USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=13 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 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 23 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0734) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 1.2 (180deg=1.18) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.206) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 1.46 K(o=1.5,f=-7.3!) USER MOD Single : A 33 THR OG1 : rot -92:sc= 1.17 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0.288 (180deg=-0.17) USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 2.39 (180deg=2.09) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.12) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= 1.14 (180deg=1.09) USER MOD Single : A 59 ASN : amide:sc= 1.98 K(o=2,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 16.700 -45.969 -6.428 1.00 0.00 N ATOM 101 CA ILE A 6 16.343 -46.056 -7.868 1.00 0.00 C ATOM 102 C ILE A 6 16.640 -47.466 -8.391 1.00 0.00 C ATOM 103 O ILE A 6 15.763 -48.085 -8.991 1.00 0.00 O ATOM 104 CB ILE A 6 17.043 -45.057 -8.864 1.00 0.00 C ATOM 105 CG1 ILE A 6 16.949 -43.591 -8.444 1.00 0.00 C ATOM 106 CG2 ILE A 6 16.511 -45.166 -10.341 1.00 0.00 C ATOM 107 CD1 ILE A 6 18.247 -43.114 -7.783 1.00 0.00 C ATOM 0 HA ILE A 6 15.288 -45.783 -7.862 1.00 0.00 H new ATOM 0 HB ILE A 6 18.085 -45.373 -8.825 1.00 0.00 H new ATOM 0 HG12 ILE A 6 16.735 -42.974 -9.317 1.00 0.00 H new ATOM 0 HG13 ILE A 6 16.117 -43.462 -7.751 1.00 0.00 H new ATOM 0 HG21 ILE A 6 17.037 -44.449 -10.971 1.00 0.00 H new ATOM 0 HG22 ILE A 6 16.684 -46.175 -10.716 1.00 0.00 H new ATOM 0 HG23 ILE A 6 15.443 -44.950 -10.360 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.146 -42.067 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.446 -43.715 -6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 6 19.073 -43.220 -8.486 1.00 0.00 H new ATOM 119 N GLU A 7 17.856 -47.969 -8.127 1.00 0.00 N ATOM 120 CA GLU A 7 18.281 -49.288 -8.587 1.00 0.00 C ATOM 121 C GLU A 7 17.419 -50.440 -8.049 1.00 0.00 C ATOM 122 O GLU A 7 16.975 -51.200 -8.901 1.00 0.00 O ATOM 123 CB GLU A 7 19.792 -49.477 -8.337 1.00 0.00 C ATOM 124 CG GLU A 7 20.635 -48.637 -9.360 1.00 0.00 C ATOM 125 CD GLU A 7 21.900 -47.989 -8.784 1.00 0.00 C ATOM 126 OE1 GLU A 7 22.547 -48.554 -7.902 1.00 0.00 O ATOM 127 OE2 GLU A 7 22.225 -46.893 -9.243 1.00 0.00 O ATOM 0 H GLU A 7 18.565 -47.470 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 7 18.116 -49.328 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.038 -49.173 -7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 7 20.051 -50.532 -8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.922 -49.284 -10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.000 -47.853 -9.773 1.00 0.00 H new ATOM 134 N GLU A 8 17.086 -50.644 -6.762 1.00 0.00 N ATOM 135 CA GLU A 8 16.171 -51.737 -6.392 1.00 0.00 C ATOM 136 C GLU A 8 14.698 -51.504 -6.795 1.00 0.00 C ATOM 137 O GLU A 8 13.941 -52.477 -6.796 1.00 0.00 O ATOM 138 CB GLU A 8 16.334 -52.232 -4.918 1.00 0.00 C ATOM 139 CG GLU A 8 15.995 -51.260 -3.739 1.00 0.00 C ATOM 140 CD GLU A 8 14.511 -50.913 -3.585 1.00 0.00 C ATOM 141 OE1 GLU A 8 13.700 -51.756 -3.196 1.00 0.00 O ATOM 142 OE2 GLU A 8 14.151 -49.767 -3.842 1.00 0.00 O ATOM 0 H GLU A 8 17.426 -50.084 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 8 16.500 -52.569 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.711 -53.119 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.369 -52.550 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.345 -51.707 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.555 -50.335 -3.879 1.00 0.00 H new ATOM 149 N GLU A 9 14.224 -50.283 -7.109 1.00 0.00 N ATOM 150 CA GLU A 9 12.939 -50.147 -7.804 1.00 0.00 C ATOM 151 C GLU A 9 13.063 -50.427 -9.315 1.00 0.00 C ATOM 152 O GLU A 9 12.502 -51.403 -9.813 1.00 0.00 O ATOM 153 CB GLU A 9 12.315 -48.755 -7.543 1.00 0.00 C ATOM 154 CG GLU A 9 10.790 -48.879 -7.267 1.00 0.00 C ATOM 155 CD GLU A 9 10.511 -49.291 -5.824 1.00 0.00 C ATOM 156 OE1 GLU A 9 10.639 -48.440 -4.944 1.00 0.00 O ATOM 157 OE2 GLU A 9 10.215 -50.457 -5.561 1.00 0.00 O ATOM 0 H GLU A 9 14.697 -49.404 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 9 12.270 -50.904 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.807 -48.285 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.482 -48.109 -8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.304 -47.926 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.355 -49.613 -7.946 1.00 0.00 H new ATOM 164 N ALA A 10 13.770 -49.568 -10.056 1.00 0.00 N ATOM 165 CA ALA A 10 13.989 -49.731 -11.501 1.00 0.00 C ATOM 166 C ALA A 10 14.902 -50.888 -11.984 1.00 0.00 C ATOM 167 O ALA A 10 15.010 -51.054 -13.200 1.00 0.00 O ATOM 168 CB ALA A 10 14.449 -48.363 -12.030 1.00 0.00 C ATOM 0 H ALA A 10 14.211 -48.733 -9.669 1.00 0.00 H new ATOM 0 HA ALA A 10 13.038 -50.059 -11.922 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.626 -48.429 -13.103 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.677 -47.619 -11.835 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.371 -48.070 -11.527 1.00 0.00 H new ATOM 174 N ALA A 11 15.620 -51.689 -11.179 1.00 0.00 N ATOM 175 CA ALA A 11 16.049 -53.032 -11.606 1.00 0.00 C ATOM 176 C ALA A 11 14.912 -54.064 -11.508 1.00 0.00 C ATOM 177 O ALA A 11 14.656 -54.828 -12.442 1.00 0.00 O ATOM 178 CB ALA A 11 17.277 -53.508 -10.800 1.00 0.00 C ATOM 0 H ALA A 11 15.914 -51.433 -10.236 1.00 0.00 H new ATOM 0 HA ALA A 11 16.331 -52.951 -12.656 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.571 -54.502 -11.137 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.104 -52.814 -10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.025 -53.544 -9.740 1.00 0.00 H new ATOM 184 N LYS A 12 14.192 -54.061 -10.380 1.00 0.00 N ATOM 185 CA LYS A 12 13.137 -55.031 -10.097 1.00 0.00 C ATOM 186 C LYS A 12 11.795 -54.586 -10.718 1.00 0.00 C ATOM 187 O LYS A 12 10.814 -54.260 -10.047 1.00 0.00 O ATOM 188 CB LYS A 12 13.043 -55.263 -8.562 1.00 0.00 C ATOM 189 CG LYS A 12 14.324 -55.821 -7.895 1.00 0.00 C ATOM 190 CD LYS A 12 14.668 -57.276 -8.293 1.00 0.00 C ATOM 191 CE LYS A 12 15.953 -57.796 -7.640 1.00 0.00 C ATOM 192 NZ LYS A 12 17.101 -57.121 -8.234 1.00 0.00 N ATOM 0 H LYS A 12 14.329 -53.378 -9.635 1.00 0.00 H new ATOM 0 HA LYS A 12 13.383 -55.986 -10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.787 -54.318 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.222 -55.952 -8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.164 -55.177 -8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.207 -55.771 -6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.839 -57.927 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.770 -57.334 -9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.927 -57.617 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.037 -58.874 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.978 -57.564 -7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.052 -57.200 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.092 -56.117 -7.962 1.00 0.00 H new ATOM 206 N TYR A 13 