USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 453 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 51 THR OG1 : rot 107:sc= -3! USER MOD Set 1.2: A 69 MET CE :methyl 174:sc= -5.6! (180deg=-6.16!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0844 USER MOD Single : A 12 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.2) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -2.97! C(o=-4.2!,f=-3!) USER MOD Single : A 19 LYS NZ :NH3+ -111:sc= 0.137! (180deg=-4.61!) USER MOD Single : A 21 ASN : amide:sc= -0.0707 K(o=-0.071,f=-2.1!) USER MOD Single : A 22 MET CE :methyl 155:sc= -0.441 (180deg=-1.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.278 USER MOD Single : A 25 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-4.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.47! USER MOD Single : A 44 CYS SG : rot 128:sc= 1.09 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0102 (180deg=-0.54) USER MOD Single : A 68 LYS NZ :NH3+ 136:sc= 2.33 (180deg=-0.809!) USER MOD Single : A 74 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.8!) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0.362 (180deg=0.0405) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -31.920 19.580 19.673 1.00 0.00 N ATOM 122 CA PRO A 9 -32.241 18.246 19.118 1.00 0.00 C ATOM 123 C PRO A 9 -33.528 18.280 18.277 1.00 0.00 C ATOM 124 O PRO A 9 -34.463 19.026 18.562 1.00 0.00 O ATOM 125 CB PRO A 9 -32.424 17.377 20.364 1.00 0.00 C ATOM 126 CG PRO A 9 -32.770 18.344 21.521 1.00 0.00 C ATOM 127 CD PRO A 9 -32.261 19.734 21.105 1.00 0.00 C ATOM 0 HA PRO A 9 -31.467 17.874 18.446 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -33.220 16.648 20.216 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -31.515 16.817 20.584 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -33.845 18.364 21.700 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -32.298 18.021 22.449 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -33.024 20.499 21.253 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -31.392 20.032 21.692 1.00 0.00 H new ATOM 135 N ILE A 10 -33.592 17.474 17.249 1.00 0.00 N ATOM 136 CA ILE A 10 -34.814 17.446 16.384 1.00 0.00 C ATOM 137 C ILE A 10 -35.924 16.631 17.072 1.00 0.00 C ATOM 138 O ILE A 10 -37.064 17.083 17.180 1.00 0.00 O ATOM 139 CB ILE A 10 -34.466 16.816 15.026 1.00 0.00 C ATOM 140 CG1 ILE A 10 -33.287 17.564 14.384 1.00 0.00 C ATOM 141 CG2 ILE A 10 -35.675 16.905 14.094 1.00 0.00 C ATOM 142 CD1 ILE A 10 -33.669 19.028 14.139 1.00 0.00 C ATOM 0 H ILE A 10 -32.850 16.832 16.969 1.00 0.00 H new ATOM 0 HA ILE A 10 -35.170 18.464 16.228 1.00 0.00 H new ATOM 0 HB ILE A 10 -34.193 15.773 15.183 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -32.414 17.511 15.034 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -33.013 17.088 13.442 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -35.426 16.458 13.132 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -36.515 16.370 14.536 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -35.946 17.951 13.949 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -32.829 19.552 13.684 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -34.529 19.073 13.471 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -33.921 19.502 15.088 1.00 0.00 H new ATOM 154 N SER A 11 -35.617 15.443 17.542 1.00 0.00 N ATOM 155 CA SER A 11 -36.656 14.597 18.226 1.00 0.00 C ATOM 156 C SER A 11 -37.421 15.426 19.266 1.00 0.00 C ATOM 157 O SER A 11 -38.648 15.438 19.280 1.00 0.00 O ATOM 158 CB SER A 11 -35.984 13.408 18.921 1.00 0.00 C ATOM 159 OG SER A 11 -34.805 13.047 18.206 1.00 0.00 O ATOM 0 H SER A 11 -34.691 15.020 17.482 1.00 0.00 H new ATOM 0 HA SER A 11 -37.357 14.234 17.474 1.00 0.00 H new ATOM 0 HB2 SER A 11 -35.734 13.668 19.950 1.00 0.00 H new ATOM 0 HB3 SER A 11 -36.670 12.562 18.964 1.00 0.00 H new ATOM 0 HG SER A 11 -34.373 12.288 18.650 1.00 0.00 H new ATOM 165 N GLN A 12 -36.727 16.127 20.128 1.00 0.00 N ATOM 166 CA GLN A 12 -37.429 16.963 21.155 1.00 0.00 C ATOM 167 C GLN A 12 -38.333 17.985 20.451 1.00 0.00 C ATOM 168 O GLN A 12 -39.487 18.176 20.828 1.00 0.00 O ATOM 169 CB GLN A 12 -36.396 17.684 22.021 1.00 0.00 C ATOM 170 CG GLN A 12 -36.107 16.837 23.267 1.00 0.00 C ATOM 171 CD GLN A 12 -34.620 16.490 23.324 1.00 0.00 C ATOM 172 OE1 GLN A 12 -34.131 15.704 22.523 1.00 0.00 O ATOM 173 NE2 GLN A 12 -33.868 17.039 24.228 1.00 0.00 N ATOM 0 H GLN A 12 -35.708 16.158 20.166 1.00 0.00 H new ATOM 0 HA GLN A 12 -38.041 16.324 21.791 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -35.478 17.846 21.455 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -36.769 18.666 22.312 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -36.397 17.383 24.165 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -36.702 15.924 23.243 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -34.271 17.695 24.897 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -32.874 16.815 24.269 1.00 0.00 H new ATOM 182 N VAL A 13 -37.844 18.628 19.417 1.00 0.00 N ATOM 183 CA VAL A 13 -38.700 19.609 18.677 1.00 0.00 C ATOM 184 C VAL A 13 -39.932 18.865 18.149 1.00 0.00 C ATOM 185 O VAL A 13 -41.065 19.330 18.270 1.00 0.00 O ATOM 186 CB VAL A 13 -37.919 20.209 17.501 1.00 0.00 C ATOM 187 CG1 VAL A 13 -38.807 21.203 16.752 1.00 0.00 C ATOM 188 CG2 VAL A 13 -36.679 20.942 18.017 1.00 0.00 C ATOM 0 H VAL A 13 -36.897 18.517 19.056 1.00 0.00 H new ATOM 0 HA VAL A 13 -38.999 20.418 19.343 1.00 0.00 H new ATOM 0 HB VAL A 13 -37.614 19.404 16.832 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -38.252 21.629 15.916 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -39.691 20.689 16.375 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -39.112 22.001 17.429 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -36.130 21.365 17.176 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -36.984 21.743 18.691 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -36.039 20.241 18.552 1.00 0.00 H new ATOM 198 N HIS A 14 -39.731 17.695 17.597 1.00 0.00 N ATOM 199 CA HIS A 14 -40.881 16.891 17.101 1.00 0.00 C ATOM 200 C HIS A 14 -41.785 16.574 18.298 1.00 0.00 C ATOM 201 O HIS A 14 -43.010 16.600 18.200 1.00 0.00 O ATOM 202 CB HIS A 14 -40.360 15.590 16.480 1.00 0.00 C ATOM 203 CG HIS A 14 -39.858 15.857 15.089 1.00 0.00 C ATOM 204 ND1 HIS A 14 -38.756 16.528 14.625 1.00 0.00 N flip ATOM 205 CD2 HIS A 14 -40.525 15.402 13.967 1.00 0.00 C flip ATOM 206 CE1 HIS A 14 -38.736 16.491 13.234 1.00 0.00 C flip ATOM 207 NE2 HIS A 14 -39.824 15.800 12.888 1.00 0.00 N flip ATOM 0 H HIS A 14 -38.816 17.264 17.470 1.00 0.00 H new ATOM 0 HA HIS A 14 -41.440 17.441 16.344 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -39.558 15.179 17.093 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -41.155 14.845 16.453 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -41.442 14.831 13.957 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -37.999 16.927 12.576 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -40.092 15.598 11.925 1.00 0.00 H new ATOM 215 N GLU A 15 -41.188 16.301 19.433 1.00 0.00 N ATOM 216 CA GLU A 15 -41.975 16.002 20.666 1.00 0.00 C ATOM 217 C GLU A 15 -42.896 17.188 20.994 1.00 0.00 C ATOM 218 O GLU A 15 -44.116 17.055 20.996 1.00 0.00 O ATOM 219 CB GLU A 15 -41.009 15.758 21.833 1.00 0.00 C ATOM 220 CG GLU A 15 -41.329 14.412 22.492 1.00 0.00 C ATOM 221 CD GLU A 15 -42.723 14.447 23.108 1.00 0.00 C ATOM 222 OE1 GLU A 15 -42.858 14.960 24.209 1.00 0.00 O ATOM 223 OE2 GLU A 15 -43.643 13.941 22.483 1.00 0.00 O ATOM 0 H GLU A 15 -40.176 16.273 19.557 1.00 0.00 H new ATOM 0 HA GLU A 15 -42.585 15.113 20.504 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -39.980 15.763 21.474 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -41.095 16.562 22.564 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -41.270 13.613 21.753 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -40.589 14.190 23.261 1.00 0.00 H new ATOM 230 N ILE A 16 -42.345 18.353 21.259 1.00 0.00 N ATOM 231 CA ILE A 16 -43.211 19.535 21.578 1.00 0.00 C ATOM 232 C ILE A 16 -44.167 19.824 20.408 1.00 0.00 C ATOM 233 O ILE A 16 -45.324 20.196 20.615 1.00 0.00 O ATOM 234 CB ILE A 16 -42.344 20.772 21.862 1.00 0.00 C ATOM 235 CG1 ILE A 16 -41.253 20.920 20.797 1.00 0.00 C ATOM 236 CG2 ILE A 16 -41.689 20.633 23.235 1.00 0.00 C ATOM 237 CD1 ILE A 16 -41.546 22.144 19.928 1.00 0.00 C ATOM 0 H ILE A 16 -41.341 18.534 21.268 1.00 0.00 H new ATOM 0 HA ILE A 16 -43.798 19.304 22.467 1.00 0.00 H new ATOM 0 HB ILE A 16 -42.982 21.656 21.841 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -40.278 21.025 21.273 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -41.211 20.024 20.178 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -41.074 21.511 23.435 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -42.461 20.548 24.000 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -41.063 19.741 23.251 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -40.769 22.247 19.171 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -42.513 22.021 19.440 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -41.565 23.037 20.552 1.00 0.00 H new ATOM 249 N GLY A 17 -43.718 19.649 19.186 1.00 0.00 N ATOM 250 CA GLY A 17 -44.613 19.896 18.008 1.00 0.00 C ATOM 251 C GLY A 17 -45.794 18.917 18.058 1.00 0.00 C ATOM 252 O GLY A 17 -46.954 19.310 17.938 1.00 0.00 O ATOM 0 H GLY A 17 -42.772 19.346 18.954 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -44.976 20.924 18.021 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -44.057 19.766 17.080 1.00 0.00 H new ATOM 256 N ILE A 18 -45.515 17.654 18.256 1.00 0.00 N ATOM 257 CA ILE A 18 -46.605 16.626 18.345 1.00 0.00 C ATOM 258 C ILE A 18 -47.332 16.764 19.695 1.00 0.00 C ATOM 259 O ILE A 18 -48.544 16.579 19.792 1.00 0.00 O ATOM 260 CB ILE A 18 -45.980 15.225 18.251 1.00 0.00 C ATOM 261 CG1 ILE A 18 -45.356 15.019 16.864 1.00 0.00 C ATOM 262 CG2 ILE A 18 -47.051 14.159 18.489 1.00 0.00 C ATOM 263 CD1 ILE A 18 -46.448 15.015 15.790 1.00 0.00 C ATOM 0 H ILE A 18 -44.570 17.284 18.361 1.00 0.00 H new ATOM 0 HA ILE A 18 -47.315 16.773 17.532 1.00 0.00 H new ATOM 0 HB ILE A 18 -45.205 15.136 19.012 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -44.637 15.812 16.659 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -44.808 14.077 16.840 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -46.600 13.169 18.421 