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 52 LYS NZ :NH3+ -172:sc= 2.07 (180deg=0.573) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0.995 USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0.942 USER MOD Set 2.2: A 23 TYR OH : rot 154:sc= 1.47 USER MOD Set 3.1: A 12 LYS NZ :NH3+ 169:sc= 3.44 (180deg=3.15) USER MOD Set 3.2: A 46 LYS NZ :NH3+ -138:sc= 1.8 (180deg=0.951) 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+ -157:sc= 1.09 (180deg=0.217) USER MOD Single : A 20 LYS NZ :NH3+ -155:sc= 1.19 (180deg=1.03) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.432 X(o=0.43,f=-0.012) USER MOD Single : A 33 THR OG1 : rot -49:sc= 1.16 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= 1.03 (180deg=0.894) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1) USER MOD Single : A 59 ASN : amide:sc= 1.06 K(o=1.1,f=-5!) USER MOD Single : A 60 GLN : amide:sc= 1.11 K(o=1.1,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 16.159 -43.894 -9.143 1.00 0.00 N ATOM 101 CA ILE A 6 15.721 -44.150 -10.534 1.00 0.00 C ATOM 102 C ILE A 6 16.065 -45.583 -10.969 1.00 0.00 C ATOM 103 O ILE A 6 15.224 -46.199 -11.619 1.00 0.00 O ATOM 104 CB ILE A 6 16.162 -43.174 -11.685 1.00 0.00 C ATOM 105 CG1 ILE A 6 17.593 -42.620 -11.567 1.00 0.00 C ATOM 106 CG2 ILE A 6 15.097 -42.099 -11.970 1.00 0.00 C ATOM 107 CD1 ILE A 6 18.213 -42.188 -12.916 1.00 0.00 C ATOM 0 HA ILE A 6 14.652 -43.964 -10.433 1.00 0.00 H new ATOM 0 HB ILE A 6 16.222 -43.799 -12.576 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.586 -41.765 -10.892 1.00 0.00 H new ATOM 0 HG13 ILE A 6 18.229 -43.380 -11.113 1.00 0.00 H new ATOM 0 HG21 ILE A 6 15.444 -41.447 -12.772 1.00 0.00 H new ATOM 0 HG22 ILE A 6 14.166 -42.580 -12.270 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.927 -41.508 -11.070 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.221 -41.809 -12.748 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.254 -43.045 -13.588 1.00 0.00 H new ATOM 0 HD13 ILE A 6 17.601 -41.405 -13.364 1.00 0.00 H new ATOM 119 N GLU A 7 17.248 -46.125 -10.620 1.00 0.00 N ATOM 120 CA GLU A 7 17.546 -47.546 -10.817 1.00 0.00 C ATOM 121 C GLU A 7 16.529 -48.448 -10.097 1.00 0.00 C ATOM 122 O GLU A 7 15.802 -49.133 -10.797 1.00 0.00 O ATOM 123 CB GLU A 7 18.985 -47.910 -10.375 1.00 0.00 C ATOM 124 CG GLU A 7 20.110 -47.316 -11.277 1.00 0.00 C ATOM 125 CD GLU A 7 21.513 -47.503 -10.683 1.00 0.00 C ATOM 126 OE1 GLU A 7 21.873 -48.615 -10.278 1.00 0.00 O ATOM 127 OE2 GLU A 7 22.246 -46.519 -10.606 1.00 0.00 O ATOM 0 H GLU A 7 18.011 -45.594 -10.200 1.00 0.00 H new ATOM 0 HA GLU A 7 17.468 -47.725 -11.889 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.136 -47.563 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.083 -48.995 -10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.070 -47.790 -12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 7 19.924 -46.253 -11.429 1.00 0.00 H new ATOM 134 N GLU A 8 16.366 -48.453 -8.767 1.00 0.00 N ATOM 135 CA GLU A 8 15.512 -49.426 -8.067 1.00 0.00 C ATOM 136 C GLU A 8 14.000 -49.329 -8.387 1.00 0.00 C ATOM 137 O GLU A 8 13.340 -50.374 -8.370 1.00 0.00 O ATOM 138 CB GLU A 8 15.832 -49.289 -6.547 1.00 0.00 C ATOM 139 CG GLU A 8 15.419 -50.484 -5.618 1.00 0.00 C ATOM 140 CD GLU A 8 14.160 -50.244 -4.776 1.00 0.00 C ATOM 141 OE1 GLU A 8 14.013 -49.183 -4.164 1.00 0.00 O ATOM 142 OE2 GLU A 8 13.313 -51.141 -4.719 1.00 0.00 O ATOM 0 H GLU A 8 16.821 -47.784 -8.146 1.00 0.00 H new ATOM 0 HA GLU A 8 15.748 -50.427 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.906 -49.133 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.341 -48.389 -6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.262 -51.368 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.249 -50.708 -4.948 1.00 0.00 H new ATOM 149 N GLU A 9 13.398 -48.165 -8.692 1.00 0.00 N ATOM 150 CA GLU A 9 12.013 -48.106 -9.193 1.00 0.00 C ATOM 151 C GLU A 9 11.896 -48.213 -10.725 1.00 0.00 C ATOM 152 O GLU A 9 11.127 -49.060 -11.181 1.00 0.00 O ATOM 153 CB GLU A 9 11.255 -46.900 -8.580 1.00 0.00 C ATOM 154 CG GLU A 9 10.253 -47.335 -7.451 1.00 0.00 C ATOM 155 CD GLU A 9 10.892 -47.912 -6.186 1.00 0.00 C ATOM 156 OE1 GLU A 9 11.377 -47.157 -5.340 1.00 0.00 O ATOM 157 OE2 GLU A 9 10.843 -49.135 -6.010 1.00 0.00 O ATOM 0 H GLU A 9 13.848 -47.254 -8.600 1.00 0.00 H new ATOM 0 HA GLU A 9 11.508 -49.006 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.975 -46.192 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.709 -46.380 -9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.652 -46.470 -7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.570 -48.078 -7.863 1.00 0.00 H new ATOM 164 N ALA A 10 12.585 -47.420 -11.558 1.00 0.00 N ATOM 165 CA ALA A 10 12.596 -47.639 -13.015 1.00 0.00 C ATOM 166 C ALA A 10 13.450 -48.837 -13.524 1.00 0.00 C ATOM 167 O ALA A 10 13.631 -48.972 -14.734 1.00 0.00 O ATOM 168 CB ALA A 10 12.896 -46.282 -13.703 1.00 0.00 C ATOM 0 H ALA A 10 13.141 -46.622 -11.250 1.00 0.00 H new ATOM 0 HA ALA A 10 11.604 -47.982 -13.310 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.910 -46.418 -14.784 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.123 -45.561 -13.437 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.866 -45.913 -13.371 1.00 0.00 H new ATOM 174 N ALA A 11 14.036 -49.720 -12.694 1.00 0.00 N ATOM 175 CA ALA A 11 14.317 -51.114 -13.077 1.00 0.00 C ATOM 176 C ALA A 11 13.059 -51.997 -13.130 1.00 0.00 C ATOM 177 O ALA A 11 12.820 -52.686 -14.126 1.00 0.00 O ATOM 178 CB ALA A 11 15.355 -51.755 -12.119 1.00 0.00 C ATOM 0 H ALA A 11 14.326 -49.488 -11.744 1.00 0.00 H new ATOM 0 HA ALA A 11 14.724 -51.065 -14.087 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.545 -52.784 -12.424 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.285 -51.188 -12.158 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.966 -51.744 -11.101 1.00 0.00 H new ATOM 184 N LYS A 12 12.215 -51.960 -12.088 1.00 0.00 N ATOM 185 CA LYS A 12 11.060 -52.852 -11.959 1.00 0.00 C ATOM 186 C LYS A 12 9.843 -52.368 -12.789 1.00 0.00 C ATOM 187 O LYS A 12 8.738 -52.132 -12.298 1.00 0.00 O ATOM 188 CB LYS A 12 10.745 -53.135 -10.453 1.00 0.00 C ATOM 189 CG LYS A 12 10.402 -51.895 -9.591 1.00 0.00 C ATOM 190 CD LYS A 12 9.853 -52.235 -8.185 1.00 0.00 C ATOM 191 CE LYS A 12 10.885 -52.679 -7.146 1.00 0.00 C ATOM 192 NZ LYS A 12 11.709 -51.528 -6.797 1.00 0.00 N ATOM 0 H LYS A 12 12.317 -51.308 -11.311 1.00 0.00 H new ATOM 0 HA LYS A 12 11.317 -53.815 -12.400 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.909 -53.832 -10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.606 -53.636 -10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.297 -51.283 -9.481 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.666 -51.290 -10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.333 -51.358 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.110 -53.026 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.387 -53.072 -6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.504 -53.482 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.289 -51.756 -5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.329 -51.290 