11.795 -54.623 -12.058 1.00 0.00 N ATOM 207 CA TYR A 13 10.643 -54.345 -12.930 1.00 0.00 C ATOM 208 C TYR A 13 9.344 -55.136 -12.631 1.00 0.00 C ATOM 209 O TYR A 13 8.292 -54.837 -13.197 1.00 0.00 O ATOM 210 CB TYR A 13 11.105 -54.575 -14.399 1.00 0.00 C ATOM 211 CG TYR A 13 11.531 -53.290 -15.140 1.00 0.00 C ATOM 212 CD1 TYR A 13 12.291 -52.264 -14.584 1.00 0.00 C ATOM 213 CD2 TYR A 13 11.165 -53.143 -16.470 1.00 0.00 C ATOM 214 CE1 TYR A 13 12.660 -51.161 -15.334 1.00 0.00 C ATOM 215 CE2 TYR A 13 11.528 -52.042 -17.219 1.00 0.00 C ATOM 216 CZ TYR A 13 12.278 -51.048 -16.645 1.00 0.00 C ATOM 217 OH TYR A 13 12.629 -49.950 -17.362 1.00 0.00 O ATOM 0 H TYR A 13 12.634 -54.858 -12.588 1.00 0.00 H new ATOM 0 HA TYR A 13 10.349 -53.313 -12.738 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.941 -55.274 -14.399 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.294 -55.048 -14.953 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.597 -52.330 -13.551 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.575 -53.918 -16.936 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.255 -50.382 -14.881 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.223 -51.964 -18.252 1.00 0.00 H new ATOM 0 HH TYR A 13 12.279 -50.029 -18.274 1.00 0.00 H new ATOM 227 N LYS A 14 9.405 -56.158 -11.764 1.00 0.00 N ATOM 228 CA LYS A 14 8.243 -56.742 -11.086 1.00 0.00 C ATOM 229 C LYS A 14 7.483 -55.719 -10.211 1.00 0.00 C ATOM 230 O LYS A 14 6.261 -55.815 -10.073 1.00 0.00 O ATOM 231 CB LYS A 14 8.713 -57.935 -10.215 1.00 0.00 C ATOM 232 CG LYS A 14 9.291 -59.102 -11.046 1.00 0.00 C ATOM 233 CD LYS A 14 9.772 -60.248 -10.139 1.00 0.00 C ATOM 234 CE LYS A 14 10.362 -61.389 -10.963 1.00 0.00 C ATOM 235 NZ LYS A 14 10.788 -62.427 -10.036 1.00 0.00 N ATOM 0 H LYS A 14 10.284 -56.610 -11.511 1.00 0.00 H new ATOM 0 HA LYS A 14 7.546 -57.077 -11.854 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.470 -57.588 -9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.872 -58.299 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.531 -59.474 -11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.122 -58.743 -11.653 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.521 -59.874 -9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.938 -60.619 -9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.622 -61.780 -11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.205 -61.036 -11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.196 -63.222 -10.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.503 -62.041 -9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.969 -62.761 -9.489 1.00 0.00 H new ATOM 249 N TYR A 15 8.161 -54.713 -9.630 1.00 0.00 N ATOM 250 CA TYR A 15 7.512 -53.602 -8.922 1.00 0.00 C ATOM 251 C TYR A 15 7.052 -52.517 -9.928 1.00 0.00 C ATOM 252 O TYR A 15 7.397 -51.333 -9.843 1.00 0.00 O ATOM 253 CB TYR A 15 8.494 -53.017 -7.860 1.00 0.00 C ATOM 254 CG TYR A 15 9.032 -54.021 -6.821 1.00 0.00 C ATOM 255 CD1 TYR A 15 8.355 -55.166 -6.422 1.00 0.00 C ATOM 256 CD2 TYR A 15 10.256 -53.777 -6.223 1.00 0.00 C ATOM 257 CE1 TYR A 15 8.880 -56.023 -5.472 1.00 0.00 C ATOM 258 CE2 TYR A 15 10.788 -54.626 -5.274 1.00 0.00 C ATOM 259 CZ TYR A 15 10.099 -55.749 -4.900 1.00 0.00 C ATOM 260 OH TYR A 15 10.632 -56.577 -3.967 1.00 0.00 O ATOM 0 H TYR A 15 9.179 -54.650 -9.640 1.00 0.00 H new ATOM 0 HA TYR A 15 6.624 -53.967 -8.405 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.342 -52.573 -8.382 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.988 -52.210 -7.330 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.396 -55.393 -6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.812 -52.896 -6.508 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.332 -56.907 -5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 15 11.746 -54.405 -4.827 1.00 0.00 H new ATOM 0 HH TYR A 15 11.499 -56.226 -3.675 1.00 0.00 H new ATOM 270 N ALA A 16 6.189 -52.967 -10.851 1.00 0.00 N ATOM 271 CA ALA A 16 5.838 -52.275 -12.095 1.00 0.00 C ATOM 272 C ALA A 16 5.292 -50.842 -11.937 1.00 0.00 C ATOM 273 O ALA A 16 5.813 -49.908 -12.562 1.00 0.00 O ATOM 274 CB ALA A 16 4.843 -53.172 -12.862 1.00 0.00 C ATOM 0 H ALA A 16 5.700 -53.856 -10.745 1.00 0.00 H new ATOM 0 HA ALA A 16 6.764 -52.124 -12.649 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.560 -52.686 -13.796 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.312 -54.132 -13.080 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.954 -53.333 -12.253 1.00 0.00 H new ATOM 280 N MET A 17 4.276 -50.680 -11.081 1.00 0.00 N ATOM 281 CA MET A 17 3.676 -49.388 -10.744 1.00 0.00 C ATOM 282 C MET A 17 4.642 -48.468 -9.964 1.00 0.00 C ATOM 283 O MET A 17 4.636 -47.250 -10.148 1.00 0.00 O ATOM 284 CB MET A 17 2.386 -49.684 -9.931 1.00 0.00 C ATOM 285 CG MET A 17 1.509 -48.442 -9.649 1.00 0.00 C ATOM 286 SD MET A 17 0.015 -48.854 -8.710 1.00 0.00 S ATOM 287 CE MET A 17 -1.190 -49.051 -10.047 1.00 0.00 C ATOM 0 H MET A 17 3.840 -51.463 -10.594 1.00 0.00 H new ATOM 0 HA MET A 17 3.442 -48.841 -11.657 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.790 -50.419 -10.473 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.666 -50.139 -8.981 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.092 -47.706 -9.095 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.225 -47.978 -10.594 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.162 -49.307 -9.626 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.270 -48.118 -10.605 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.864 -49.847 -10.716 1.00 0.00 H new ATOM 297 N LEU A 18 5.519 -49.051 -9.137 1.00 0.00 N ATOM 298 CA LEU A 18 6.433 -48.304 -8.273 1.00 0.00 C ATOM 299 C LEU A 18 7.696 -47.840 -9.014 1.00 0.00 C ATOM 300 O LEU A 18 8.187 -46.736 -8.761 1.00 0.00 O ATOM 301 CB LEU A 18 6.772 -49.150 -7.020 1.00 0.00 C ATOM 302 CG LEU A 18 5.538 -49.640 -6.221 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.994 -50.488 -5.027 1.00 0.00 C ATOM 304 CD2 LEU A 18 4.669 -48.473 -5.726 1.00 0.00 C ATOM 0 H LEU A 18 5.612 -50.063 -9.050 1.00 0.00 H new ATOM 0 HA LEU A 18 5.930 -47.392 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.356 -50.017 -7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.406 -48.559 -6.359 1.00 0.00 H new ATOM 0 HG LEU A 18 4.929 -50.242 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.122 -50.830 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.555 -51.350 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.629 -49.888 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.816 -48.864 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.261 -47.829 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.313 -47.897 -6.580 1.00 0.00 H new ATOM 316 N LYS A 19 8.256 -48.646 -9.927 1.00 0.00 N ATOM 317 CA LYS A 19 9.234 -48.121 -10.880 1.00 0.00 C ATOM 318 C LYS A 19 8.586 -47.173 -11.915 1.00 0.00 C ATOM 319 O LYS A 19 9.273 -46.280 -12.405 1.00 0.00 O ATOM 320 CB LYS A 19 10.024 -49.275 -11.563 1.00 0.00 C ATOM 321 CG LYS A 19 9.225 -50.186 -12.532 1.00 0.00 C ATOM 322 CD LYS A 19 9.338 -49.777 -14.021 1.00 0.00 C ATOM 323 CE LYS A 19 8.365 -50.523 -14.938 1.00 0.00 C ATOM 324 NZ LYS A 19 7.053 -49.893 -14.846 1.00 0.00 N ATOM 0 H LYS A 19 8.053 -49.641 -10.023 1.00 0.00 H new ATOM 0 HA LYS A 19 9.949 -47.521 -10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.856 -48.838 -12.115 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.454 -49.902 -10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.575 -51.212 -12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.174 -50.174 -12.242 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.158 -48.706 -14.109 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.357 -49.958 -14.362 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.723 -50.499 -15.967 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.301 -51.571 -14.