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -47.484 14.293 19.480 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -47.833 14.254 17.736 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -45.994 14.868 14.810 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -47.151 14.206 15.989 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -46.977 15.968 15.806 1.00 0.00 H new ATOM 275 N LYS A 19 -46.604 17.072 20.736 1.00 0.00 N ATOM 276 CA LYS A 19 -47.215 17.218 22.094 1.00 0.00 C ATOM 277 C LYS A 19 -48.253 18.351 22.103 1.00 0.00 C ATOM 278 O LYS A 19 -49.264 18.277 22.799 1.00 0.00 O ATOM 279 CB LYS A 19 -46.105 17.541 23.097 1.00 0.00 C ATOM 280 CG LYS A 19 -45.415 16.249 23.538 1.00 0.00 C ATOM 281 CD LYS A 19 -46.166 15.632 24.727 1.00 0.00 C ATOM 282 CE LYS A 19 -46.278 14.114 24.544 1.00 0.00 C ATOM 283 NZ LYS A 19 -44.918 13.502 24.576 1.00 0.00 N ATOM 0 H LYS A 19 -45.597 17.231 20.704 1.00 0.00 H new ATOM 0 HA LYS A 19 -47.716 16.288 22.363 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -45.379 18.216 22.645 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -46.522 18.055 23.963 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -45.386 15.542 22.709 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -44.382 16.456 23.817 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -45.642 15.857 25.656 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -47.160 16.071 24.808 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -46.898 13.688 25.333 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -46.767 13.887 23.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -44.675 13.146 23.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -44.222 14.218 24.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -44.908 12.714 25.255 1.00 0.00 H new ATOM 297 N ARG A 20 -48.020 19.398 21.355 1.00 0.00 N ATOM 298 CA ARG A 20 -48.994 20.531 21.326 1.00 0.00 C ATOM 299 C ARG A 20 -49.972 20.331 20.155 1.00 0.00 C ATOM 300 O ARG A 20 -51.132 19.986 20.358 1.00 0.00 O ATOM 301 CB ARG A 20 -48.226 21.854 21.162 1.00 0.00 C ATOM 302 CG ARG A 20 -47.863 22.422 22.542 1.00 0.00 C ATOM 303 CD ARG A 20 -48.387 23.855 22.672 1.00 0.00 C ATOM 304 NE ARG A 20 -47.567 24.764 21.810 1.00 0.00 N ATOM 305 CZ ARG A 20 -47.338 25.989 22.174 1.00 0.00 C ATOM 306 NH1 ARG A 20 -48.297 26.851 22.191 1.00 0.00 N ATOM 307 NH2 ARG A 20 -46.151 26.342 22.520 1.00 0.00 N ATOM 0 H ARG A 20 -47.198 19.518 20.763 1.00 0.00 H new ATOM 0 HA ARG A 20 -49.560 20.562 22.257 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -47.321 21.689 20.577 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -48.834 22.572 20.612 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -48.291 21.797 23.326 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -46.782 22.408 22.677 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -49.434 23.900 22.373 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -48.338 24.179 23.712 1.00 0.00 H new ATOM 0 HE ARG A 20 -47.185 24.418 20.930 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -49.239 26.571 21.918 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -48.113 27.813 22.478 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -45.392 25.660 22.508 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -45.968 27.304 22.806 1.00 0.00 H new ATOM 321 N ASN A 21 -49.510 20.532 18.942 1.00 0.00 N ATOM 322 CA ASN A 21 -50.373 20.355 17.721 1.00 0.00 C ATOM 323 C ASN A 21 -49.677 21.022 16.525 1.00 0.00 C ATOM 324 O ASN A 21 -50.163 22.012 15.972 1.00 0.00 O ATOM 325 CB ASN A 21 -51.756 21.006 17.923 1.00 0.00 C ATOM 326 CG ASN A 21 -52.737 20.462 16.881 1.00 0.00 C ATOM 327 OD1 ASN A 21 -52.342 19.813 15.919 1.00 0.00 O ATOM 328 ND2 ASN A 21 -54.007 20.691 17.022 1.00 0.00 N ATOM 0 H ASN A 21 -48.552 20.817 18.740 1.00 0.00 H new ATOM 0 HA ASN A 21 -50.514 19.289 17.542 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -52.124 20.797 18.928 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -51.676 22.089 17.831 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -54.669 20.332 16.335 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -54.342 21.230 17.820 1.00 0.00 H new ATOM 335 N MET A 22 -48.541 20.522 16.124 1.00 0.00 N ATOM 336 CA MET A 22 -47.820 21.149 14.978 1.00 0.00 C ATOM 337 C MET A 22 -47.336 20.073 13.997 1.00 0.00 C ATOM 338 O MET A 22 -46.888 18.999 14.388 1.00 0.00 O ATOM 339 CB MET A 22 -46.621 21.942 15.511 1.00 0.00 C ATOM 340 CG MET A 22 -47.094 23.315 15.997 1.00 0.00 C ATOM 341 SD MET A 22 -46.204 23.760 17.508 1.00 0.00 S ATOM 342 CE MET A 22 -46.095 25.537 17.187 1.00 0.00 C ATOM 0 H MET A 22 -48.082 19.710 16.537 1.00 0.00 H new ATOM 0 HA MET A 22 -48.500 21.818 14.451 1.00 0.00 H new ATOM 0 HB2 MET A 22 -46.146 21.399 16.328 1.00 0.00 H new ATOM 0 HB3 MET A 22 -45.872 22.059 14.728 1.00 0.00 H new ATOM 0 HG2 MET A 22 -46.920 24.065 15.226 1.00 0.00 H new ATOM 0 HG3 MET A 22 -48.167 23.296 16.187 1.00 0.00 H new ATOM 0 HE1 MET A 22 -45.996 26.072 18.132 1.00 0.00 H new ATOM 0 HE2 MET A 22 -45.226 25.741 16.562 1.00 0.00 H new ATOM 0 HE3 MET A 22 -46.997 25.870 16.674 1.00 0.00 H new ATOM 352 N THR A 23 -47.419 20.359 12.727 1.00 0.00 N ATOM 353 