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.097 -50.716 -6.580 1.00 0.00 H new ATOM 206 N TYR A 13 10.080 -52.292 -14.108 1.00 0.00 N ATOM 207 CA TYR A 13 9.125 -51.856 -15.138 1.00 0.00 C ATOM 208 C TYR A 13 7.749 -52.561 -15.148 1.00 0.00 C ATOM 209 O TYR A 13 6.768 -51.996 -15.648 1.00 0.00 O ATOM 210 CB TYR A 13 9.837 -51.968 -16.525 1.00 0.00 C ATOM 211 CG TYR A 13 10.253 -50.594 -17.085 1.00 0.00 C ATOM 212 CD1 TYR A 13 10.949 -49.650 -16.341 1.00 0.00 C ATOM 213 CD2 TYR A 13 9.905 -50.234 -18.379 1.00 0.00 C ATOM 214 CE1 TYR A 13 11.266 -48.414 -16.866 1.00 0.00 C ATOM 215 CE2 TYR A 13 10.219 -48.996 -18.907 1.00 0.00 C ATOM 216 CZ TYR A 13 10.898 -48.081 -18.141 1.00 0.00 C ATOM 217 OH TYR A 13 11.176 -46.833 -18.607 1.00 0.00 O ATOM 0 H TYR A 13 10.986 -52.545 -14.504 1.00 0.00 H new ATOM 0 HA TYR A 13 8.857 -50.827 -14.897 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.720 -52.600 -16.427 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.170 -52.459 -17.234 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.248 -49.888 -15.331 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.372 -50.944 -18.993 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.811 -47.702 -16.264 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.931 -48.749 -19.918 1.00 0.00 H new ATOM 0 HH TYR A 13 10.854 -46.749 -19.529 1.00 0.00 H new ATOM 227 N LYS A 14 7.698 -53.781 -14.593 1.00 0.00 N ATOM 228 CA LYS A 14 6.477 -54.504 -14.223 1.00 0.00 C ATOM 229 C LYS A 14 5.587 -53.727 -13.223 1.00 0.00 C ATOM 230 O LYS A 14 4.357 -53.754 -13.337 1.00 0.00 O ATOM 231 CB LYS A 14 6.945 -55.866 -13.625 1.00 0.00 C ATOM 232 CG LYS A 14 5.848 -56.855 -13.152 1.00 0.00 C ATOM 233 CD LYS A 14 4.983 -57.422 -14.296 1.00 0.00 C ATOM 234 CE LYS A 14 3.972 -58.432 -13.757 1.00 0.00 C ATOM 235 NZ LYS A 14 3.184 -58.908 -14.884 1.00 0.00 N ATOM 0 H LYS A 14 8.543 -54.311 -14.382 1.00 0.00 H new ATOM 0 HA LYS A 14 5.847 -54.641 -15.102 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.553 -56.372 -14.375 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.596 -55.655 -12.777 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.322 -57.682 -12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.200 -56.349 -12.436 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.460 -56.610 -14.800 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.621 -57.900 -15.039 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.483 -59.262 -13.269 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.329 -57.969 -13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.483 -59.600 -14.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.694 -58.106 -15.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.811 -59.359 -15.580 1.00 0.00 H new ATOM 249 N TYR A 15 6.172 -52.993 -12.262 1.00 0.00 N ATOM 250 CA TYR A 15 5.421 -52.152 -11.327 1.00 0.00 C ATOM 251 C TYR A 15 5.146 -50.766 -11.947 1.00 0.00 C ATOM 252 O TYR A 15 5.716 -49.709 -11.631 1.00 0.00 O ATOM 253 CB TYR A 15 6.138 -52.094 -9.962 1.00 0.00 C ATOM 254 CG TYR A 15 5.905 -53.409 -9.205 1.00 0.00 C ATOM 255 CD1 TYR A 15 4.779 -53.582 -8.419 1.00 0.00 C ATOM 256 CD2 TYR A 15 6.794 -54.466 -9.286 1.00 0.00 C ATOM 257 CE1 TYR A 15 4.551 -54.761 -7.738 1.00 0.00 C ATOM 258 CE2 TYR A 15 6.575 -55.650 -8.608 1.00 0.00 C ATOM 259 CZ TYR A 15 5.449 -55.793 -7.833 1.00 0.00 C ATOM 260 OH TYR A 15 5.212 -56.945 -7.156 1.00 0.00 O ATOM 0 H TYR A 15 7.181 -52.969 -12.115 1.00 0.00 H new ATOM 0 HA TYR A 15 4.443 -52.594 -11.137 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.206 -51.930 -10.107 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.763 -51.254 -9.377 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.063 -52.777 -8.337 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.681 -54.363 -9.894 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.665 -54.871 -7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.286 -56.459 -8.687 1.00 0.00 H new ATOM 0 HH TYR A 15 5.939 -57.580 -7.326 1.00 0.00 H new ATOM 270 N ALA A 16 4.162 -50.906 -12.847 1.00 0.00 N ATOM 271 CA ALA A 16 3.746 -49.902 -13.816 1.00 0.00 C ATOM 272 C ALA A 16 3.380 -48.542 -13.215 1.00 0.00 C ATOM 273 O ALA A 16 3.909 -47.523 -13.653 1.00 0.00 O ATOM 274 CB ALA A 16 2.581 -50.488 -14.642 1.00 0.00 C ATOM 0 H ALA A 16 3.615 -51.764 -12.916 1.00 0.00 H new ATOM 0 HA ALA A 16 4.605 -49.682 -14.450 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.250 -49.754 -15.377 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.916 -51.389 -15.155 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.753 -50.735 -13.978 1.00 0.00 H new ATOM 280 N MET A 17 2.538 -48.552 -12.176 1.00 0.00 N ATOM 281 CA MET A 17 2.122 -47.348 -11.459 1.00 0.00 C ATOM 282 C MET A 17 3.290 -46.653 -10.738 1.00 0.00 C ATOM 283 O MET A 17 3.346 -45.427 -10.731 1.00 0.00 O ATOM 284 CB MET A 17 0.999 -47.702 -10.452 1.00 0.00 C ATOM 285 CG MET A 17 -0.302 -48.174 -11.139 1.00 0.00 C ATOM 286 SD MET A 17 -1.601 -48.600 -9.949 1.00 0.00 S ATOM 287 CE MET A 17 -2.522 -47.043 -9.877 1.00 0.00 C ATOM 0 H MET A 17 2.123 -49.408 -11.807 1.00 0.00 H new ATOM 0 HA MET A 17 1.746 -46.641 -12.199 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.354 -48.485 -9.781 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.782 -46.829 -9.837 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.665 -47.388 -11.802 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.086 -49.042 -11.762 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.357 -47.146 -9.183 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.862 -46.245 -9.535 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.902 -46.799 -10.869 1.00 0.00 H new ATOM 297 N LEU A 18 4.260 -47.407 -10.202 1.00 0.00 N ATOM 298 CA LEU A 18 5.340 -46.857 -9.380 1.00 0.00 C ATOM 299 C LEU A 18 6.477 -46.253 -10.215 1.00 0.00 C ATOM 300 O LEU A 18 6.944 -45.150 -9.900 1.00 0.00 O ATOM 301 CB LEU A 18 5.849 -47.937 -8.390 1.00 0.00 C ATOM 302 CG LEU A 18 4.744 -48.527 -7.476 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.336 -49.597 -6.551 1.00 0.00 C ATOM 304 CD2 LEU A 18 4.038 -47.446 -6.637 1.00 0.00 C ATOM 0 H LEU A 18 4.315 -48.418 -10.328 1.00 0.00 H new ATOM 0 HA LEU A 18 4.933 -46.024 -8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.308 -48.747 -8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.630 -47.503 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 18 3.996 -48.977 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.550 -50.003 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.767 -50.398 -7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.112 -49.151 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.273 -47.910 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.768 -46.944 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.572 -46.717 -7.300 1.00 0.00 H new ATOM 316 N LYS A 19 6.940 -46.922 -11.282 1.00 0.00 N ATOM 317 CA LYS A 19 7.784 -46.212 -12.248 1.00 0.00 C ATOM 318 C LYS A 19 7.014 -45.124 -13.041 1.00 0.00 C ATOM 319 O LYS A 19 7.640 -44.151 -13.465 1.00 0.00 O ATOM 320 CB LYS A 19 8.618 -47.185 -13.131 1.00 0.00 C ATOM 321 CG LYS A 19 8.259 -47.390 -14.628 1.00 0.00 C ATOM 322 CD LYS A 19 7.079 -48.335 -14.908 1.00 0.00 C ATOM 323 CE LYS A 19 6.936 -48.565 -16.416 1.00 0.00 C ATOM 324 NZ LYS A 19 6.043 -49.694 -16.654 1.00 0.00 N ATOM 0 H LYS A 19 6.756 -47.903 -11.491 1.00 0.00 H new ATOM 0 HA LYS A 19 8.520 -45.652 -11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.654 -46.849 -13.091 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.582 -48.164 -12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.033 -46.417 -15.065 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.139 -47.774 -15.144 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.237 -49.287 -14.400 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.159 -47.909 -14.508 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.542 -47.669 -16.895 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.913 -48.760 -16.