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.337 -50.518 -15.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.819 -49.723 -13.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.066 -48.987 -15.357 1.00 0.00 H new ATOM 338 N LYS A 20 7.301 -47.314 -12.301 1.00 0.00 N ATOM 339 CA LYS A 20 6.609 -46.260 -13.055 1.00 0.00 C ATOM 340 C LYS A 20 6.437 -44.979 -12.198 1.00 0.00 C ATOM 341 O LYS A 20 6.467 -43.882 -12.754 1.00 0.00 O ATOM 342 CB LYS A 20 5.227 -46.770 -13.544 1.00 0.00 C ATOM 343 CG LYS A 20 4.522 -45.799 -14.519 1.00 0.00 C ATOM 344 CD LYS A 20 3.048 -46.183 -14.752 1.00 0.00 C ATOM 345 CE LYS A 20 2.282 -45.147 -15.585 1.00 0.00 C ATOM 346 NZ LYS A 20 2.120 -43.922 -14.807 1.00 0.00 N ATOM 0 H LYS A 20 6.732 -48.137 -12.104 1.00 0.00 H new ATOM 0 HA LYS A 20 7.221 -46.006 -13.921 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.357 -47.734 -14.035 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.583 -46.936 -12.680 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.574 -44.785 -14.122 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.051 -45.795 -15.472 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.005 -47.149 -15.255 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.553 -46.304 -13.788 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.822 -44.936 -16.508 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.307 -45.542 -15.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.398 -43.321 -15.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.822 -44.162 -13.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.024 -43.410 -14.774 1.00 0.00 H new ATOM 360 N CYS A 21 6.238 -45.070 -10.868 1.00 0.00 N ATOM 361 CA CYS A 21 6.322 -43.923 -9.953 1.00 0.00 C ATOM 362 C CYS A 21 7.720 -43.247 -9.945 1.00 0.00 C ATOM 363 O CYS A 21 7.806 -42.013 -9.943 1.00 0.00 O ATOM 364 CB CYS A 21 5.910 -44.426 -8.558 1.00 0.00 C ATOM 365 SG CYS A 21 5.343 -43.139 -7.424 1.00 0.00 S ATOM 0 H CYS A 21 6.013 -45.948 -10.400 1.00 0.00 H new ATOM 0 HA CYS A 21 5.648 -43.136 -10.291 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.116 -45.164 -8.673 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.759 -44.939 -8.107 1.00 0.00 H new ATOM 370 N CYS A 22 8.813 -44.039 -9.982 1.00 0.00 N ATOM 371 CA CYS A 22 10.153 -43.571 -10.393 1.00 0.00 C ATOM 372 C CYS A 22 10.098 -42.795 -11.700 1.00 0.00 C ATOM 373 O CYS A 22 10.492 -41.633 -11.750 1.00 0.00 O ATOM 374 CB CYS A 22 11.178 -44.736 -10.405 1.00 0.00 C ATOM 375 SG CYS A 22 12.860 -44.291 -9.883 1.00 0.00 S ATOM 0 H CYS A 22 8.790 -45.026 -9.726 1.00 0.00 H new ATOM 0 HA CYS A 22 10.512 -42.864 -9.645 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.810 -45.529 -9.754 1.00 0.00 H new ATOM 0 HB3 CYS A 22 11.225 -45.148 -11.413 1.00 0.00 H new ATOM 380 N TYR A 23 9.567 -43.388 -12.749 1.00 0.00 N ATOM 381 CA TYR A 23 9.611 -42.765 -14.061 1.00 0.00 C ATOM 382 C TYR A 23 8.648 -41.564 -14.249 1.00 0.00 C ATOM 383 O TYR A 23 8.898 -40.680 -15.076 1.00 0.00 O ATOM 384 CB TYR A 23 9.563 -43.917 -15.048 1.00 0.00 C ATOM 385 CG TYR A 23 10.734 -44.922 -14.838 1.00 0.00 C ATOM 386 CD1 TYR A 23 11.866 -44.762 -14.000 1.00 0.00 C ATOM 387 CD2 TYR A 23 10.732 -46.006 -15.695 1.00 0.00 C ATOM 388 CE1 TYR A 23 12.945 -45.617 -14.128 1.00 0.00 C ATOM 389 CE2 TYR A 23 11.809 -46.861 -15.804 1.00 0.00 C ATOM 390 CZ TYR A 23 12.920 -46.650 -15.034 1.00 0.00 C ATOM 391 OH TYR A 23 14.002 -47.451 -15.199 1.00 0.00 O ATOM 0 H TYR A 23 9.102 -44.295 -12.722 1.00 0.00 H new ATOM 0 HA TYR A 23 10.531 -42.208 -14.238 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.613 -44.442 -14.945 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.602 -43.524 -16.064 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.886 -43.973 -13.262 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.857 -46.190 -16.300 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.818 -45.471 -13.509 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.775 -47.692 -16.493 1.00 0.00 H new ATOM 0 HH TYR A 23 13.807 -48.129 -15.879 1.00 0.00 H new ATOM 401 N ASP A 24 7.586 -41.503 -13.427 1.00 0.00 N ATOM 402 CA ASP A 24 6.829 -40.280 -13.132 1.00 0.00 C ATOM 403 C ASP A 24 7.747 -39.190 -12.539 1.00 0.00 C ATOM 404 O ASP A 24 7.725 -38.067 -13.037 1.00 0.00 O ATOM 405 CB ASP A 24 5.652 -40.628 -12.163 1.00 0.00 C ATOM 406 CG ASP A 24 4.397 -39.811 -12.463 1.00 0.00 C ATOM 407 OD1 ASP A 24 4.335 -38.635 -12.101 1.00 0.00 O ATOM 408 OD2 ASP A 24 3.485 -40.377 -13.060 1.00 0.00 O ATOM 0 H ASP A 24 7.224 -42.323 -12.940 1.00 0.00 H new ATOM 0 HA ASP A 24 6.417 -39.877 -14.057 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.420 -41.690 -12.243 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.964 -40.446 -11.135 1.00 0.00 H new ATOM 413 N GLY A 25 8.565 -39.507 -11.520 1.00 0.00 N ATOM 414 CA GLY A 25 9.602 -38.598 -11.001 1.00 0.00 C ATOM 415 C GLY A 25 10.749 -38.260 -11.962 1.00 0.00 C ATOM 416 O GLY A 25 11.290 -37.158 -11.885 1.00 0.00 O ATOM 0 H GLY A 25 8.526 -40.402 -11.032 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.122 -37.667 -10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.028 -39.042 -10.102 1.00 0.00 H new ATOM 420 N ALA A 26 11.162 -39.195 -12.831 1.00 0.00 N ATOM 421 CA ALA A 26 12.093 -38.914 -13.932 1.00 0.00 C ATOM 422 C ALA A 26 11.530 -37.890 -14.940 1.00 0.00 C ATOM 423 O ALA A 26 12.273 -37.042 -15.441 1.00 0.00 O ATOM 424 CB ALA A 26 12.503 -40.215 -14.644 1.00 0.00 C ATOM 0 H ALA A 26 10.859 -40.168 -12.789 1.00 0.00 H new ATOM 0 HA ALA A 26 12.980 -38.462 -13.488 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.193 -39.984 -15.456 1.00 0.00 H new ATOM 0 HB2 ALA A 26 12.991 -40.881 -13.932 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.616 -40.703 -15.049 1.00 0.00 H new ATOM 430 N TYR A 27 10.227 -37.947 -15.253 1.00 0.00 N ATOM 431 CA TYR A 27 9.533 -36.844 -15.926 1.00 0.00 C ATOM 432 C TYR A 27 9.322 -35.635 -14.969 1.00 0.00 C ATOM 433 O TYR A 27 8.234 -35.383 -14.436 1.00 0.00 O ATOM 434 CB TYR A 27 8.215 -37.426 -16.523 1.00 0.00 C ATOM 435 CG TYR A 27 7.414 -36.399 -17.343 1.00 0.00 C ATOM 436 CD1 TYR A 27 7.880 -35.900 -18.549 1.00 0.00 C ATOM 437 CD2 TYR A 27 6.186 -35.935 -16.897 1.00 0.00 C ATOM 438 CE1 TYR A 27 7.154 -34.976 -19.274 1.00 0.00 C ATOM 439 CE2 TYR A 27 5.453 -35.013 -17.617 1.00 0.00 C ATOM 440 CZ TYR A 27 5.942 -34.534 -18.808 1.00 0.00 C ATOM 441 OH TYR A 27 5.241 -33.625 -19.531 1.00 0.00 O ATOM 0 H TYR A 27 9.632 -38.750 -15.049 1.00 0.00 H new ATOM 0 HA TYR A 27 10.131 -36.434 -16.740 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.457 -38.279 -17.158 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.590 -37.800 -15.712 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.831 -36.241 -18.930 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.792 -36.305 -15.962 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.541 -34.601 -20.210 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.499 -34.670 -17.245 1.00 0.00 H new ATOM 0 HH TYR A 27 4.404 -33.414 -19.068 1.00 0.00 H new ATOM 451 N ARG A 28 10.403 -34.885 -14.695 1.00 0.00 N ATOM 452 CA ARG A 28 10.340 -33.672 -13.871 1.00 0.00 C ATOM 453 C ARG A 28 9.757 -32.452 -14.626 1.00 0.00 C ATOM 454 O ARG A 28 10.180 -32.096 -15.729 1.00 0.00 O ATOM 455 CB ARG A 28 11.744 -33.397 -13.268 1.00 0.00 C ATOM 456 CG ARG A 28 11.796 -32.278 -12.192 1.00 0.00 C ATOM 457 CD ARG A 28 12.271 -30.905 -12.702 1.00 0.00 C ATOM 458 NE ARG A 28 11.503 -29.881 -11.993 1.00 0.00 N ATOM 459 CZ ARG A 28 11.844 -29.263 -10.898 1.00 0.00 C ATOM 460 NH1 ARG A 28 12.992 -29.326 -10.326 1.00 0.00 N ATOM 461 NH2 ARG A 28 10.972 -28.505 -10.357 1.00 0.00 N ATOM 0 H ARG A 28 11.339 -35.103 -15.038 1.00 0.00 H new ATOM 0 HA ARG A 28 9.636 -33.843 -13.056 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.119 -34.320 -12.827 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.424 -33.132 -14.078 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.802 -32.164 -11.760 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.458 -32.599 -11.388 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.338 -30.777 -12.521 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.118 -30.822 -13.778 1.00 0.00 H new ATOM 0 HE ARG A 28 10.604 -29.623 -12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.733 -29.899 -10.731 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.163 -28.803 -9.467 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.051 -28.402 -10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.196 -28.002 -9.499 1.00 0.00 H new ATOM 475 N ASN A 29 8.771 -31.802 -13.994 1.00 0.00 N ATOM 476 CA ASN A 29 8.063 -30.648 -14.551 1.00 0.00 C ATOM 477 C ASN A 29 8.774 -29.306 -14.249 1.00 0.00 C ATOM 478 O ASN A 29 9.312 -29.084 -13.162 1.00 0.00 O ATOM 479 CB ASN A 29 6.609 -30.687 -13.990 1.00 0.00 C ATOM 480 CG ASN A 29 5.769 -29.474 -14.388 1.00 0.00 C ATOM 481 OD1 ASN A 29 5.310 -28.735 -13.527 1.00 0.00 O ATOM 482 ND2 ASN A 29 5.544 -29.169 -15.653 1.00 0.00 N ATOM 0 H ASN A 29 8.440 -32.069 -13.067 1.00 0.00 H new ATOM 0 HA ASN A 29 8.051 -30.710 -15.639 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.116 -31.592 -14.344 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.649 -30.750 -12.903 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.001 -28.338 -15.889 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.913 -29.764 -16.395 1.00 0.00 H new ATOM 489 N ASP A 30 8.777 -28.415 -15.248 1.00 0.00 N ATOM 490 CA ASP A 30 9.332 -27.057 -15.158 1.00 0.00 C ATOM 491 C ASP A 30 8.609 -26.119 -14.167 1.00 0.00 C ATOM 492 O ASP A 30 9.220 -25.208 -13.610 1.00 0.00 O ATOM 493 CB ASP A 30 9.277 -26.420 -16.579 1.00 0.00 C ATOM 494 CG ASP A 30 10.013 -27.268 -17.611 1.00 0.00 C ATOM 495 OD1 ASP A 30 9.433 -28.241 -18.086 1.00 0.00 O ATOM 496 OD2 ASP A 30 11.168 -26.964 -17.909 1.00 0.00 O ATOM 0 H ASP A 30 8.383 -28.623 -16.166 1.00 0.00 H new ATOM 0 HA ASP A 30 10.347 -27.163 -14.776 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.237 -26.300 -16.883 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.717 -25.423 -16.547 1.00 0.00 H new ATOM 501 N ASP A 31 7.303 -26.331 -13.962 1.00 0.00 N ATOM 502 CA ASP A 31 6.439 -25.439 -13.186 1.00 0.00 C ATOM 503 C ASP A 31 6.364 -25.860 -11.703 1.00 0.00 C ATOM 504 O ASP A 31 6.669 -25.062 -10.816 1.00 0.00 O ATOM 505 CB ASP A 31 5.012 -25.427 -13.826 1.00 0.00 C ATOM 506 CG ASP A 31 5.056 -25.341 -15.351 1.00 0.00 C ATOM 507 OD1 ASP A 31 5.166 -26.393 -15.986 1.00 0.00 O ATOM 508 OD2 ASP A 31 4.982 -24.237 -15.881 1.00 0.00 O ATOM 0 H ASP A 31 6.811 -27.141 -14.338 1.00 0.00 H new ATOM 0 HA ASP A 31 6.865 -24.436 -13.211 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.477 -26.330 -13.531 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.448 -24.581 -13.434 1.00 0.00 H new ATOM 513 N GLU A 32 5.905 -27.089 -11.421 1.00 0.00 N ATOM 514 CA GLU A 32 5.909 -27.657 -10.069 1.00 0.00 C ATOM 515 C GLU A 32 7.297 -28.156 -9.602 1.00 0.00 C ATOM 516 O GLU A 32 8.198 -28.451 -10.394 1.00 0.00 O ATOM 517 CB GLU A 32 4.887 -28.824 -9.977 1.00 0.00 C ATOM 518 CG GLU A 32 3.403 -28.393 -10.196 1.00 0.00 C ATOM 519 CD GLU A 32 2.419 -29.533 -9.915 1.00 0.00 C ATOM 520 OE1 GLU A 32 2.283 -30.451 -10.724 1.00 0.00 O ATOM 521 OE2 GLU A 32 1.771 -29.522 -8.869 1.00 0.00 O ATOM 0 H GLU A 32 5.520 -27.716 -12.127 1.00 0.00 H new ATOM 0 HA GLU A 32 5.628 -26.842 -9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.147 -29.580 -10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.976 -29.294 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.173 -27.549 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.274 -28.050 -11.223 1.00 0.00 H new ATOM 528 N THR A 33 7.483 -28.246 -8.280 1.00 0.00 N ATOM 529 CA THR A 33 8.533 -29.094 -7.699 1.00 0.00 C ATOM 530 C THR A 33 7.969 -30.470 -7.290 1.00 0.00 C ATOM 531 O THR A 33 6.768 -30.623 -7.032 1.00 0.00 O ATOM 532 CB THR A 33 9.320 -28.400 -6.556 1.00 0.00 C ATOM 533 OG1 THR A 33 10.368 -29.249 -6.112 1.00 0.00 O ATOM 534 CG2 THR A 33 8.513 -28.002 -5.325 1.00 0.00 C ATOM 0 H THR A 33 6.922 -27.743 -7.592 1.00 0.00 H new ATOM 0 HA THR A 33 9.272 -29.265 -8.481 1.00 0.00 H new ATOM 0 HB THR A 33 9.673 -27.473 -7.009 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.049 -29.799 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.170 -27.527 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.728 -27.304 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.063 -28.890 -4.882 1.00 0.00 H new ATOM 542 N CYS A 34 8.858 -31.469 -7.212 1.00 0.00 N ATOM 543 CA CYS A 34 8.503 -32.889 -7.118 1.00 0.00 C ATOM 544 C CYS A 34 7.628 -33.268 -5.913 1.00 0.00 C ATOM 545 O CYS A 34 6.711 -34.070 -6.060 1.00 0.00 O ATOM 546 CB CYS A 34 9.789 -33.752 -7.085 1.00 0.00 C ATOM 547 SG CYS A 34 10.740 -33.770 -8.627 1.00 0.00 S ATOM 0 H CYS A 34 9.865 -31.308 -7.213 1.00 0.00 H new ATOM 0 HA CYS A 34 7.901 -33.086 -8.005 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.432 -33.388 -6.284 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.515 -34.776 -6.833 1.00 0.00 H new ATOM 552 N GLU A 35 7.864 -32.659 -4.748 1.00 0.00 N ATOM 553 CA GLU A 35 7.276 -33.056 -3.467 1.00 0.00 C ATOM 554 C GLU A 35 5.759 -32.808 -3.367 1.00 0.00 C ATOM 555 O GLU A 35 5.028 -33.702 -2.946 1.00 0.00 O ATOM 556 CB GLU A 35 8.001 -32.286 -2.318 1.00 0.00 C ATOM 557 CG GLU A 35 9.553 -32.489 -2.180 1.00 0.00 C ATOM 558 CD GLU A 35 10.435 -31.877 -3.284 1.00 0.00 C ATOM 559 OE1 GLU A 35 