CA THR A 23 -46.969 19.386 11.681 1.00 0.00 C ATOM 354 C THR A 23 -45.477 19.091 11.833 1.00 0.00 C ATOM 355 O THR A 23 -45.038 17.951 11.699 1.00 0.00 O ATOM 356 CB THR A 23 -47.215 19.998 10.302 1.00 0.00 C ATOM 357 OG1 THR A 23 -47.174 21.418 10.405 1.00 0.00 O ATOM 358 CG2 THR A 23 -48.588 19.572 9.799 1.00 0.00 C ATOM 0 H THR A 23 -47.785 21.238 12.360 1.00 0.00 H new ATOM 0 HA THR A 23 -47.527 18.457 11.794 1.00 0.00 H new ATOM 0 HB THR A 23 -46.448 19.656 9.607 1.00 0.00 H new ATOM 0 HG1 THR A 23 -47.330 21.815 9.522 1.00 0.00 H new ATOM 0 HG21 THR A 23 -48.766 20.007 8.816 1.00 0.00 H new ATOM 0 HG22 THR A 23 -48.628 18.485 9.728 1.00 0.00 H new ATOM 0 HG23 THR A 23 -49.353 19.919 10.493 1.00 0.00 H new ATOM 366 N VAL A 24 -44.696 20.104 12.098 1.00 0.00 N ATOM 367 CA VAL A 24 -43.214 19.917 12.258 1.00 0.00 C ATOM 368 C VAL A 24 -42.609 19.458 10.921 1.00 0.00 C ATOM 369 O VAL A 24 -42.226 18.299 10.744 1.00 0.00 O ATOM 370 CB VAL A 24 -42.927 18.876 13.355 1.00 0.00 C ATOM 371 CG1 VAL A 24 -41.423 18.810 13.621 1.00 0.00 C ATOM 372 CG2 VAL A 24 -43.638 19.275 14.652 1.00 0.00 C ATOM 0 H VAL A 24 -45.020 21.064 12.213 1.00 0.00 H new ATOM 0 HA VAL A 24 -42.761 20.864 12.551 1.00 0.00 H new ATOM 0 HB VAL A 24 -43.289 17.904 13.020 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -41.223 18.072 14.398 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -40.904 18.523 12.706 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -41.068 19.787 13.949 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -43.430 18.534 15.424 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -43.278 20.250 14.979 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -44.713 19.325 14.477 1.00 0.00 H new ATOM 382 N HIS A 25 -42.519 20.346 9.968 1.00 0.00 N ATOM 383 CA HIS A 25 -41.944 19.966 8.641 1.00 0.00 C ATOM 384 C HIS A 25 -40.709 20.831 8.344 1.00 0.00 C ATOM 385 O HIS A 25 -40.799 22.055 8.232 1.00 0.00 O ATOM 386 CB HIS A 25 -42.991 20.178 7.540 1.00 0.00 C ATOM 387 CG HIS A 25 -44.170 19.263 7.743 1.00 0.00 C ATOM 388 ND1 HIS A 25 -44.134 18.166 8.590 1.00 0.00 N ATOM 389 CD2 HIS A 25 -45.430 19.273 7.201 1.00 0.00 C ATOM 390 CE1 HIS A 25 -45.338 17.568 8.531 1.00 0.00 C ATOM 391 NE2 HIS A 25 -46.165 18.203 7.699 1.00 0.00 N ATOM 0 H HIS A 25 -42.818 21.318 10.049 1.00 0.00 H new ATOM 0 HA HIS A 25 -41.654 18.916 8.667 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -43.325 21.216 7.544 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -42.543 19.991 6.564 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -43.339 17.867 9.155 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -45.796 20.002 6.494 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -45.602 16.682 9.089 1.00 0.00 H new ATOM 399 N PHE A 26 -39.563 20.218 8.211 1.00 0.00 N ATOM 400 CA PHE A 26 -38.317 20.993 7.914 1.00 0.00 C ATOM 401 C PHE A 26 -38.097 21.058 6.394 1.00 0.00 C ATOM 402 O PHE A 26 -38.465 20.140 5.655 1.00 0.00 O ATOM 403 CB PHE A 26 -37.121 20.291 8.564 1.00 0.00 C ATOM 404 CG PHE A 26 -36.979 20.735 9.999 1.00 0.00 C ATOM 405 CD1 PHE A 26 -36.281 21.909 10.302 1.00 0.00 C ATOM 406 CD2 PHE A 26 -37.539 19.969 11.027 1.00 0.00 C ATOM 407 CE1 PHE A 26 -36.143 22.317 11.634 1.00 0.00 C ATOM 408 CE2 PHE A 26 -37.402 20.377 12.359 1.00 0.00 C ATOM 409 CZ PHE A 26 -36.704 21.551 12.663 1.00 0.00 C ATOM 0 H PHE A 26 -39.433 19.210 8.295 1.00 0.00 H new ATOM 0 HA PHE A 26 -38.416 22.004 8.310 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -37.256 19.210 8.521 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -36.210 20.521 8.012 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -35.849 22.500 9.508 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -38.077 19.062 10.793 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -35.604 23.223 11.868 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -37.835 19.786 13.152 1.00 0.00 H new ATOM 0 HZ PHE A 26 -36.598 21.866 13.691 1.00 0.00 H new ATOM 419 N LYS A 27 -37.502 22.116 5.907 1.00 0.00 N ATOM 420 CA LYS A 27 -37.257 22.227 4.436 1.00 0.00 C ATOM 421 C LYS A 27 -36.126 23.227 4.152 1.00 0.00 C ATOM 422 O LYS A 27 -36.220 24.414 4.468 1.00 0.00 O ATOM 423 CB LYS A 27 -38.540 22.694 3.741 1.00 0.00 C ATOM 424 CG LYS A 27 -38.575 22.139 2.313 1.00 0.00 C ATOM 425 CD LYS A 27 -39.922 21.450 2.065 1.00 0.00 C ATOM 426 CE LYS A 27 -40.006 20.163 2.888 1.00 0.00 C ATOM 427 NZ LYS A 27 -39.761 18.992 1.994 1.00 0.00 N ATOM 0 H LYS A 27 -37.175 22.907 6.462 1.00 0.00 H new ATOM 0 HA LYS A 27 -36.963 21.250 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -39.413 22.353 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -38.580 23.783 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -38.429 22.945 1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -37.760 21.431 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -40.738 22.119 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -40.035 21.222 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -39.270 20.182 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -40.987 20.080 3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -39.817 18.114 2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -40.479 