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.236 -50.098 -17.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.200 -50.420 -15.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.056 -49.370 -16.613 1.00 0.00 H new ATOM 338 N LYS A 20 5.686 -45.202 -13.256 1.00 0.00 N ATOM 339 CA LYS A 20 4.923 -44.049 -13.751 1.00 0.00 C ATOM 340 C LYS A 20 4.868 -42.916 -12.695 1.00 0.00 C ATOM 341 O LYS A 20 4.923 -41.759 -13.110 1.00 0.00 O ATOM 342 CB LYS A 20 3.510 -44.494 -14.210 1.00 0.00 C ATOM 343 CG LYS A 20 2.760 -43.502 -15.134 1.00 0.00 C ATOM 344 CD LYS A 20 1.583 -42.792 -14.426 1.00 0.00 C ATOM 345 CE LYS A 20 0.779 -41.862 -15.344 1.00 0.00 C ATOM 346 NZ LYS A 20 1.600 -40.715 -15.720 1.00 0.00 N ATOM 0 H LYS A 20 5.129 -46.041 -13.096 1.00 0.00 H new ATOM 0 HA LYS A 20 5.437 -43.639 -14.620 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.601 -45.448 -14.729 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.899 -44.670 -13.325 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.462 -42.753 -15.500 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.383 -44.039 -16.005 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.913 -43.545 -14.011 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.971 -42.213 -13.588 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.460 -42.402 -16.236 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.124 -41.524 -14.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.985 -39.912 -15.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.216 -40.453 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.185 -40.962 -16.543 1.00 0.00 H new ATOM 360 N CYS A 21 4.788 -43.169 -11.367 1.00 0.00 N ATOM 361 CA CYS A 21 5.054 -42.153 -10.329 1.00 0.00 C ATOM 362 C CYS A 21 6.433 -41.471 -10.469 1.00 0.00 C ATOM 363 O CYS A 21 6.520 -40.247 -10.319 1.00 0.00 O ATOM 364 CB CYS A 21 4.941 -42.763 -8.916 1.00 0.00 C ATOM 365 SG CYS A 21 3.272 -43.192 -8.350 1.00 0.00 S ATOM 0 H CYS A 21 4.537 -44.083 -10.989 1.00 0.00 H new ATOM 0 HA CYS A 21 4.292 -41.388 -10.475 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.554 -43.664 -8.883 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.372 -42.058 -8.205 1.00 0.00 H new ATOM 370 N CYS A 22 7.499 -42.243 -10.768 1.00 0.00 N ATOM 371 CA CYS A 22 8.778 -41.690 -11.260 1.00 0.00 C ATOM 372 C CYS A 22 8.559 -40.720 -12.411 1.00 0.00 C ATOM 373 O CYS A 22 8.933 -39.551 -12.326 1.00 0.00 O ATOM 374 CB CYS A 22 9.818 -42.797 -11.564 1.00 0.00 C ATOM 375 SG CYS A 22 11.544 -42.328 -11.230 1.00 0.00 S ATOM 0 H CYS A 22 7.498 -43.259 -10.676 1.00 0.00 H new ATOM 0 HA CYS A 22 9.218 -41.103 -10.454 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.574 -43.679 -10.972 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.729 -43.082 -12.612 1.00 0.00 H new ATOM 380 N TYR A 23 7.898 -41.159 -13.462 1.00 0.00 N ATOM 381 CA TYR A 23 7.778 -40.331 -14.648 1.00 0.00 C ATOM 382 C TYR A 23 6.799 -39.132 -14.491 1.00 0.00 C ATOM 383 O TYR A 23 6.973 -38.096 -15.143 1.00 0.00 O ATOM 384 CB TYR A 23 7.613 -41.308 -15.804 1.00 0.00 C ATOM 385 CG TYR A 23 8.752 -42.375 -15.861 1.00 0.00 C ATOM 386 CD1 TYR A 23 9.974 -42.386 -15.139 1.00 0.00 C ATOM 387 CD2 TYR A 23 8.583 -43.366 -16.811 1.00 0.00 C ATOM 388 CE1 TYR A 23 10.954 -43.313 -15.450 1.00 0.00 C ATOM 389 CE2 TYR A 23 9.564 -44.291 -17.105 1.00 0.00 C ATOM 390 CZ TYR A 23 10.756 -44.253 -16.430 1.00 0.00 C ATOM 391 OH TYR A 23 11.751 -45.127 -16.734 1.00 0.00 O ATOM 0 H TYR A 23 7.442 -42.069 -13.522 1.00 0.00 H new ATOM 0 HA TYR A 23 8.664 -39.734 -14.863 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.652 -41.814 -15.712 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.593 -40.754 -16.742 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.139 -41.671 -14.347 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.645 -43.418 -17.344 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.890 -43.296 -14.912 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.393 -45.041 -17.863 1.00 0.00 H new ATOM 0 HH TYR A 23 11.364 -45.948 -17.102 1.00 0.00 H new ATOM 401 N ASP A 24 5.823 -39.234 -13.565 1.00 0.00 N ATOM 402 CA ASP A 24 5.096 -38.086 -12.995 1.00 0.00 C ATOM 403 C ASP A 24 6.011 -37.085 -12.263 1.00 0.00 C ATOM 404 O ASP A 24 5.722 -35.888 -12.279 1.00 0.00 O ATOM 405 CB ASP A 24 3.981 -38.525 -11.998 1.00 0.00 C ATOM 406 CG ASP A 24 2.894 -39.419 -12.590 1.00 0.00 C ATOM 407 OD1 ASP A 24 2.559 -39.305 -13.774 1.00 0.00 O ATOM 408 OD2 ASP A 24 2.361 -40.227 -11.838 1.00 0.00 O ATOM 0 H ASP A 24 5.515 -40.130 -13.188 1.00 0.00 H new ATOM 0 HA ASP A 24 4.653 -37.596 -13.862 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.447 -39.051 -11.165 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.510 -37.631 -11.588 1.00 0.00 H new ATOM 413 N GLY A 25 7.056 -37.548 -11.561 1.00 0.00 N ATOM 414 CA GLY A 25 8.130 -36.682 -11.051 1.00 0.00 C ATOM 415 C GLY A 25 9.068 -36.115 -12.121 1.00 0.00 C ATOM 416 O GLY A 25 9.472 -34.959 -12.015 1.00 0.00 O ATOM 0 H GLY A 25 7.181 -38.534 -11.331 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.679 -35.852 -10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.723 -37.249 -10.333 1.00 0.00 H new ATOM 420 N ALA A 26 9.436 -36.915 -13.132 1.00 0.00 N ATOM 421 CA ALA A 26 10.279 -36.471 -14.248 1.00 0.00 C ATOM 422 C ALA A 26 9.671 -35.333 -15.095 1.00 0.00 C ATOM 423 O ALA A 26 10.394 -34.398 -15.454 1.00 0.00 O ATOM 424 CB ALA A 26 10.646 -37.672 -15.138 1.00 0.00 C ATOM 0 H ALA A 26 9.155 -37.893 -13.197 1.00 0.00 H new ATOM 0 HA ALA A 26 11.176 -36.046 -13.798 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.272 -37.335 -15.964 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.190 -38.409 -14.548 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.736 -38.124 -15.533 1.00 0.00 H new ATOM 430 N TYR A 27 8.371 -35.363 -15.433 1.00 0.00 N ATOM 431 CA TYR A 27 7.724 -34.250 -16.147 1.00 0.00 C ATOM 432 C TYR A 27 7.468 -32.987 -15.276 1.00 0.00 C ATOM 433 O TYR A 27 6.320 -32.598 -15.009 1.00 0.00 O ATOM 434 CB TYR A 27 6.428 -34.768 -16.838 1.00 0.00 C ATOM 435 CG TYR A 27 6.754 -35.614 -18.080 1.00 0.00 C ATOM 436 CD1 TYR A 27 6.902 -35.028 -19.326 1.00 0.00 C ATOM 437 CD2 TYR A 27 6.905 -36.988 -18.004 1.00 0.00 C ATOM 438 CE1 TYR A 27 