601 1.00 0.00 C ATOM 1018 C GLU A 64 25.188 -34.525 -15.051 1.00 0.00 C ATOM 1019 O GLU A 64 25.399 -35.525 -15.743 1.00 0.00 O ATOM 1020 CB GLU A 64 26.502 -35.596 -13.052 1.00 0.00 C ATOM 1021 CG GLU A 64 25.655 -36.898 -12.890 1.00 0.00 C ATOM 1022 CD GLU A 64 26.428 -38.058 -12.263 1.00 0.00 C ATOM 1023 OE1 GLU A 64 27.338 -38.585 -12.898 1.00 0.00 O ATOM 1024 OE2 GLU A 64 26.088 -38.440 -11.143 1.00 0.00 O ATOM 0 H GLU A 64 24.276 -34.698 -12.111 1.00 0.00 H new ATOM 0 HA GLU A 64 26.449 -33.547 -13.695 1.00 0.00 H new ATOM 0 HB2 GLU A 64 27.336 -35.806 -13.721 1.00 0.00 H new ATOM 0 HB3 GLU A 64 26.928 -35.337 -12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.782 -36.679 -12.275 1.00 0.00 H new ATOM 0 HG3 GLU A 64 25.286 -37.205 -13.869 1.00 0.00 H new