18.973 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -38.816 19.072 1.568 1.00 0.00 H new ATOM 441 N VAL A 28 -35.061 22.771 3.546 1.00 0.00 N ATOM 442 CA VAL A 28 -33.929 23.689 3.221 1.00 0.00 C ATOM 443 C VAL A 28 -34.307 24.535 2.002 1.00 0.00 C ATOM 444 O VAL A 28 -34.758 24.015 0.983 1.00 0.00 O ATOM 445 CB VAL A 28 -32.670 22.871 2.908 1.00 0.00 C ATOM 446 CG1 VAL A 28 -31.552 23.803 2.440 1.00 0.00 C ATOM 447 CG2 VAL A 28 -32.209 22.138 4.167 1.00 0.00 C ATOM 0 H VAL A 28 -34.926 21.801 3.262 1.00 0.00 H new ATOM 0 HA VAL A 28 -33.728 24.338 4.074 1.00 0.00 H new ATOM 0 HB VAL A 28 -32.900 22.150 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -30.659 23.218 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -31.871 24.332 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -31.327 24.525 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -31.314 21.557 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -31.984 22.864 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -32.999 21.470 4.509 1.00 0.00 H new ATOM 457 N LEU A 29 -34.129 25.824 2.084 1.00 0.00 N ATOM 458 CA LEU A 29 -34.476 26.701 0.925 1.00 0.00 C ATOM 459 C LEU A 29 -33.442 26.494 -0.178 1.00 0.00 C ATOM 460 O LEU A 29 -33.782 26.294 -1.341 1.00 0.00 O ATOM 461 CB LEU A 29 -34.479 28.180 1.355 1.00 0.00 C ATOM 462 CG LEU A 29 -35.087 28.333 2.754 1.00 0.00 C ATOM 463 CD1 LEU A 29 -35.271 29.815 3.068 1.00 0.00 C ATOM 464 CD2 LEU A 29 -36.454 27.651 2.817 1.00 0.00 C ATOM 0 H LEU A 29 -33.759 26.310 2.901 1.00 0.00 H new ATOM 0 HA LEU A 29 -35.470 26.441 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -33.460 28.568 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -35.048 28.772 0.638 1.00 0.00 H new ATOM 0 HG LEU A 29 -34.415 27.871 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -35.703 29.925 4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -34.304 30.317 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -35.937 30.263 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -36.873 27.768 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -37.122 28.108 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -36.342 26.590 2.592 1.00 0.00 H new ATOM 476 N ARG A 30 -32.186 26.536 0.175 1.00 0.00 N ATOM 477 CA ARG A 30 -31.104 26.342 -0.838 1.00 0.00 C ATOM 478 C ARG A 30 -29.742 26.683 -0.210 1.00 0.00 C ATOM 479 O ARG A 30 -29.499 27.816 0.214 1.00 0.00 O ATOM 480 CB ARG A 30 -31.371 27.253 -2.054 1.00 0.00 C ATOM 481 CG ARG A 30 -31.556 28.702 -1.579 1.00 0.00 C ATOM 482 CD ARG A 30 -31.875 29.616 -2.763 1.00 0.00 C ATOM 483 NE ARG A 30 -30.597 30.030 -3.420 1.00 0.00 N ATOM 484 CZ ARG A 30 -30.191 31.251 -3.344 1.00 0.00 C ATOM 485 NH1 ARG A 30 -30.556 32.103 -4.237 1.00 0.00 N ATOM 486 NH2 ARG A 30 -29.425 31.611 -2.374 1.00 0.00 N ATOM 0 H ARG A 30 -31.859 26.697 1.128 1.00 0.00 H new ATOM 0 HA ARG A 30 -31.091 25.303 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -30.540 27.193 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -32.262 26.917 -2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -32.362 28.751 -0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -30.650 29.046 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -32.514 29.097 -3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -32.425 30.494 -2.423 1.00 0.00 H new ATOM 0 HE ARG A 30 -30.044 29.342 -3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -31.165 31.811 -5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -30.237 33.070 -4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -29.141 30.931 -1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -29.102 32.576 -2.311 1.00 0.00 H new ATOM 631 N PHE A 40 -26.092 27.850 4.729 1.00 0.00 N ATOM 632 CA PHE A 40 -27.153 26.802 4.645 1.00 0.00 C ATOM 633 C PHE A 40 -28.471 27.345 5.208 1.00 0.00 C ATOM 634 O PHE A 40 -28.673 27.419 6.420 1.00 0.00 O ATOM 635 CB PHE A 40 -26.689 25.567 5.422 1.00 0.00 C ATOM 636 CG PHE A 40 -25.652 24.847 4.595 1.00 0.00 C ATOM 637 CD1 PHE A 40 -24.302 25.210 4.686 1.00 0.00 C ATOM 638 CD2 PHE A 40 -26.043 23.834 3.720 1.00 0.00 C ATOM 639 CE1 PHE A 40 -23.346 24.555 3.899 1.00 0.00 C ATOM 640 CE2 PHE A 40 -25.089 23.180 2.938 1.00 0.00 C ATOM 641 CZ PHE A 40 -23.741 23.539 3.025 1.00 0.00 C ATOM 0 HA PHE A 40 -27.324 26.524 3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -26.270 25.860 6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -27.533 24.909 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -23.998 25.995 5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -27.084 23.555 3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -22.305 24.835 3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -25.394 22.394 2.263 1.00 0.00 H new ATOM 0 HZ PHE A 40 -23.006 23.032 2.418 1.00 0.00 H new ATOM 651 N ILE A 41 -29.368 27.735 4.340 1.00 0.00 N ATOM 652 CA ILE A 41 -30.680 28.289 4.797 1.00 0.00 C ATOM 653 C ILE A 41 -31.692 27.150 4.951 1.00 0.00 C ATOM 654 O ILE A 41 -32.256 26.654 3.974 1.00 0.00 O ATOM 655 CB ILE A 41 -31.194 29.305 3.770 1.00 0.00 C ATOM 656 CG1 ILE A 41 -30.072 30.282 3.394 1.00 0.00 C ATOM 657 CG2 ILE A 41 -32.367 30.087 4.364 1.00 0.00 C ATOM 658 CD1 ILE A 41 -29.572 31.013 4.645 1.00 0.00 C ATOM 0 H ILE A 41 -29.248 27.694 3.328 1.00 0.00 H new ATOM 0 HA ILE A 41 -30.549 28.785 5.759 1.00 0.00 H new ATOM 0 HB ILE A 41 -31.523 28.772 2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -29.250 29.741 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -30.437 31.003 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -32.731 30.809 3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -33.170 29.397 4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -32.037 30.613 5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -28.776 31.704 4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -30.395 31.568 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -29.189 30.287 5.362 1.00 0.00 H new ATOM 670 N THR A 42 -31.932 26.726 6.160 1.00 0.00 N ATOM 671 CA THR A 42 -32.908 25.612 6.390 1.00 0.00 C ATOM 672 C THR A 42 -34.154 26.165 7.082 1.00 0.00 C ATOM 673 O THR A 42 -34.085 26.672 8.199 1.00 0.00 O ATOM 674 CB THR A 42 -32.265 24.534 7.271 1.00 0.00 C ATOM 675 OG1 THR A 42 -31.149 23.975 6.596 1.00 0.00 O ATOM 676 CG2 THR A 42 -33.274 23.424 7.552 1.00 0.00 C ATOM 0 H THR A 42 -31.496 27.100 7.003 1.00 0.00 H new ATOM 0 HA THR A 42 -33.188 25.172 5.433 1.00 0.00 H new ATOM 0 HB THR A 42 -31.946 24.987 8.210 1.00 0.00 H new ATOM 0 HG1 THR A 42 -30.737 23.287 7.159 1.00 0.00 H new ATOM 0 HG21 THR A 42 -32.811 22.661 8.178 1.00 0.00 H new ATOM 0 HG22 THR A 42 -34.139 23.841 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 42 -33.593 22.976 6.611 1.00 0.00 H new ATOM 684 N ALA A 43 -35.290 26.087 6.446 1.00 0.00 N ATOM 685 CA ALA A 43 -36.539 26.620 7.071 1.00 0.00 C ATOM 686 C ALA A 43 -37.362 25.479 7.693 1.00 0.00 C ATOM 687 O ALA A 43 -37.094 24.297 7.473 1.00 0.00 O ATOM 688 CB ALA A 43 -37.371 27.325 5.998 1.00 0.00 C ATOM 0 H ALA A 43 -35.410 25.677 5.520 1.00 0.00 H new ATOM 0 HA ALA A 43 -36.271 27.323 7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -38.284 27.717 6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -36.794 28.146 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -37.628 26.615 5.212 1.00 0.00 H new ATOM 694 N CYS A 44 -38.364 25.820 8.461 1.00 0.00 N ATOM 695 CA CYS A 44 -39.226 24.780 9.103 1.00 0.00 C ATOM 696 C CYS A 44 -40.637 25.343 9.322 1.00 0.00 C ATOM 697 O CYS A 44 -40.820 26.546 9.512 1.00 0.00 O ATOM 698 CB CYS A 44 -38.622 24.379 10.452 1.00 0.00 C ATOM 699 SG CYS A 44 -39.518 22.951 11.114 1.00 0.00 S ATOM 0 H CYS A 44 -38.625 26.783 8.673 1.00 0.00 H new ATOM 0 HA CYS A 44 -39.282 23.906 8.454 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -37.566 24.136 10.332 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -38.679 25.214 11.151 1.00 0.00 H new ATOM 0 HG CYS A 44 -38.673 22.011 11.418 1.00 0.00 H new ATOM 705 N ILE A 45 -41.637 24.503 9.300 1.00 0.00 N ATOM 706 CA ILE A 45 -43.036 24.993 9.513 1.00 0.00 C ATOM 707 C ILE A 45 -43.708 24.177 10.627 1.00 0.00 C ATOM 708 O ILE A 45 -43.546 22.956 10.718 1.00 0.00 O ATOM 709 CB ILE A 45 -43.834 24.870 8.203 1.00 0.00 C ATOM 710 CG1 ILE A 45 -45.222 25.516 8.374 1.00 0.00 C ATOM 711 CG2 ILE A 45 -43.988 23.398 7.804 1.00 0.00 C ATOM 712 CD1 ILE A 45 -46.205 24.534 9.025 1.00 0.00 C ATOM 0 H ILE A 45 -41.549 23.499 9.144 1.00 0.00 H new ATOM 0 HA ILE A 45 -43.011 26.041 9.812 1.00 0.00 H new ATOM 0 HB ILE A 45 -43.291 25.389 7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -45.137 26.413 8.988 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -45.604 25.829 7.402 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -44.555 23.330 6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -43.003 22.955 7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -44.516 22.861 8.592 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -47.178 25.013 9.135 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -46.305 23.649 8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -45.831 24.242 10.006 1.00 0.00 H new ATOM 724 N VAL A 46 -44.456 24.828 11.477 1.00 0.00 N ATOM 725 CA VAL A 46 -45.139 24.101 12.591 1.00 0.00 C ATOM 726 C VAL A 46 -46.574 24.627 12.764 1.00 0.00 C ATOM 727 O VAL A 46 -46.804 25.729 13.266 1.00 0.00 O ATOM 728 CB VAL A 46 -44.345 24.282 13.897 1.00 0.00 C ATOM 729 CG1 VAL A 46 -43.070 23.439 13.845 1.00 0.00 C ATOM 730 CG2 VAL A 46 -43.957 25.752 14.083 1.00 0.00 C ATOM 0 H VAL A 46 -44.625 25.834 11.450 1.00 0.00 H new ATOM 0 HA VAL A 46 -45.184 23.039 12.348 1.00 0.00 H new ATOM 0 HB VAL A 46 -44.971 23.963 14.731 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -42.510 23.569 14.771 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -43.333 22.388 13.725 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -42.457 23.758 13.002 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -43.396 25.866 15.011 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -43.340 26.074 13.244 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -44.858 26.363 14.127 1.00 0.00 H new ATOM 740 N GLY A 47 -47.547 23.858 12.348 1.00 0.00 N ATOM 741 CA GLY A 47 -48.975 24.298 12.481 1.00 0.00 C ATOM 742 C GLY A 47 -49.278 25.396 11.460 1.00 0.00 C ATOM 743 O GLY A 47 -49.541 25.121 10.292 1.00 0.00 O ATOM 0 H GLY A 47 -47.417 22.941 