7.189 -35.782 -20.447 1.00 0.00 C ATOM 439 CE2 TYR A 27 7.191 -37.751 -19.119 1.00 0.00 C ATOM 440 CZ TYR A 27 7.333 -37.142 -20.343 1.00 0.00 C ATOM 441 OH TYR A 27 7.613 -37.869 -21.453 1.00 0.00 O ATOM 0 H TYR A 27 7.749 -36.144 -15.224 1.00 0.00 H new ATOM 0 HA TYR A 27 8.426 -33.901 -16.904 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.850 -35.364 -16.131 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.804 -33.922 -17.126 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.791 -33.958 -19.423 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.796 -37.476 -17.047 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.300 -35.300 -21.407 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.303 -38.821 -19.030 1.00 0.00 H new ATOM 0 HH TYR A 27 7.685 -38.817 -21.214 1.00 0.00 H new ATOM 451 N ARG A 28 8.536 -32.298 -14.832 1.00 0.00 N ATOM 452 CA ARG A 28 8.452 -31.100 -13.974 1.00 0.00 C ATOM 453 C ARG A 28 7.925 -29.789 -14.622 1.00 0.00 C ATOM 454 O ARG A 28 8.521 -28.715 -14.511 1.00 0.00 O ATOM 455 CB ARG A 28 9.832 -30.888 -13.289 1.00 0.00 C ATOM 456 CG ARG A 28 9.981 -31.662 -11.958 1.00 0.00 C ATOM 457 CD ARG A 28 9.223 -31.016 -10.792 1.00 0.00 C ATOM 458 NE ARG A 28 9.918 -29.779 -10.438 1.00 0.00 N ATOM 459 CZ ARG A 28 9.425 -28.801 -9.740 1.00 0.00 C ATOM 460 NH1 ARG A 28 8.183 -28.663 -9.469 1.00 0.00 N ATOM 461 NH2 ARG A 28 10.231 -27.899 -9.348 1.00 0.00 N ATOM 0 H ARG A 28 9.494 -32.561 -15.062 1.00 0.00 H new ATOM 0 HA ARG A 28 7.667 -31.318 -13.250 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.621 -31.201 -13.973 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.976 -29.824 -13.101 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.620 -32.681 -12.096 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.038 -31.730 -11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.192 -30.807 -11.076 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.188 -31.692 -9.938 1.00 0.00 H new ATOM 0 HE ARG A 28 10.877 -29.675 -10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.508 -29.348 -9.808 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.867 -27.868 -8.914 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.221 -27.962 -9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.887 -27.112 -8.797 1.00 0.00 H new ATOM 475 N ASN A 29 6.731 -29.862 -15.229 1.00 0.00 N ATOM 476 CA ASN A 29 6.101 -28.750 -15.951 1.00 0.00 C ATOM 477 C ASN A 29 5.614 -27.570 -15.069 1.00 0.00 C ATOM 478 O ASN A 29 5.468 -26.465 -15.598 1.00 0.00 O ATOM 479 CB ASN A 29 4.928 -29.352 -16.785 1.00 0.00 C ATOM 480 CG ASN A 29 4.576 -28.513 -18.017 1.00 0.00 C ATOM 481 OD1 ASN A 29 4.641 -29.001 -19.137 1.00 0.00 O ATOM 482 ND2 ASN A 29 4.183 -27.257 -17.915 1.00 0.00 N ATOM 0 H ASN A 29 6.167 -30.712 -15.231 1.00 0.00 H new ATOM 0 HA ASN A 29 6.863 -28.291 -16.581 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.196 -30.360 -17.103 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.047 -29.442 -16.150 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.946 -26.727 -18.754 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.117 -26.816 -16.998 1.00 0.00 H new ATOM 489 N ASP A 30 5.304 -27.737 -13.771 1.00 0.00 N ATOM 490 CA ASP A 30 4.926 -26.619 -12.888 1.00 0.00 C ATOM 491 C ASP A 30 6.096 -25.684 -12.502 1.00 0.00 C ATOM 492 O ASP A 30 5.869 -24.537 -12.114 1.00 0.00 O ATOM 493 CB ASP A 30 4.194 -27.139 -11.611 1.00 0.00 C ATOM 494 CG ASP A 30 5.126 -27.873 -10.651 1.00 0.00 C ATOM 495 OD1 ASP A 30 5.497 -29.009 -10.947 1.00 0.00 O ATOM 496 OD2 ASP A 30 5.495 -27.299 -9.632 1.00 0.00 O ATOM 0 H ASP A 30 5.308 -28.645 -13.307 1.00 0.00 H new ATOM 0 HA ASP A 30 4.243 -26.007 -13.477 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.736 -26.297 -11.092 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.386 -27.808 -11.908 1.00 0.00 H new ATOM 501 N ASP A 31 7.332 -26.206 -12.535 1.00 0.00 N ATOM 502 CA ASP A 31 8.575 -25.519 -12.169 1.00 0.00 C ATOM 503 C ASP A 31 8.731 -24.938 -10.742 1.00 0.00 C ATOM 504 O ASP A 31 9.878 -24.657 -10.376 1.00 0.00 O ATOM 505 CB ASP A 31 8.992 -24.495 -13.270 1.00 0.00 C ATOM 506 CG ASP A 31 9.717 -25.197 -14.415 1.00 0.00 C ATOM 507 OD1 ASP A 31 10.847 -25.639 -14.189 1.00 0.00 O ATOM 508 OD2 ASP A 31 9.161 -25.277 -15.504 1.00 0.00 O ATOM 0 H ASP A 31 7.497 -27.167 -12.833 1.00 0.00 H new ATOM 0 HA ASP A 31 9.281 -26.348 -12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.108 -23.984 -13.652 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.639 -23.732 -12.837 1.00 0.00 H new ATOM 513 N GLU A 32 7.687 -24.704 -9.929 1.00 0.00 N ATOM 514 CA GLU A 32 7.829 -24.363 -8.503 1.00 0.00 C ATOM 515 C GLU A 32 8.320 -25.536 -7.608 1.00 0.00 C ATOM 516 O GLU A 32 9.463 -25.970 -7.783 1.00 0.00 O ATOM 517 CB GLU A 32 6.561 -23.605 -7.985 1.00 0.00 C ATOM 518 CG GLU A 32 5.182 -24.350 -8.104 1.00 0.00 C ATOM 519 CD GLU A 32 4.500 -24.588 -6.751 1.00 0.00 C ATOM 520 OE1 GLU A 32 5.079 -25.288 -5.913 1.00 0.00 O ATOM 521 OE2 GLU A 32 3.412 -24.061 -6.547 1.00 0.00 O ATOM 0 H GLU A 32 6.718 -24.746 -10.243 1.00 0.00 H new ATOM 0 HA GLU A 32 8.657 -23.660 -8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.721 -23.356 -6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.485 -22.663 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.516 -23.767 -8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.337 -25.309 -8.598 1.00 0.00 H new ATOM 528 N THR A 33 7.579 -26.117 -6.651 1.00 0.00 N ATOM 529 CA THR A 33 8.065 -27.211 -5.794 1.00 0.00 C ATOM 530 C THR A 33 7.511 -28.588 -6.200 1.00 0.00 C ATOM 531 O THR A 33 6.342 -28.749 -6.561 1.00 0.00 O ATOM 532 CB THR A 33 7.745 -26.969 -4.292 1.00 0.00 C ATOM 533 OG1 THR A 33 6.348 -26.903 -4.049 1.00 0.00 O ATOM 534 CG2 THR A 33 8.320 -25.669 -3.747 1.00 0.00 C ATOM 0 H THR A 33 6.619 -25.839 -6.449 1.00 0.00 H new ATOM 0 HA THR A 33 9.145 -27.216 -5.939 1.00 0.00 H new ATOM 0 HB THR A 33 8.204 -27.822 -3.792 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.933 -26.289 -4.690 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.057 -25.568 -2.694 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.405 -25.680 -3.850 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.911 -24.828 -4.306 1.00 0.00 H new ATOM 542 N CYS A 34 8.397 -29.591 -6.162 1.00 0.00 N ATOM 543 CA CYS A 34 8.027 -31.002 -6.298 1.00 0.00 C ATOM 544 C CYS A 34 7.131 -31.488 -5.139 1.00 0.00 C ATOM 545 O CYS A 34 6.150 -32.201 -5.348 1.00 0.00 O ATOM 546 CB CYS A 34 9.334 -31.828 -6.383 1.00 0.00 C ATOM 547 SG CYS A 34 9.098 -33.624 -6.491 1.00 0.00 S ATOM 0 H CYS A 34 9.398 -29.443 -6.035 1.00 0.00 H new ATOM 0 HA CYS A 34 7.435 -31.134 -7.203 1.00 0.00 H new ATOM 0 HB2 CYS A 34 9.899 -31.498 -7.254 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.943 -31.608 -5.506 1.00 0.00 H new ATOM 552 N GLU A 35 7.460 -31.061 -3.916 1.00 0.00 N ATOM 553 CA GLU A 35 6.809 -31.498 -2.685 1.00 0.00 C ATOM 554 C GLU A 35 5.354 -31.019 -2.502 1.00 0.00 C ATOM 555 O GLU A 35 4.609 -31.743 -1.848 1.00 0.00 O ATOM 556 CB GLU A 35 7.684 -31.056 -1.475 1.00 0.00 C ATOM 557 CG GLU A 35 9.079 -31.771 -1.328 1.00 0.00 C ATOM 558 CD GLU A 