10.012 -30.972 -4.015 1.00 0.00 O ATOM 560 OE2 GLU A 35 11.566 -32.344 -3.420 1.00 0.00 O ATOM 0 H GLU A 35 8.486 -31.855 -4.668 1.00 0.00 H new ATOM 0 HA GLU A 35 7.415 -34.134 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.811 -31.221 -2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.538 -32.575 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.867 -32.070 -1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.753 -33.560 -2.140 1.00 0.00 H new ATOM 567 N GLU A 36 5.274 -31.614 -3.736 1.00 0.00 N ATOM 568 CA GLU A 36 3.844 -31.273 -3.750 1.00 0.00 C ATOM 569 C GLU A 36 3.056 -32.060 -4.816 1.00 0.00 C ATOM 570 O GLU A 36 1.970 -32.591 -4.553 1.00 0.00 O ATOM 571 CB GLU A 36 3.685 -29.737 -3.949 1.00 0.00 C ATOM 572 CG GLU A 36 4.011 -28.867 -2.683 1.00 0.00 C ATOM 573 CD GLU A 36 5.429 -29.030 -2.117 1.00 0.00 C ATOM 574 OE1 GLU A 36 6.394 -29.016 -2.882 1.00 0.00 O ATOM 575 OE2 GLU A 36 5.548 -29.187 -0.906 1.00 0.00 O ATOM 0 H GLU A 36 5.873 -30.846 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 36 3.418 -31.563 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.335 -29.422 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.661 -29.530 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.858 -27.818 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.295 -29.114 -1.899 1.00 0.00 H new ATOM 582 N ARG A 37 3.655 -32.146 -6.013 1.00 0.00 N ATOM 583 CA ARG A 37 3.197 -33.025 -7.085 1.00 0.00 C ATOM 584 C ARG A 37 3.131 -34.498 -6.627 1.00 0.00 C ATOM 585 O ARG A 37 2.112 -35.155 -6.846 1.00 0.00 O ATOM 586 CB ARG A 37 4.134 -32.813 -8.308 1.00 0.00 C ATOM 587 CG ARG A 37 3.875 -33.788 -9.475 1.00 0.00 C ATOM 588 CD ARG A 37 4.710 -33.506 -10.719 1.00 0.00 C ATOM 589 NE ARG A 37 4.712 -34.746 -11.494 1.00 0.00 N ATOM 590 CZ ARG A 37 5.630 -35.120 -12.335 1.00 0.00 C ATOM 591 NH1 ARG A 37 6.532 -34.348 -12.805 1.00 0.00 N ATOM 592 NH2 ARG A 37 5.644 -36.328 -12.726 1.00 0.00 N ATOM 0 H ARG A 37 4.479 -31.599 -6.261 1.00 0.00 H new ATOM 0 HA ARG A 37 2.176 -32.773 -7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.017 -31.791 -8.669 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.169 -32.919 -7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.078 -34.804 -9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.819 -33.746 -9.742 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.284 -32.686 -11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.725 -33.213 -10.449 1.00 0.00 H new ATOM 0 HE ARG A 37 3.920 -35.375 -11.363 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.563 -33.368 -12.523 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.222 -34.711 -13.463 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.944 -36.984 -12.380 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.356 -36.642 -13.386 1.00 0.00 H new ATOM 606 N ALA A 38 4.170 -35.047 -5.987 1.00 0.00 N ATOM 607 CA ALA A 38 4.136 -36.401 -5.441 1.00 0.00 C ATOM 608 C ALA A 38 3.372 -36.616 -4.123 1.00 0.00 C ATOM 609 O ALA A 38 3.045 -37.766 -3.823 1.00 0.00 O ATOM 610 CB ALA A 38 5.537 -36.975 -5.456 1.00 0.00 C ATOM 0 H ALA A 38 5.055 -34.563 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 38 3.497 -36.978 -6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.520 -37.986 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.908 -37.002 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.192 -36.351 -4.849 1.00 0.00 H new ATOM 616 N ALA A 39 3.075 -35.580 -3.325 1.00 0.00 N ATOM 617 CA ALA A 39 1.995 -35.626 -2.333 1.00 0.00 C ATOM 618 C ALA A 39 0.602 -35.842 -2.970 1.00 0.00 C ATOM 619 O ALA A 39 -0.285 -36.435 -2.344 1.00 0.00 O ATOM 620 CB ALA A 39 2.019 -34.332 -1.496 1.00 0.00 C ATOM 0 H ALA A 39 3.575 -34.691 -3.350 1.00 0.00 H new ATOM 0 HA ALA A 39 2.171 -36.489 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.218 -34.362 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.979 -34.246 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.877 -33.472 -2.151 1.00 0.00 H new ATOM 626 N ARG A 40 0.405 -35.334 -4.198 1.00 0.00 N ATOM 627 CA ARG A 40 -0.729 -35.698 -5.056 1.00 0.00 C ATOM 628 C ARG A 40 -0.610 -37.113 -5.691 1.00 0.00 C ATOM 629 O ARG A 40 -1.615 -37.824 -5.688 1.00 0.00 O ATOM 630 CB ARG A 40 -0.883 -34.559 -6.099 1.00 0.00 C ATOM 631 CG ARG A 40 -2.107 -34.641 -7.039 1.00 0.00 C ATOM 632 CD ARG A 40 -2.234 -33.390 -7.932 1.00 0.00 C ATOM 633 NE ARG A 40 -1.146 -33.352 -8.917 1.00 0.00 N ATOM 634 CZ ARG A 40 -0.305 -32.371 -9.119 1.00 0.00 C ATOM 635 NH1 ARG A 40 -0.121 -31.394 -8.312 1.00 0.00 N ATOM 636 NH2 ARG A 40 0.426 -32.420 -10.164 1.00 0.00 N ATOM 0 H ARG A 40 1.035 -34.654 -4.624 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.635 -35.785 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.928 -33.611 -5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.017 -34.536 -6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.023 -35.528 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.014 -34.756 -6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.196 -33.397 -8.444 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.207 -32.491 -7.316 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.034 -34.177 -9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.650 -31.345 -7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.555 -30.665 -8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.343 -33.206 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.094 -31.673 -10.355 1.00 0.00 H new ATOM 650 N ILE A 41 0.531 -37.559 -6.265 1.00 0.00 N ATOM 651 CA ILE A 41 0.774 -38.970 -6.651 1.00 0.00 C ATOM 652 C ILE A 41 0.589 -40.013 -5.537 1.00 0.00 C ATOM 653 O ILE A 41 -0.152 -40.959 -5.786 1.00 0.00 O ATOM 654 CB ILE A 41 2.132 -39.176 -7.443 1.00 0.00 C ATOM 655 CG1 ILE A 41 2.002 -38.609 -8.866 1.00 0.00 C ATOM 656 CG2 ILE A 41 2.721 -40.582 -7.513 1.00 0.00 C ATOM 657 CD1 ILE A 41 2.780 -37.322 -8.940 1.00 0.00 C ATOM 0 H ILE A 41 1.317 -36.944 -6.476 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.043 -39.174 -7.344 1.00 0.00 H new ATOM 0 HB ILE A 41 2.850 -38.629 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.383 -39.324 -9.595 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.954 -38.433 -9.109 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.647 -40.560 -8.087 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.927 -40.941 -6.505 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.010 -41.251 -7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.699 -36.905 -9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.377 -36.611 -8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.828 -37.517 -8.712 1.00 0.00 H new ATOM 669 N LYS A 42 1.239 -39.852 -4.372 1.00 0.00 N ATOM 670 CA LYS A 42 1.207 -40.658 -3.138 1.00 0.00 C ATOM 671 C LYS A 42 0.140 -41.773 -3.022 1.00 0.00 C ATOM 672 O LYS A 42 -0.887 -41.744 -2.339 1.00 0.00 O ATOM 673 CB LYS A 42 1.092 -39.588 -2.027 1.00 0.00 C ATOM 674 CG LYS A 42 1.030 -40.016 -0.540 1.00 0.00 C ATOM 675 CD LYS A 42 0.761 -38.795 0.384 1.00 0.00 C ATOM 676 CE LYS A 42 -0.714 -38.378 0.598 1.00 0.00 C ATOM 677 NZ LYS A 42 -1.390 -38.057 -0.657 1.00 0.00 N ATOM 0 H LYS A 42 1.874 -39.062 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 42 2.100 -41.281 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.944 -38.916 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.196 -39.003 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.243 -40.758 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.969 -40.491 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.196 -39.008 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.298 -37.939 -0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.248 -39.186 1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.752 -37.513 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.313 -37.624 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.808 -37.390 -1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.530 -38.928 -1.208 1.00 0.00 H new ATOM 691 N ILE A 43 0.464 -42.745 -3.875 1.00 0.00 N ATOM 692 CA ILE A 43 -0.084 -44.105 -3.812 1.00 0.00 C ATOM 693 C ILE A 43 0.540 -44.872 -2.628 1.00 0.00 C ATOM 694 O ILE A 43 -0.157 -45.563 -1.882 1.00 0.00 O ATOM 695 CB ILE A 43 0.129 -44.850 -5.182 1.00 0.00 C ATOM 696 CG1 ILE A 43 -0.610 -44.119 -6.339 1.00 0.00 C ATOM 697 CG2 ILE A 43 -0.357 -46.326 -5.124 1.00 0.00 C ATOM 698 CD1 ILE A 43 -0.122 -44.505 -7.754 1.00 0.00 C ATOM 0 H ILE A 43 1.124 -42.610 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.159 -44.053 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 43 1.202 -44.843 -5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.676 -44.333 -6.265 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.491 -43.044 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.191 -46.802 -6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.199 -46.862 -4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.420 -46.350 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.691 -43.949 -8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.937 -44.265 -7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.267 -45.574 -7.910 1.00 0.00 H new ATOM 710 N GLY A 44 1.859 -44.720 -2.431 1.00 0.00 N ATOM 711 CA GLY A 44 2.564 -45.379 -1.324 1.00 0.00 C ATOM 712 C GLY A 44 3.890 -44.712 -0.894 1.00 0.00 C ATOM 713 O GLY A 44 4.466 -43.979 -1.707 1.00 0.00 O ATOM 0 H GLY A 44 2.458 -44.146 -3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.898 -45.415 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.771 -46.410 -1.610 1.00 0.00 H new ATOM 717 N PRO A 45 4.425 -44.929 0.338 1.00 0.00 N ATOM 718 CA PRO A 45 5.756 -44.458 0.782 1.00 0.00 C ATOM 719 C PRO A 45 6.935 -44.825 -0.144 1.00 0.00 C ATOM 720 O PRO A 45 7.783 -43.984 -0.456 1.00 0.00 O ATOM 721 CB PRO A 45 5.925 -45.115 2.163 1.00 0.00 C ATOM 722 CG PRO A 45 4.507 -45.125 2.682 1.00 0.00 C ATOM 723 CD PRO A 45 3.714 -45.568 1.456 1.00 0.00 C ATOM 0 HA PRO A 45 5.784 -43.368 0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.339 -46.120 2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.592 -44.543 2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.384 -45.815 3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.196 -44.141 3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.702 -46.653 1.356 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.675 -45.242 1.510 1.00 0.00 H new ATOM 731 N LYS A 46 6.954 -46.086 -0.600 1.00 0.00 N ATOM 732 CA LYS A 46 7.947 -46.599 -1.547 1.00 0.00 C ATOM 733 C LYS A 46 7.816 -45.947 -2.944 1.00 0.00 C ATOM 734 O LYS A 46 8.819 -45.753 -3.633 1.00 0.00 O ATOM 735 CB LYS A 46 7.805 -48.147 -1.607 1.00 0.00 C ATOM 736 CG LYS A 46 9.160 -48.856 -1.823 1.00 0.00 C ATOM 737 CD LYS A 46 9.009 -50.392 -1.924 1.00 0.00 C ATOM 738 CE LYS A 46 10.337 -51.168 -1.867 1.00 0.00 C ATOM 739 NZ LYS A 46 11.181 -50.802 -2.998 1.00 0.00 N ATOM 0 H LYS A 46 6.269 -46.786 -0.315 1.00 0.00 H new ATOM 0 HA LYS A 46 8.947 -46.337 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.355 -48.504 -0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.125 -48.415 -2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.624 -48.478 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.830 -48.612 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.367 -50.736 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.501 -50.634 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.854 -50.951 -0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.141 -52.240 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.013 -51.426 -3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.641 -50.903 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.492 -49.815 -2.894 1.00 0.00 H new ATOM 753 N CYS A 47 6.583 -45.564 -3.328 1.00 0.00 N ATOM 754 CA CYS A 47 6.284 -44.789 -4.536 1.00 0.00 C ATOM 755 C CYS A 47 6.870 -43.369 -4.413 1.00 0.00 C ATOM 756 O CYS A 47 7.720 -43.035 -5.240 1.00 0.00 O ATOM 757 CB CYS A 47 4.742 -44.759 -4.738 1.00 0.00 C ATOM 758 SG CYS A 47 3.996 -44.088 -6.254 1.00 0.00 S ATOM 0 H CYS A 47 5.749 -45.794 -2.788 1.00 0.00 H new ATOM 0 HA CYS A 47 6.743 -45.254 -5.409 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.389 -45.786 -4.639 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.324 -44.196 -3.903 1.00 0.00 H new ATOM 763 N VAL A 48 6.470 -42.534 -3.426 1.00 0.00 N ATOM 764 CA VAL A 48 7.115 -41.235 -3.165 1.00 0.00 C ATOM 765 C VAL A 48 8.653 -41.279 -3.092 1.00 0.00 C ATOM 766 O VAL A 48 9.317 -40.367 -3.587 1.00 0.00 O ATOM 767 CB VAL A 48 6.602 -40.501 -1.876 1.00 0.00 C ATOM 768 CG1 VAL A 48 6.189 -39.095 -2.250 1.00 0.00 C ATOM 769 CG2 VAL A 48 5.405 -41.107 -1.163 1.00 0.00 C ATOM 0 H VAL A 48 5.697 -42.744 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 48 6.816 -40.670 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 48 7.444 -40.573 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.830 -38.573 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.045 -38.562 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.393 -39.135 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.156 -40.502 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.552 -41.134 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.647 -42.121 -0.844 1.00 0.00 H new ATOM 779 N LYS A 49 9.224 -42.323 -2.473 1.00 0.00 N ATOM 780 CA LYS A 49 10.680 -42.513 -2.460 1.00 0.00 C ATOM 781 C LYS A 49 11.293 -42.920 -3.829 1.00 0.00 C ATOM 782 O LYS A 49 12.295 -42.303 -4.202 1.00 0.00 O ATOM 783 CB LYS A 49 11.068 -43.461 -1.300 1.00 0.00 C ATOM 784 CG LYS A 49 12.500 -43.203 -0.767 1.00 0.00 C ATOM 785 CD LYS A 49 12.594 -41.967 0.160 1.00 0.00 C ATOM 786 CE LYS A 49 14.035 -41.548 0.466 1.00 0.00 C ATOM 787 NZ LYS A 49 14.595 -40.871 -0.700 1.00 0.00 N ATOM 0 H LYS A 49 8.701 -43.045 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 49 11.133 -41.539 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.355 -43.341 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.992 -44.494 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.842 -44.083 -0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.176 -43.068 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.071 -41.132 -0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.079 -42.183 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.058 -40.886 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.635 -42.422 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.423 -40.311 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.884 -41.578 -1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.878 -40.241 -1.113 1.00 0.00 H new ATOM 801 N ALA A 50 10.760 -43.891 -4.610 1.00 0.00 N ATOM 802 CA ALA A 50 11.101 -44.100 -6.040 1.00 0.00 C ATOM 803 C ALA A 50 11.011 -42.765 -6.821 1.00 0.00 C ATOM 804 O ALA A 50 11.976 -42.368 -7.477 1.00 0.00 O ATOM 805 CB ALA A 50 10.117 -45.149 -6.620 1.00 0.00 C ATOM 0 H ALA A 50 10.073 -44.559 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 50 12.125 -44.462 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.347 -45.321 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.216 -46.084 -6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.096 -44.780 -6.527 1.00 0.00 H new ATOM 811 N PHE A 51 9.892 -42.032 -6.656 1.00 0.00 N ATOM 812 CA PHE A 51 9.652 -40.708 -7.244 1.00 0.00 C ATOM 813 C PHE A 51 10.750 -39.687 -6.878 1.00 0.00 C ATOM 814 O PHE A 51 11.368 -39.127 -7.784 1.00 0.00 O ATOM 815 CB PHE A 51 8.260 -40.215 -6.735 1.00 0.00 C ATOM 816 CG PHE A 51 7.622 -39.103 -7.580 1.00 0.00 C ATOM 817 CD1 PHE A 51 8.168 -37.833 -7.700 1.00 0.00 C ATOM 818 CD2 PHE A 51 6.488 -39.364 -8.326 1.00 0.00 C ATOM 819 CE1 PHE A 51 7.633 -36.885 -8.549 1.00 0.00 C ATOM 820 CE2 PHE A 51 5.957 -38.435 -9.174 1.00 0.00 C ATOM 821 CZ PHE A 51 6.524 -37.190 -9.301 1.00 0.00 C ATOM 0 H PHE A 51 9.108 -42.359 -6.091 1.00 0.00 H new ATOM 0 HA PHE A 51 9.670 -40.793 -8.331 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.578 -41.065 -6.704 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.369 -39.857 -5.711 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.037 -37.579 -7.112 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.009 -40.328 -8.236 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.085 -35.907 -8.622 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.079 -38.682 -9.753 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.105 -36.463 -9.981 1.00 0.00 H new ATOM 831 N LYS A 52 10.999 -39.434 -5.580 1.00 0.00 N ATOM 832 CA LYS A 52 12.009 -38.475 -5.120 1.00 0.00 C ATOM 833 C LYS A 52 13.452 -38.844 -5.531 1.00 0.00 C ATOM 834 O LYS A 52 14.234 -37.954 -5.886 1.00 0.00 O ATOM 835 CB LYS A 52 11.867 -38.271 -3.581 1.00 0.00 C ATOM 836 CG LYS A 52 12.854 -37.274 -2.906 1.00 0.00 C ATOM 837 CD LYS A 52 12.775 -35.829 -3.452 1.00 0.00 C ATOM 838 CE LYS A 52 13.818 -34.926 -2.800 1.00 0.00 C ATOM 839 NZ LYS A 52 13.782 -33.645 -3.496 1.00 0.00 N ATOM 0 H LYS A 52 10.499 -39.895 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 52 11.817 -37.529 -5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.851 -37.933 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.983 -39.241 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.657 -37.256 -1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.871 -37.644 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.925 -35.838 -4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.779 -35.425 -3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.602 -34.793 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.810 -35.373 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.672 -33.133 -3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.664 -33.808 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.985 -33.079 -3.141 1.00 0.00 H new ATOM 853 N ASP A 53 13.836 -40.130 -5.529 1.00 0.00 N ATOM 854 CA ASP A 53 15.174 -40.520 -5.976 1.00 0.00 C ATOM 855 C ASP A 53 15.363 -40.453 -7.510 1.00 0.00 C ATOM 856 O ASP A 53 16.428 -40.031 -7.985 1.00 0.00 O ATOM 857 CB ASP A 53 15.546 -41.866 -5.313 1.00 0.00 C ATOM 858 CG ASP A 53 15.826 -41.638 -3.830 1.00 0.00 C ATOM 859 OD1 ASP A 53 16.820 -40.995 -3.512 1.00 0.00 O ATOM 860 OD2 ASP A 53 15.055 -42.079 -2.978 1.00 0.00 O ATOM 0 H ASP A 53 13.245 -40.905 -5.227 1.00 0.00 H new ATOM 0 HA ASP A 53 15.900 -39.781 -5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.733 -42.582 -5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.423 -42.294 -5.799 1.00 0.00 H new ATOM 865 N CYS A 54 14.359 -40.832 -8.314 1.00 0.00 N ATOM 866 CA CYS A 54 14.334 -40.474 -9.736 1.00 0.00 C ATOM 867 C CYS A 54 14.240 -38.952 -10.010 1.00 0.00 C ATOM 868 O CYS A 54 14.788 -38.506 -11.019 1.00 0.00 O ATOM 869 CB CYS A 54 13.224 -41.245 -10.461 1.00 0.00 C ATOM 870 SG CYS A 54 13.656 -42.887 -11.106 1.00 0.00 S ATOM 0 H CYS A 54 13.559 -41.383 -8.004 1.00 0.00 H new ATOM 0 HA CYS A 54 15.302 -40.771 -10.140 1.00 0.00 H new ATOM 0 HB2 CYS A 54 12.385 -41.359 -9.774 1.00 0.00 H new ATOM 0 HB3 CYS A 54 12.874 -40.634 -11.293 1.00 0.00 H new ATOM 875 N CYS A 55 13.566 -38.141 -9.172 1.00 0.00 N ATOM 876 CA CYS A 55 13.665 -36.669 -9.191 1.00 0.00 C ATOM 877 C CYS A 55 15.109 -36.158 -8.966 1.00 0.00 C ATOM 878 O CYS A 55 15.528 -35.199 -9.624 1.00 0.00 O ATOM 879 CB CYS A 55 12.692 -36.088 -8.132 1.00 0.00 C ATOM 880 SG CYS A 55 12.592 -34.281 -8.006 1.00 0.00 S ATOM 0 H CYS A 55 12.931 -38.493 -8.456 1.00 0.00 H new ATOM 0 HA CYS A 55 13.383 -36.323 -10.185 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.693 -36.468 -8.346 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.980 -36.480 -7.157 1.00 0.00 H new ATOM 885 N TYR A 56 15.876 -36.771 -8.045 1.00 0.00 N ATOM 886 CA TYR A 56 17.330 -36.576 -7.936 1.00 0.00 C ATOM 887 C TYR A 56 18.075 -36.902 -9.253 1.00 0.00 C ATOM 888 O TYR A 56 18.883 -36.071 -9.675 1.00 0.00 O ATOM 889 CB TYR A 56 17.858 -37.323 -6.655 1.00 0.00 C ATOM 890 CG TYR A 56 19.257 -37.962 -6.781 1.00 0.00 C ATOM 891 CD1 TYR A 56 20.431 -37.230 -6.697 1.00 0.00 C ATOM 892 CD2 TYR A 56 19.381 -39.321 -7.012 1.00 0.00 C ATOM 893 CE1 TYR A 56 21.668 -37.833 -6.852 1.00 0.00 C ATOM 894 CE2 TYR A 56 20.610 -39.930 -7.167 1.00 0.00 C ATOM 895 CZ TYR A 56 21.756 -39.182 -7.097 1.00 0.00 C ATOM 896 OH TYR A 56 22.969 -39.762 -7.302 1.00 0.00 O ATOM 0 H TYR A 56 15.500 -37.419 -7.353 1.00 0.00 H new ATOM 0 HA TYR A 56 17.552 -35.519 -7.792 1.00 0.00 H new ATOM 0 HB2 TYR A 56 17.875 -36.616 -5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.144 -38.104 -6.393 1.00 0.00 H new ATOM 0 HD1 TYR A 56 20.380 -36.168 -6.507 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.487 -39.924 -7.073 1.00 0.00 H new ATOM 0 HE1 TYR A 56 22.568 -37.240 -6.780 1.00 0.00 H new ATOM 0 HE2 TYR A 56 20.668 -40.994 -7.343 1.00 0.00 H new ATOM 0 HH TYR A 56 22.850 -40.722 -7.460 1.00 0.00 H new ATOM 906 N ILE A 57 17.818 -38.046 -9.919 1.00 0.00 N ATOM 907 CA ILE A 57 18.331 -38.310 -11.284 1.00 0.00 C ATOM 908 C ILE A 57 17.932 -37.237 -12.314 1.00 0.00 C ATOM 909 O ILE A 57 18.793 -36.704 -13.018 1.00 0.00 O ATOM 910 CB ILE A 57 17.886 -39.733 -11.796 1.00 0.00 C ATOM 911 CG1 ILE A 57 18.372 -40.898 -10.907 1.00 0.00 C ATOM 912 CG2 ILE A 57 18.239 -40.049 -13.278 1.00 0.00 C ATOM 913 CD1 ILE A 57 19.881 -40.879 -10.629 1.00 0.00 C ATOM 0 H ILE A 57 17.257 -38.806 -9.534 1.00 0.00 H new ATOM 0 HA ILE A 57 19.417 -38.276 -11.195 1.00 0.00 H new ATOM 0 HB ILE A 57 16.801 -39.661 -11.728 1.00 0.00 H new ATOM 0 HG12 ILE A 57 17.837 -40.866 -9.958 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.113 -41.842 -11.387 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.890 -41.050 -13.530 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.756 -39.322 -13.930 1.00 0.00 H new ATOM 0 HG23 ILE A 57 19.319 -39.997 -13.414 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.146 -41.728 -9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.425 -40.943 -11.571 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.145 -39.952 -10.120 1.00 0.00 H new ATOM 925 N ALA A 58 16.636 -36.926 -12.383 1.00 0.00 N ATOM 926 CA ALA A 58 16.085 -35.892 -13.267 1.00 0.00 C ATOM 927 C ALA A 58 16.724 -34.500 -13.091 1.00 0.00 C ATOM 928 O ALA A 58 17.103 -33.875 -14.085 1.00 0.00 O ATOM 929 CB ALA A 58 14.579 -35.801 -13.041 1.00 0.00 C ATOM 0 H ALA A 58 15.927 -37.392 -11.818 1.00 0.00 H new ATOM 0 HA ALA A 58 16.318 -36.197 -14.287 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.159 -35.035 -13.693 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.118 -36.763 -13.267 1.00 0.00 H new ATOM 0 HB3 ALA A 58 14.382 -35.540 -12.001 1.00 0.00 H new ATOM 935 N ASN A 59 16.860 -34.005 -11.850 1.00 0.00 N ATOM 936 CA ASN A 59 17.555 -32.742 -11.580 1.00 0.00 C ATOM 937 C ASN A 59 19.083 -32.807 -11.793 1.00 0.00 C ATOM 938 O ASN A 59 19.675 -31.793 -12.166 1.00 0.00 O ATOM 939 CB ASN A 59 17.164 -32.169 -10.199 1.00 0.00 C ATOM 940 CG ASN A 59 15.685 -31.775 -10.206 1.00 0.00 C ATOM 941 OD1 ASN A 59 15.282 -30.729 -10.705 1.00 0.00 O ATOM 942 ND2 ASN A 59 14.810 -32.597 -9.671 1.00 0.00 N ATOM 0 H ASN A 59 16.495 -34.465 -11.016 1.00 0.00 H new ATOM 0 HA ASN A 59 17.208 -32.038 -12.336 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.350 -32.910 -9.421 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.781 -31.301 -9.966 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.818 -32.360 -9.676 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.123 -33.472 -9.251 1.00 0.00 H new ATOM 949 N GLN A 60 19.734 -33.964 -11.585 1.00 0.00 N ATOM 950 CA GLN A 60 21.119 -34.206 -12.015 1.00 0.00 C ATOM 951 C GLN A 60 21.276 -34.127 -13.552 1.00 0.00 C ATOM 952 O GLN A 60 22.170 -33.427 -14.035 1.00 0.00 O ATOM 953 CB GLN A 60 21.543 -35.590 -11.462 1.00 0.00 C ATOM 954 CG GLN A 60 23.027 -35.991 -11.668 1.00 0.00 C ATOM 955 CD GLN A 60 23.289 -37.376 -11.071 1.00 0.00 C ATOM 956 OE1 GLN A 60 23.404 -38.368 -11.778 1.00 0.00 O ATOM 957 NE2 GLN A 60 23.390 -37.512 -9.763 1.00 0.00 N ATOM 0 H GLN A 60 19.310 -34.762 -11.111 1.00 0.00 H new ATOM 0 HA GLN A 60 21.771 -33.427 -11.619 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.329 -35.611 -10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.916 -36.350 -11.928 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.266 -35.994 -12.731 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.679 -35.255 -11.197 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.297 -36.697 -9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.561 -38.432 -9.358 1.00 0.00 H new ATOM 966 N VAL A 61 20.409 -34.806 -14.324 1.00 0.00 N ATOM 967 CA VAL A 61 20.358 -34.698 -15.793 1.00 0.00 C ATOM 968 C VAL A 61 19.978 -33.277 -16.276 1.00 0.00 C ATOM 969 O VAL A 61 20.468 -32.830 -17.318 1.00 0.00 O ATOM 970 CB VAL A 61 19.423 -35.813 -16.382 1.00 0.00 C ATOM 971 CG1 VAL A 61 19.212 -35.748 -17.912 1.00 0.00 C ATOM 972 CG2 VAL A 61 19.992 -37.218 -16.087 1.00 0.00 C ATOM 0 H VAL A 61 19.717 -35.451 -13.942 1.00 0.00 H new ATOM 0 HA VAL A 61 21.364 -34.865 -16.179 1.00 0.00 H new ATOM 0 HB VAL A 61 18.466 -35.631 -15.892 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.552 -36.558 -18.223 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.762 -34.791 -18.177 1.00 0.00 H new ATOM 0 HG13 VAL A 61 20.173 -35.849 -18.416 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.328 -37.975 -16.504 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.979 -37.313 -16.539 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.071 -37.360 -15.009 1.00 0.00 H new ATOM 982 N ARG A 62 19.112 -32.547 -15.554 1.00 0.00 N ATOM 983 CA ARG A 62 18.879 -31.113 -15.776 1.00 0.00 C ATOM 984 C ARG A 62 20.150 -30.263 -15.538 1.00 0.00 C ATOM 985 O ARG A 62 20.574 -29.560 -16.455 1.00 0.00 O ATOM 986 CB ARG A 62 17.728 -30.653 -14.845 1.00 0.00 C ATOM 987 CG ARG A 62 17.048 -29.314 -15.206 1.00 0.00 C ATOM 988 CD ARG A 62 15.981 -29.469 -16.293 1.00 0.00 C ATOM 989 NE ARG A 62 15.322 -28.174 -16.434 1.00 0.00 N ATOM 990 CZ ARG A 62 14.154 -27.966 -16.971 1.00 0.00 C ATOM 991 NH1 ARG A 62 13.406 -28.867 -17.486 1.00 0.00 N ATOM 992 NH2 ARG A 62 13.691 -26.782 -16.999 1.00 0.00 N ATOM 0 H ARG A 62 18.552 -32.938 -14.797 1.00 0.00 H new ATOM 0 HA ARG A 62 18.605 -30.963 -16.820 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.965 -31.432 -14.834 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.119 -30.575 -13.831 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.591 -28.890 -14.312 1.00 0.00 H new ATOM 0 HG3 ARG A 62 17.805 -28.606 -15.543 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.433 -29.776 -17.236 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.261 -30.240 -16.019 1.00 0.00 H new ATOM 0 HE ARG A 62 15.822 -27.358 -16.080 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.713 -29.840 -17.497 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.503 -28.613 -17.886 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.233 -26.013 -16.605 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.778 -26.601 -17.416 1.00 0.00 H new ATOM 1006 N ALA A 63 20.791 -30.339 -14.355 1.00 0.00 N ATOM 1007 CA ALA A 63 22.010 -29.580 -14.032 1.00 0.00 C ATOM 1008 C ALA A 63 23.257 -29.946 -14.872 1.00 0.00 C ATOM 1009 O ALA A 63 24.205 -29.164 -14.952 1.00 0.00 O ATOM 1010 CB ALA A 63 22.303 -29.757 -12.528 1.00 0.00 C ATOM 0 H ALA A 63 20.472 -30.935 -13.591 1.00 0.00 H new ATOM 0 HA ALA A 63 21.809 -28.540 -14.287 1.00 0.00 H new ATOM 0 HB1 ALA A 63 23.204 -29.202 -12.265 1.00 0.00 H new ATOM 0 HB2 ALA A 63 21.462 -29.380 -11.947 1.00 0.00 H new ATOM 0 HB3 ALA A 63 22.451 -30.814 -12.308 1.00 0.00 H new ATOM 1016 N GLU A 64 23.280 -31.145 -15.470 1.00 0.00 N ATOM 1017 CA GLU A 64 24.227 -31.529 -16.522 1.00 0.00 C ATOM 1018 C GLU A 64 24.119 -30.674 -17.810 1.00 0.00 C ATOM 1019 O GLU A 64 25.101 -30.523 -18.539 1.00 0.00 O ATOM 1020 CB GLU A 64 23.926 -33.019 -16.823 1.00 0.00 C ATOM 1021 CG GLU A 64 24.890 -33.742 -17.809 1.00 0.00 C ATOM 1022 CD GLU A 64 24.434 -35.177 -18.078 1.00 0.00 C ATOM 1023 OE1 GLU A 64 23.535 -35.364 -18.895 1.00 0.00 O ATOM 1024 OE2 GLU A 64 24.980 -36.088 -17.460 1.00 0.00 O ATOM 0 H GLU A 64 22.626 -31.890 -15.230 1.00 0.00 H new ATOM 0 HA GLU A 64 25.247 -31.363 -16.176 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.932 -33.565 -15.879 1.00 0.00 H new ATOM 0 HB3 GLU A 64 22.915 -33.088 -17.224 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.935 -33.190 -18.748 1.00 0.00 H new ATOM 0 HG3 GLU A 64 25.898 -33.750 -17.395 1.00 0.00 H new