35 10.138 -31.469 -2.405 1.00 0.00 C ATOM 559 OE1 GLU A 35 10.094 -30.414 -3.045 1.00 0.00 O ATOM 560 OE2 GLU A 35 11.023 -32.311 -2.580 1.00 0.00 O ATOM 0 H GLU A 35 8.206 -30.384 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 35 6.730 -32.583 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.856 -29.982 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.115 -31.224 -0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.497 -31.502 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.908 -32.847 -1.314 1.00 0.00 H new ATOM 567 N GLU A 36 4.894 -29.861 -3.012 1.00 0.00 N ATOM 568 CA GLU A 36 3.466 -29.485 -2.978 1.00 0.00 C ATOM 569 C GLU A 36 2.638 -30.395 -3.916 1.00 0.00 C ATOM 570 O GLU A 36 1.635 -31.001 -3.519 1.00 0.00 O ATOM 571 CB GLU A 36 3.335 -27.972 -3.339 1.00 0.00 C ATOM 572 CG GLU A 36 1.957 -27.273 -3.051 1.00 0.00 C ATOM 573 CD GLU A 36 0.807 -27.624 -4.006 1.00 0.00 C ATOM 574 OE1 GLU A 36 1.004 -27.634 -5.220 1.00 0.00 O ATOM 575 OE2 GLU A 36 -0.296 -27.869 -3.512 1.00 0.00 O ATOM 0 H GLU A 36 5.494 -29.165 -3.455 1.00 0.00 H new ATOM 0 HA GLU A 36 3.061 -29.632 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.108 -27.429 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.554 -27.860 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.650 -27.527 -2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.108 -26.194 -3.078 1.00 0.00 H new ATOM 582 N ARG A 37 3.121 -30.466 -5.164 1.00 0.00 N ATOM 583 CA ARG A 37 2.705 -31.423 -6.190 1.00 0.00 C ATOM 584 C ARG A 37 2.625 -32.864 -5.637 1.00 0.00 C ATOM 585 O ARG A 37 1.556 -33.476 -5.678 1.00 0.00 O ATOM 586 CB ARG A 37 3.762 -31.244 -7.319 1.00 0.00 C ATOM 587 CG ARG A 37 3.759 -32.185 -8.548 1.00 0.00 C ATOM 588 CD ARG A 37 5.005 -31.862 -9.398 1.00 0.00 C ATOM 589 NE ARG A 37 5.147 -32.787 -10.524 1.00 0.00 N ATOM 590 CZ ARG A 37 5.273 -32.466 -11.781 1.00 0.00 C ATOM 591 NH1 ARG A 37 5.314 -31.282 -12.260 1.00 0.00 N ATOM 592 NH2 ARG A 37 5.424 -33.387 -12.642 1.00 0.00 N ATOM 0 H ARG A 37 3.844 -29.828 -5.497 1.00 0.00 H new ATOM 0 HA ARG A 37 1.696 -31.242 -6.560 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.665 -30.225 -7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.745 -31.322 -6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.774 -33.227 -8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.851 -32.044 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.935 -30.841 -9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.896 -31.912 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 37 5.147 -33.783 -10.303 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.245 -30.477 -11.637 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.416 -31.142 -13.265 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.445 -34.363 -12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.524 -33.151 -13.629 1.00 0.00 H new ATOM 606 N ALA A 38 3.701 -33.418 -5.063 1.00 0.00 N ATOM 607 CA ALA A 38 3.676 -34.746 -4.449 1.00 0.00 C ATOM 608 C ALA A 38 3.189 -34.848 -2.983 1.00 0.00 C ATOM 609 O ALA A 38 3.178 -35.943 -2.422 1.00 0.00 O ATOM 610 CB ALA A 38 5.008 -35.411 -4.736 1.00 0.00 C ATOM 0 H ALA A 38 4.610 -32.957 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 38 2.868 -35.307 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.022 -36.406 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.148 -35.494 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.813 -34.812 -4.310 1.00 0.00 H new ATOM 616 N ALA A 39 2.805 -33.759 -2.301 1.00 0.00 N ATOM 617 CA ALA A 39 1.818 -33.826 -1.216 1.00 0.00 C ATOM 618 C ALA A 39 0.398 -34.142 -1.730 1.00 0.00 C ATOM 619 O ALA A 39 -0.409 -34.718 -0.993 1.00 0.00 O ATOM 620 CB ALA A 39 1.819 -32.507 -0.418 1.00 0.00 C ATOM 0 H ALA A 39 3.164 -32.822 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 39 2.110 -34.648 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.084 -32.567 0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.808 -32.340 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.566 -31.680 -1.082 1.00 0.00 H new ATOM 626 N ARG A 40 0.059 -33.723 -2.961 1.00 0.00 N ATOM 627 CA ARG A 40 -1.163 -34.178 -3.644 1.00 0.00 C ATOM 628 C ARG A 40 -1.061 -35.635 -4.164 1.00 0.00 C ATOM 629 O ARG A 40 -2.036 -36.383 -4.064 1.00 0.00 O ATOM 630 CB ARG A 40 -1.531 -33.211 -4.808 1.00 0.00 C ATOM 631 CG ARG A 40 -1.566 -31.701 -4.451 1.00 0.00 C ATOM 632 CD ARG A 40 -2.645 -31.277 -3.452 1.00 0.00 C ATOM 633 NE ARG A 40 -2.391 -29.871 -3.147 1.00 0.00 N ATOM 634 CZ ARG A 40 -3.147 -29.079 -2.448 1.00 0.00 C ATOM 635 NH1 ARG A 40 -4.268 -29.404 -1.924 1.00 0.00 N ATOM 636 NH2 ARG A 40 -2.711 -27.895 -2.291 1.00 0.00 N ATOM 0 H ARG A 40 0.618 -33.066 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.958 -34.166 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.814 -33.357 -5.616 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.509 -33.496 -5.195 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.593 -31.420 -4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.706 -31.133 -5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.641 -31.409 -3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.599 -31.885 -2.549 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.531 -29.470 -3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.631 -30.350 -2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.799 -28.717 -1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.819 -27.621 -2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.253 -27.219 -1.753 1.00 0.00 H new ATOM 650 N ILE A 41 0.065 -36.061 -4.764 1.00 0.00 N ATOM 651 CA ILE A 41 0.346 -37.468 -5.102 1.00 0.00 C ATOM 652 C ILE A 41 0.647 -38.346 -3.863 1.00 0.00 C ATOM 653 O ILE A 41 1.754 -38.644 -3.415 1.00 0.00 O ATOM 654 CB ILE A 41 1.342 -37.665 -6.284 1.00 0.00 C ATOM 655 CG1 ILE A 41 0.838 -36.957 -7.560 1.00 0.00 C ATOM 656 CG2 ILE A 41 1.532 -39.112 -6.642 1.00 0.00 C ATOM 657 CD1 ILE A 41 1.665 -35.711 -7.721 1.00 0.00 C ATOM 0 H ILE A 41 0.818 -35.427 -5.032 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.595 -37.850 -5.499 1.00 0.00 H new ATOM 0 HB ILE A 41 2.285 -37.240 -5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.943 -37.606 -8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.220 -36.710 -7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.235 -39.192 -7.471 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.924 -39.652 -5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.575 -39.543 -6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.344 -35.174 -8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.535 -35.072 -6.847 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.716 -35.982 -7.819 1.00 0.00 H new ATOM 669 N LYS A 42 -0.519 -38.769 -3.398 1.00 0.00 N ATOM 670 CA LYS A 42 -0.752 -39.485 -2.142 1.00 0.00 C ATOM 671 C LYS A 42 -0.592 -41.023 -2.207 1.00 0.00 C ATOM 672 O LYS A 42 -0.574 -41.679 -1.165 1.00 0.00 O ATOM 673 CB LYS A 42 -2.206 -39.121 -1.704 1.00 0.00 C ATOM 674 CG LYS A 42 -2.413 -39.064 -0.167 1.00 0.00 C ATOM 675 CD LYS A 42 -1.912 -37.742 0.464 1.00 0.00 C ATOM 676 CE LYS A 42 -2.905 -36.588 0.289 1.00 0.00 C ATOM 677 NZ LYS A 42 -2.212 -35.358 0.646 1.00 0.00 N ATOM 0 H LYS A 42 -1.384 -38.614 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 42 0.014 -39.174 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.470 -38.154 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.894 -39.854 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.473 -39.187 0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.890 -39.901 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.728 -37.899 1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.959 -37.467 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.263 -36.542 -0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.779 -36.734 0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.904 -34.650 0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.535 -35.551 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.702 -34.993 -0.184 1.00 0.00 H new ATOM 691 N ILE A 43 -0.418 -41.597 -3.407 1.00 0.00 N ATOM 692 CA ILE A 43 -0.701 -43.010 -3.723 1.00 0.00 C ATOM 693 C ILE A 43 0.073 -44.053 -2.883 1.00 0.00 C ATOM 694 O ILE A 43 -0.534 -45.038 -2.452 1.00 0.00 O ATOM 695 CB ILE A 43 -0.519 -43.228 -5.271 1.00 0.00 C ATOM 696 CG1 ILE A 43 -1.388 -42.283 -6.165 1.00 0.00 C ATOM 697 CG2 ILE A 43 -0.700 -44.692 -5.749 1.00 0.00 C ATOM 698 CD1 ILE A 43 -2.925 -42.363 -5.979 1.00 0.00 C ATOM 0 H ILE A 43 -0.066 -41.077 -4.211 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.735 -43.196 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 43 0.528 -42.960 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.076 -41.256 -5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.160 -42.499 -7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.556 -44.743 -6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.033 -45.329 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.705 -45.034 -5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.410 -41.660 -6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.266 -43.374 -6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.181 -42.112 -4.950 1.00 0.00 H new ATOM 710 N GLY A 44 1.376 -43.882 -2.613 1.00 0.00 N ATOM 711 CA GLY A 44 2.119 -44.815 -1.749 1.00 0.00 C ATOM 712 C GLY A 44 3.583 -44.428 -1.443 1.00 0.00 C ATOM 713 O GLY A 44 4.131 -43.617 -2.194 1.00 0.00 O ATOM 0 H GLY A 44 1.935 -43.111 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.583 -44.911 -0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.114 -45.798 -2.219 1.00 0.00 H new ATOM 717 N PRO A 45 4.265 -44.973 -0.398 1.00 0.00 N ATOM 718 CA PRO A 45 5.676 -44.681 -0.050 1.00 0.00 C ATOM 719 C PRO A 45 6.704 -44.819 -1.192 1.00 0.00 C ATOM 720 O PRO A 45 7.490 -43.898 -1.437 1.00 0.00 O ATOM 721 CB PRO A 45 5.980 -45.678 1.083 1.00 0.00 C ATOM 722 CG PRO A 45 4.642 -45.792 1.775 1.00 0.00 C ATOM 723 CD PRO A 45 3.673 -45.876 0.599 1.00 0.00 C ATOM 0 HA PRO A 45 5.775 -43.629 0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.323 -46.639 0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.755 -45.308 1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.587 -46.676 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.438 -44.930 2.409 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.590 -46.894 0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.669 -45.559 0.882 1.00 0.00 H new ATOM 731 N LYS A 46 6.694 -45.962 -1.898 1.00 0.00 N ATOM 732 CA LYS A 46 7.502 -46.175 -3.102 1.00 0.00 C ATOM 733 C LYS A 46 7.132 -45.244 -4.274 1.00 0.00 C ATOM 734 O LYS A 46 8.007 -44.926 -5.082 1.00 0.00 O ATOM 735 CB LYS A 46 7.447 -47.659 -3.543 1.00 0.00 C ATOM 736 CG LYS A 46 8.472 -48.550 -2.809 1.00 0.00 C ATOM 737 CD LYS A 46 8.485 -49.971 -3.421 1.00 0.00 C ATOM 738 CE LYS A 46 9.698 -50.837 -3.047 1.00 0.00 C ATOM 739 NZ LYS A 46 10.904 -50.210 -3.579 1.00 0.00 N ATOM 0 H LYS A 46 6.120 -46.767 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 46 8.524 -45.917 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.444 -48.047 -3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.626 -47.719 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.465 -48.107 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.223 -48.605 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.579 -50.491 -3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.444 -49.881 -4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.771 -50.937 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.584 -51.842 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.524 -50.939 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.643 -49.526 -4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.406 -49.717 -2.813 1.00 0.00 H new ATOM 753 N CYS A 47 5.869 -44.794 -4.358 1.00 0.00 N ATOM 754 CA CYS A 47 5.430 -43.799 -5.337 1.00 0.00 C ATOM 755 C CYS A 47 6.043 -42.420 -5.037 1.00 0.00 C ATOM 756 O CYS A 47 6.723 -41.895 -5.921 1.00 0.00 O ATOM 757 CB CYS A 47 3.879 -43.745 -5.401 1.00 0.00 C ATOM 758 SG CYS A 47 3.184 -42.456 -6.473 1.00 0.00 S ATOM 0 H CYS A 47 5.123 -45.116 -3.742 1.00 0.00 H new ATOM 0 HA CYS A 47 5.789 -44.099 -6.321 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.513 -44.713 -5.743 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.496 -43.598 -4.391 1.00 0.00 H new ATOM 763 N VAL A 48 5.828 -41.821 -3.846 1.00 0.00 N ATOM 764 CA VAL A 48 6.538 -40.600 -3.433 1.00 0.00 C ATOM 765 C VAL A 48 8.072 -40.673 -3.545 1.00 0.00 C ATOM 766 O VAL A 48 8.680 -39.692 -3.969 1.00 0.00 O ATOM 767 CB VAL A 48 6.154 -40.046 -2.015 1.00 0.00 C ATOM 768 CG1 VAL A 48 5.542 -38.661 -2.167 1.00 0.00 C ATOM 769 CG2 VAL A 48 5.154 -40.866 -1.204 1.00 0.00 C ATOM 0 H VAL A 48 5.164 -42.168 -3.154 1.00 0.00 H new ATOM 0 HA VAL A 48 6.174 -39.891 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 48 7.096 -40.069 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.274 -38.272 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.264 -37.994 -2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.649 -38.724 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.974 -40.377 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.216 -40.944 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.557 -41.864 -1.031 1.00 0.00 H new ATOM 779 N LYS A 49 8.712 -41.794 -3.174 1.00 0.00 N ATOM 780 CA LYS A 49 10.152 -41.994 -3.407 1.00 0.00 C ATOM 781 C LYS A 49 10.593 -42.027 -4.887 1.00 0.00 C ATOM 782 O LYS A 49 11.546 -41.317 -5.234 1.00 0.00 O ATOM 783 CB LYS A 49 10.662 -43.229 -2.618 1.00 0.00 C ATOM 784 CG LYS A 49 11.198 -42.908 -1.194 1.00 0.00 C ATOM 785 CD LYS A 49 12.594 -42.225 -1.217 1.00 0.00 C ATOM 786 CE LYS A 49 12.572 -40.722 -0.924 1.00 0.00 C ATOM 787 NZ LYS A 49 13.837 -40.175 -1.399 1.00 0.00 N ATOM 0 H LYS A 49 8.253 -42.578 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 49 10.632 -41.094 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.850 -43.951 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.455 -43.709 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.489 -42.258 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.259 -43.831 -0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.236 -42.715 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.046 -42.385 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.732 -40.244 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.450 -40.539 0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.936 -39.194 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.623 -40.746 -1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.855 -40.195 -2.439 1.00 0.00 H new ATOM 801 N ALA A 50 9.926 -42.805 -5.762 1.00 0.00 N ATOM 802 CA ALA A 50 10.114 -42.743 -7.222 1.00 0.00 C ATOM 803 C ALA A 50 9.936 -41.300 -7.736 1.00 0.00 C ATOM 804 O ALA A 50 10.826 -40.766 -8.398 1.00 0.00 O ATOM 805 CB ALA A 50 9.058 -43.671 -7.869 1.00 0.00 C ATOM 0 H ALA A 50 9.237 -43.499 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 50 11.123 -43.063 -7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.169 -43.649 -8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.201 -44.690 -7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.059 -43.328 -7.600 1.00 0.00 H new ATOM 811 N PHE A 51 8.822 -40.665 -7.331 1.00 0.00 N ATOM 812 CA PHE A 51 8.478 -39.279 -7.655 1.00 0.00 C ATOM 813 C PHE A 51 9.584 -38.287 -7.245 1.00 0.00 C ATOM 814 O PHE A 51 10.118 -37.585 -8.104 1.00 0.00 O ATOM 815 CB PHE A 51 7.151 -38.956 -6.900 1.00 0.00 C ATOM 816 CG PHE A 51 6.331 -37.836 -7.542 1.00 0.00 C ATOM 817 CD1 PHE A 51 6.784 -36.531 -7.610 1.00 0.00 C ATOM 818 CD2 PHE A 51 5.136 -38.121 -8.171 1.00 0.00 C ATOM 819 CE1 PHE A 51 6.097 -35.561 -8.308 1.00 0.00 C ATOM 820 CE2 PHE A 51 4.449 -37.168 -8.861 1.00 0.00 C ATOM 821 CZ PHE A 51 4.926 -35.885 -8.946 1.00 0.00 C ATOM 0 H PHE A 51 8.118 -41.121 -6.751 1.00 0.00 H new ATOM 0 HA PHE A 51 8.364 -39.172 -8.734 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.542 -39.859 -6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.387 -38.678 -5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.700 -36.265 -7.103 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.736 -39.123 -8.115 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.478 -34.552 -8.353 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.519 -37.426 -9.346 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.386 -35.138 -9.509 1.00 0.00 H new ATOM 831 N LYS A 52 9.942 -38.254 -5.951 1.00 0.00 N ATOM 832 CA LYS A 52 10.910 -37.305 -5.399 1.00 0.00 C ATOM 833 C LYS A 52 12.327 -37.481 -5.985 1.00 0.00 C ATOM 834 O LYS A 52 12.996 -36.483 -6.269 1.00 0.00 O ATOM 835 CB LYS A 52 10.948 -37.460 -3.856 1.00 0.00 C ATOM 836 CG LYS A 52 11.186 -36.137 -3.095 1.00 0.00 C ATOM 837 CD LYS A 52 11.496 -36.429 -1.610 1.00 0.00 C ATOM 838 CE LYS A 52 11.458 -35.224 -0.658 1.00 0.00 C ATOM 839 NZ LYS A 52 12.324 -34.143 -1.126 1.00 0.00 N ATOM 0 H LYS A 52 9.561 -38.895 -5.255 1.00 0.00 H new ATOM 0 HA LYS A 52 10.583 -36.303 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.006 -37.894 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.736 -38.165 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.014 -35.592 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.305 -35.500 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.783 -37.171 -1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.486 -36.882 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.434 -34.860 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.771 -35.536 0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.381 -33.404 -0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.276 -34.518 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.932 -33.738 -2.000 1.00 0.00 H new ATOM 853 N ASP A 53 12.807 -38.719 -6.206 1.00 0.00 N ATOM 854 CA ASP A 53 14.136 -38.914 -6.792 1.00 0.00 C ATOM 855 C ASP A 53 14.191 -38.692 -8.319 1.00 0.00 C ATOM 856 O ASP A 53 15.187 -38.145 -8.808 1.00 0.00 O ATOM 857 CB ASP A 53 14.719 -40.254 -6.311 1.00 0.00 C ATOM 858 CG ASP A 53 15.140 -40.139 -4.843 1.00 0.00 C ATOM 859 OD1 ASP A 53 14.335 -40.398 -3.944 1.00 0.00 O ATOM 860 OD2 ASP A 53 16.288 -39.784 -4.593 1.00 0.00 O ATOM 0 H ASP A 53 12.303 -39.579 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 53 14.791 -38.124 -6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.978 -41.045 -6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.577 -40.529 -6.925 1.00 0.00 H new ATOM 865 N CYS A 54 13.151 -39.065 -9.083 1.00 0.00 N ATOM 866 CA CYS A 54 12.941 -38.530 -10.434 1.00 0.00 C ATOM 867 C CYS A 54 12.807 -36.988 -10.484 1.00 0.00 C ATOM 868 O CYS A 54 13.320 -36.398 -11.438 1.00 0.00 O ATOM 869 CB CYS A 54 11.716 -39.202 -11.085 1.00 0.00 C ATOM 870 SG CYS A 54 12.029 -40.610 -12.190 1.00 0.00 S ATOM 0 H CYS A 54 12.443 -39.736 -8.785 1.00 0.00 H new ATOM 0 HA CYS A 54 13.841 -38.768 -11.001 1.00 0.00 H new ATOM 0 HB2 CYS A 54 11.053 -39.539 -10.288 1.00 0.00 H new ATOM 0 HB3 CYS A 54 11.175 -38.443 -11.650 1.00 0.00 H new ATOM 875 N CYS A 55 12.149 -36.311 -9.519 1.00 0.00 N ATOM 876 CA CYS A 55 12.231 -34.847 -9.359 1.00 0.00 C ATOM 877 C CYS A 55 13.665 -34.319 -9.192 1.00 0.00 C ATOM 878 O CYS A 55 13.990 -33.295 -9.794 1.00 0.00 O ATOM 879 CB CYS A 55 11.425 -34.321 -8.150 1.00 0.00 C ATOM 880 SG CYS A 55 9.640 -34.148 -8.363 1.00 0.00 S ATOM 0 H CYS A 55 11.548 -36.765 -8.831 1.00 0.00 H new ATOM 0 HA CYS A 55 11.807 -34.479 -10.293 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.602 -34.991 -7.308 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.828 -33.347 -7.872 1.00 0.00 H new ATOM 885 N TYR A 56 14.515 -34.953 -8.366 1.00 0.00 N ATOM 886 CA TYR A 56 15.939 -34.601 -8.277 1.00 0.00 C ATOM 887 C TYR A 56 16.691 -34.760 -9.616 1.00 0.00 C ATOM 888 O TYR A 56 17.510 -33.899 -9.949 1.00 0.00 O ATOM 889 CB TYR A 56 16.647 -35.408 -7.154 1.00 0.00 C ATOM 890 CG TYR A 56 16.071 -35.221 -5.734 1.00 0.00 C ATOM 891 CD1 TYR A 56 15.323 -34.121 -5.325 1.00 0.00 C ATOM 892 CD2 TYR A 56 16.302 -36.202 -4.782 1.00 0.00 C ATOM 893 CE1 TYR A 56 14.831 -34.016 -4.038 1.00 0.00 C ATOM 894 CE2 TYR A 56 15.817 -36.104 -3.494 1.00 0.00 C ATOM 895 CZ TYR A 56 15.078 -35.007 -3.125 1.00 0.00 C ATOM 896 OH TYR A 56 14.602 -34.890 -1.856 1.00 0.00 O ATOM 0 H TYR A 56 14.237 -35.715 -7.748 1.00 0.00 H new ATOM 0 HA TYR A 56 15.971 -33.541 -8.025 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.602 -36.467 -7.408 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.700 -35.128 -7.139 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.122 -33.329 -6.031 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.881 -37.071 -5.058 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.251 -33.151 -3.751 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.018 -36.888 -2.778 1.00 0.00 H new ATOM 0 HH TYR A 56 14.863 -35.678 -1.335 1.00 0.00 H new ATOM 906 N ILE A 57 16.423 -35.827 -10.391 1.00 0.00 N ATOM 907 CA ILE A 57 16.918 -35.957 -11.777 1.00 0.00 C ATOM 908 C ILE A 57 16.412 -34.830 -12.698 1.00 0.00 C ATOM 909 O ILE A 57 17.207 -34.180 -13.381 1.00 0.00 O ATOM 910 CB ILE A 57 16.557 -37.364 -12.377 1.00 0.00 C ATOM 911 CG1 ILE A 57 17.011 -38.559 -11.501 1.00 0.00 C ATOM 912 CG2 ILE A 57 17.057 -37.577 -13.832 1.00 0.00 C ATOM 913 CD1 ILE A 57 18.478 -38.508 -11.050 1.00 0.00 C ATOM 0 H ILE A 57 15.861 -36.619 -10.078 1.00 0.00 H new ATOM 0 HA ILE A 57 18.003 -35.865 -11.727 1.00 0.00 H new ATOM 0 HB ILE A 57 15.467 -37.347 -12.390 1.00 0.00 H new ATOM 0 HG12 ILE A 57 16.375 -38.605 -10.617 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.849 -39.482 -12.058 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.769 -38.571 -14.174 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.611 -36.826 -14.484 1.00 0.00 H new ATOM 0 HG23 ILE A 57 18.143 -37.484 -13.861 1.00 0.00 H new ATOM 0 HD11 ILE A 57 18.703 -39.385 -10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.128 -38.497 -11.925 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.647 -37.606 -10.461 1.00 0.00 H new ATOM 925 N ALA A 58 15.095 -34.598 -12.694 1.00 0.00 N ATOM 926 CA ALA A 58 14.451 -33.493 -13.420 1.00 0.00 C ATOM 927 C ALA A 58 15.000 -32.097 -13.050 1.00 0.00 C ATOM 928 O ALA A 58 15.232 -31.271 -13.938 1.00 0.00 O ATOM 929 CB ALA A 58 12.947 -33.556 -13.168 1.00 0.00 C ATOM 0 H ALA A 58 14.435 -35.180 -12.179 1.00 0.00 H new ATOM 0 HA ALA A 58 14.677 -33.624 -14.478 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.455 -32.742 -13.700 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.558 -34.510 -13.524 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.753 -33.461 -12.100 1.00 0.00 H new ATOM 935 N ASN A 59 15.215 -31.833 -11.750 1.00 0.00 N ATOM 936 CA ASN A 59 15.848 -30.604 -11.265 1.00 0.00 C ATOM 937 C ASN A 59 17.321 -30.460 -11.704 1.00 0.00 C ATOM 938 O ASN A 59 17.756 -29.340 -11.980 1.00 0.00 O ATOM 939 CB ASN A 59 15.698 -30.495 -9.725 1.00 0.00 C ATOM 940 CG ASN A 59 15.851 -29.045 -9.267 1.00 0.00 C ATOM 941 OD1 ASN A 59 14.871 -28.320 -9.121 1.00 0.00 O ATOM 942 ND2 ASN A 59 17.056 -28.556 -9.047 1.00 0.00 N ATOM 0 H ASN A 59 14.950 -32.475 -11.003 1.00 0.00 H new ATOM 0 HA ASN A 59 15.323 -29.770 -11.731 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.723 -30.876 -9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.449 -31.117 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.167 -27.584 -8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.877 -29.150 -9.165 1.00 0.00 H new ATOM 949 N GLN A 60 18.099 -31.554 -11.748 1.00 0.00 N ATOM 950 CA GLN A 60 19.431 -31.574 -12.365 1.00 0.00 C ATOM 951 C GLN A 60 19.385 -31.277 -13.881 1.00 0.00 C ATOM 952 O GLN A 60 20.169 -30.458 -14.368 1.00 0.00 O ATOM 953 CB GLN A 60 20.073 -32.958 -12.057 1.00 0.00 C ATOM 954 CG GLN A 60 21.524 -33.192 -12.571 1.00 0.00 C ATOM 955 CD GLN A 60 22.535 -32.222 -11.953 1.00 0.00 C ATOM 956 OE1 GLN A 60 22.721 -32.146 -10.744 1.00 0.00 O ATOM 957 NE2 GLN A 60 23.240 -31.449 -12.753 1.00 0.00 N ATOM 0 H GLN A 60 17.818 -32.452 -11.354 1.00 0.00 H new ATOM 0 HA GLN A 60 20.043 -30.777 -11.942 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.069 -33.101 -10.976 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.433 -33.731 -12.483 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.824 -34.215 -12.345 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.542 -33.086 -13.656 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.100 -31.497 -13.762 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.926 -30.802 -12.363 1.00 0.00 H new ATOM 966 N VAL A 61 18.457 -31.909 -14.623 1.00 0.00 N ATOM 967 CA VAL A 61 18.232 -31.643 -16.053 1.00 0.00 C ATOM 968 C VAL A 61 17.825 -30.182 -16.343 1.00 0.00 C ATOM 969 O VAL A 61 18.528 -29.535 -17.125 1.00 0.00 O ATOM 970 CB VAL A 61 17.212 -32.677 -16.644 1.00 0.00 C ATOM 971 CG1 VAL A 61 16.771 -32.409 -18.102 1.00 0.00 C ATOM 972 CG2 VAL A 61 17.804 -34.102 -16.626 1.00 0.00 C ATOM 0 H VAL A 61 17.838 -32.624 -14.242 1.00 0.00 H new ATOM 0 HA VAL A 61 19.186 -31.776 -16.563 1.00 0.00 H new ATOM 0 HB VAL A 61 16.340 -32.571 -15.999 1.00 0.00 H new ATOM 0 HG11 VAL A 61 16.066 -33.179 -18.416 1.00 0.00 H new ATOM 0 HG12 VAL A 61 16.292 -31.432 -18.163 1.00 0.00 H new ATOM 0 HG13 VAL A 61 17.643 -32.427 -18.755 1.00 0.00 H new ATOM 0 HG21 VAL A 61 17.079 -34.802 -17.041 1.00 0.00 H new ATOM 0 HG22 VAL A 61 18.714 -34.125 -17.225 1.00 0.00 H new ATOM 0 HG23 VAL A 61 18.037 -34.386 -15.600 1.00 0.00 H new ATOM 982 N ARG A 62 16.766 -29.622 -15.724 1.00 0.00 N ATOM 983 CA ARG A 62 16.320 -28.243 -15.992 1.00 0.00 C ATOM 984 C ARG A 62 17.333 -27.144 -15.592 1.00 0.00 C ATOM 985 O ARG A 62 17.300 -26.049 -16.157 1.00 0.00 O ATOM 986 CB ARG A 62 14.911 -27.976 -15.383 1.00 0.00 C ATOM 987 CG ARG A 62 14.879 -27.808 -13.847 1.00 0.00 C ATOM 988 CD ARG A 62 13.459 -27.706 -13.286 1.00 0.00 C ATOM 989 NE ARG A 62 13.557 -27.472 -11.844 1.00 0.00 N ATOM 990 CZ ARG A 62 12.790 -26.691 -11.143 1.00 0.00 C ATOM 991 NH1 ARG A 62 11.872 -25.943 -11.621 1.00 0.00 N ATOM 992 NH2 ARG A 62 12.975 -26.672 -9.881 1.00 0.00 N ATOM 0 H ARG A 62 16.201 -30.110 -15.029 1.00 0.00 H new ATOM 0 HA ARG A 62 16.251 -28.173 -17.078 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.500 -27.075 -15.840 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.253 -28.801 -15.656 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.387 -28.654 -13.384 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.437 -26.913 -13.573 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.917 -26.893 -13.768 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.904 -28.622 -13.486 1.00 0.00 H new ATOM 0 HE ARG A 62 14.295 -27.967 -11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.697 -25.930 -12.626 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.314 -25.359 -10.998 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.701 -27.254 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.397 -26.074 -9.290 1.00 0.00 H new ATOM 1006 N ALA A 63 18.228 -27.406 -14.624 1.00 0.00 N ATOM 1007 CA ALA A 63 19.359 -26.528 -14.308 1.00 0.00 C ATOM 1008 C ALA A 63 20.435 -26.486 -15.416 1.00 0.00 C ATOM 1009 O ALA A 63 21.127 -25.480 -15.575 1.00 0.00 O ATOM 1010 CB ALA A 63 19.975 -26.995 -12.975 1.00 0.00 C ATOM 0 H ALA A 63 18.183 -28.239 -14.037 1.00 0.00 H new ATOM 0 HA ALA A 63 18.981 -25.509 -14.229 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.820 -26.355 -12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.224 -26.936 -12.187 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.318 -28.025 -13.074 1.00 0.00 H new ATOM 1016 N GLU A 64 20.597 -27.584 -16.168 1.00 0.00 N ATOM 1017 CA GLU A 64 21.457 -27.634 -17.351 1.00 0.00 C ATOM 1018 C GLU A 64 20.726 -27.159 -18.623 1.00 0.00 C ATOM 1019 O GLU A 64 21.219 -26.261 -19.307 1.00 0.00 O ATOM 1020 CB GLU A 64 22.005 -29.074 -17.515 1.00 0.00 C ATOM 1021 CG GLU A 64 22.981 -29.459 -16.362 1.00 0.00 C ATOM 1022 CD GLU A 64 23.406 -30.927 -16.401 1.00 0.00 C ATOM 1023 OE1 GLU A 64 24.107 -31.325 -17.327 1.00 0.00 O ATOM 1024 OE2 GLU A 64 23.046 -31.652 -15.474 1.00 0.00 O ATOM 0 H GLU A 64 20.129 -28.468 -15.968 1.00 0.00 H new ATOM 0 HA GLU A 64 22.289 -26.944 -17.207 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.174 -29.779 -17.537 1.00 0.00 H new ATOM 0 HB3 GLU A 64 22.521 -29.159 -18.471 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.868 -28.828 -16.419 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.503 -29.251 -15.405 1.00 0.00 H new