11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -49.642 23.450 12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -49.159 24.667 13.490 1.00 0.00 H new ATOM 747 N SER A 48 -49.244 26.631 11.880 1.00 0.00 N ATOM 748 CA SER A 48 -49.529 27.761 10.938 1.00 0.00 C ATOM 749 C SER A 48 -48.378 28.781 10.947 1.00 0.00 C ATOM 750 O SER A 48 -48.514 29.883 10.416 1.00 0.00 O ATOM 751 CB SER A 48 -50.816 28.465 11.369 1.00 0.00 C ATOM 752 OG SER A 48 -50.609 29.075 12.641 1.00 0.00 O ATOM 0 H SER A 48 -49.031 26.911 12.837 1.00 0.00 H new ATOM 0 HA SER A 48 -49.635 27.355 9.932 1.00 0.00 H new ATOM 0 HB2 SER A 48 -51.098 29.217 10.632 1.00 0.00 H new ATOM 0 HB3 SER A 48 -51.636 27.749 11.424 1.00 0.00 H new ATOM 0 HG SER A 48 -51.430 29.530 12.923 1.00 0.00 H new ATOM 758 N ILE A 49 -47.249 28.454 11.533 1.00 0.00 N ATOM 759 CA ILE A 49 -46.116 29.424 11.561 1.00 0.00 C ATOM 760 C ILE A 49 -44.871 28.787 10.915 1.00 0.00 C ATOM 761 O ILE A 49 -44.564 27.612 11.132 1.00 0.00 O ATOM 762 CB ILE A 49 -45.816 29.837 13.019 1.00 0.00 C ATOM 763 CG1 ILE A 49 -44.317 30.056 13.195 1.00 0.00 C ATOM 764 CG2 ILE A 49 -46.265 28.746 13.997 1.00 0.00 C ATOM 765 CD1 ILE A 49 -44.050 30.732 14.541 1.00 0.00 C ATOM 0 H ILE A 49 -47.067 27.560 11.990 1.00 0.00 H new ATOM 0 HA ILE A 49 -46.388 30.315 10.995 1.00 0.00 H new ATOM 0 HB ILE A 49 -46.362 30.757 13.228 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -43.792 29.102 13.146 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -43.932 30.674 12.384 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -46.044 29.059 15.017 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -47.338 28.582 13.892 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -45.733 27.820 13.778 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -42.978 30.887 14.664 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -44.562 31.694 14.573 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -44.419 30.097 15.347 1.00 0.00 H new ATOM 777 N VAL A 50 -44.151 29.548 10.133 1.00 0.00 N ATOM 778 CA VAL A 50 -42.920 29.011 9.470 1.00 0.00 C ATOM 779 C VAL A 50 -41.694 29.803 9.954 1.00 0.00 C ATOM 780 O VAL A 50 -41.798 30.974 10.313 1.00 0.00 O ATOM 781 CB VAL A 50 -43.047 29.155 7.945 1.00 0.00 C ATOM 782 CG1 VAL A 50 -42.142 28.134 7.263 1.00 0.00 C ATOM 783 CG2 VAL A 50 -44.493 28.902 7.503 1.00 0.00 C ATOM 0 H VAL A 50 -44.362 30.524 9.922 1.00 0.00 H new ATOM 0 HA VAL A 50 -42.803 27.958 9.726 1.00 0.00 H new ATOM 0 HB VAL A 50 -42.755 30.167 7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -42.231 28.234 6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -41.108 28.309 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -42.440 27.128 7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -44.566 29.008 6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -44.790 27.893 7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -45.152 29.625 7.984 1.00 0.00 H new ATOM 793 N THR A 51 -40.538 29.191 9.970 1.00 0.00 N ATOM 794 CA THR A 51 -39.302 29.915 10.430 1.00 0.00 C ATOM 795 C THR A 51 -38.101 29.533 9.557 1.00 0.00 C ATOM 796 O THR A 51 -37.973 28.393 9.104 1.00 0.00 O ATOM 797 CB THR A 51 -38.979 29.549 11.884 1.00 0.00 C ATOM 798 OG1 THR A 51 -38.901 28.139 12.013 1.00 0.00 O ATOM 799 CG2 THR A 51 -40.068 30.084 12.813 1.00 0.00 C ATOM 0 H THR A 51 -40.391 28.223 9.686 1.00 0.00 H new ATOM 0 HA THR A 51 -39.492 30.985 10.350 1.00 0.00 H new ATOM 0 HB THR A 51 -38.023 29.996 12.158 1.00 0.00 H new ATOM 0 HG1 THR A 51 -37.964 27.872 12.120 1.00 0.00 H new ATOM 0 HG21 THR A 51 -39.830 29.819 13.843 1.00 0.00 H new ATOM 0 HG22 THR A 51 -40.124 31.169 12.721 1.00 0.00 H new ATOM 0 HG23 THR A 51 -41.028 29.646 12.538 1.00 0.00 H new ATOM 807 N GLU A 52 -37.209 30.460 9.327 1.00 0.00 N ATOM 808 CA GLU A 52 -35.998 30.166 8.494 1.00 0.00 C ATOM 809 C GLU A 52 -34.769 29.984 9.404 1.00 0.00 C ATOM 810 O GLU A 52 -34.643 30.615 10.455 1.00 0.00 O ATOM 811 CB GLU A 52 -35.758 31.310 7.485 1.00 0.00 C ATOM 812 CG GLU A 52 -35.265 32.588 8.194 1.00 0.00 C ATOM 813 CD GLU A 52 -36.404 33.222 8.999 1.00 0.00 C ATOM 814 OE1 GLU A 52 -37.257 33.838 8.398 1.00 0.00 O ATOM 815 OE2 GLU A 52 -36.405 33.061 10.210 1.00 0.00 O ATOM 0 H GLU A 52 -37.265 31.415 9.681 1.00 0.00 H new ATOM 0 HA GLU A 52 -36.162 29.243 7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -35.023 30.996 6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -36.682 31.523 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -34.433 32.347 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -34.891 33.299 7.458 1.00 0.00 H new ATOM 822 N GLY A 53 -33.866 29.118 9.025 1.00 0.00 N ATOM 823 CA GLY A 53 -32.649 28.878 9.865 1.00 0.00 C ATOM 824 C GLY A 53 -31.401 29.366 9.126 1.00 0.00 C ATOM 825 O GLY A 53 -31.047 28.844 8.066 1.00 0.00 O ATOM 0 H GLY A 53 -33.916 28.565 8.170 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -32.745 29.399 10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -32.556 27.816 10.091 1.00 0.00 H new ATOM 829 N GLU A 54 -30.735 30.358 9.658 1.00 0.00 N ATOM 830 CA GLU A 54 -29.514 30.900 8.997 1.00 0.00 C ATOM 831 C GLU A 54 -28.247 30.265 9.604 1.00 0.00 C ATOM 832 O GLU A 54 -27.506 30.881 10.370 1.00 0.00 O ATOM 833 CB GLU A 54 -29.497 32.427 9.167 1.00 0.00 C ATOM 834 CG GLU A 54 -29.412 32.819 10.655 1.00 0.00 C ATOM 835 CD GLU A 54 -30.811 33.026 11.231 1.00 0.00 C ATOM 836 OE1 GLU A 54 -31.348 34.109 11.077 1.00 0.00 O ATOM 837 OE2 GLU A 54 -31.334 32.089 11.816 1.00 0.00 O ATOM 0 H GLU A 54 -30.989 30.819 10.531 1.00 0.00 H new ATOM 0 HA GLU A 54 -29.529 30.655 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -28.647 32.846 8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -30.397 32.855 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -28.893 32.040 11.214 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -28.828 33.733 10.764 1.00 0.00 H new ATOM 844 N GLY A 55 -27.976 29.033 9.273 1.00 0.00 N ATOM 845 CA GLY A 55 -26.757 28.364 9.829 1.00 0.00 C ATOM 846 C GLY A 55 -25.608 28.415 8.811 1.00 0.00 C ATOM 847 O GLY A 55 -25.734 27.936 7.682 1.00 0.00 O ATOM 0 H GLY A 55 -28.540 28.460 8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -26.454 28.855 10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.985 27.328 10.079 1.00 0.00 H new ATOM 943 N LYS A 62 -29.387 23.114 10.466 1.00 0.00 N ATOM 944 CA LYS A 62 -30.479 22.463 11.261 1.00 0.00 C ATOM 945 C LYS A 62 -30.487 23.007 12.698 1.00 0.00 C ATOM 946 O LYS A 62 -31.539 23.122 13.326 1.00 0.00 O ATOM 947 CB LYS A 62 -30.266 20.947 11.275 1.00 0.00 C ATOM 948 CG LYS A 62 -30.971 20.334 10.063 1.00 0.00 C ATOM 949 CD LYS A 62 -30.430 18.927 9.805 1.00 0.00 C ATOM 950 CE LYS A 62 -30.881 18.456 8.421 1.00 0.00 C ATOM 951 NZ LYS A 62 -30.737 16.971 8.336 1.00 0.00 N ATOM 0 HA LYS A 62 -31.440 22.688 10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -29.201 20.716 11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -30.661 20.520 12.197 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -32.046 20.294 10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -30.815 20.960 9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -29.342 18.927 9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -30.791 18.240 10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -31.918 18.743 8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -30.282 18.936 7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -31.042 16.646 7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -29.742 16.710 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -31.327 16.523 9.066 1.00 0.00 H new ATOM 965 N LYS A 63 -29.342 23.361 13.227 1.00 0.00 N ATOM 966 CA LYS A 63 -29.301 23.919 14.609 1.00 0.00 C ATOM 967 C LYS A 63 -29.955 25.300 14.608 1.00 0.00 C ATOM 968 O LYS A 63 -31.017 25.483 15.192 1.00 0.00 O ATOM 969 CB LYS A 63 -27.847 24.021 15.093 1.00 0.00 C ATOM 970 CG LYS A 63 -27.572 22.933 16.137 1.00 0.00 C ATOM 971 CD LYS A 63 -27.373 21.585 15.437 1.00 0.00 C ATOM 972 CE LYS A 63 -28.141 20.498 16.189 1.00 0.00 C ATOM 973 NZ LYS A 63 -29.601 20.659 15.930 1.00 0.00 N ATOM 0 H LYS A 63 -28.438 23.287 12.761 1.00 0.00 H new ATOM 0 HA LYS A 63 -29.844 23.260 15.286 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -27.165 23.911 14.250 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -27.665 25.006 15.523 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -26.685 23.187 16.716 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -28.404 22.870 16.839 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -27.722 21.644 14.406 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -26.312 21.336 15.400 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -27.809 19.512 15.865 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -27.940 20.567 17.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -30.094 19.771 16.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -29.977 21.424 16.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -29.752 20.894 14.928 1.00 0.00 H new ATOM 987 N ARG A 64 -29.360 26.267 13.951 1.00 0.00 N ATOM 988 CA ARG A 64 -29.967 27.635 13.915 1.00 0.00 C ATOM 989 C ARG A 64 -31.448 27.544 13.528 1.00 0.00 C ATOM 990 O ARG A 64 -32.291 28.260 14.072 1.00 0.00 O ATOM 991 CB ARG A 64 -29.217 28.512 12.905 1.00 0.00 C ATOM 992 CG ARG A 64 -29.086 29.939 13.467 1.00 0.00 C ATOM 993 CD ARG A 64 -28.284 29.916 14.775 1.00 0.00 C ATOM 994 NE ARG A 64 -29.228 30.010 15.935 1.00 0.00 N ATOM 995 CZ ARG A 64 -28.961 30.769 16.943 1.00 0.00 C ATOM 996 NH1 ARG A 64 -29.130 32.044 16.847 1.00 0.00 N ATOM 997 NH2 ARG A 64 -28.544 30.246 18.041 1.00 0.00 N ATOM 0 H ARG A 64 -28.483 26.168 13.440 1.00 0.00 H new ATOM 0 HA ARG A 64 -29.887 28.083 14.905 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -28.230 28.095 12.707 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -29.751 28.531 11.955 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -28.591 30.582 12.739 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -30.075 30.361 13.645 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -27.699 28.999 14.841 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -27.578 30.746 14.797 1.00 0.00 H new ATOM 0 HE ARG A 64 -30.092 29.467 15.927 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -29.474 32.449 15.976 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -28.920 32.648 17.642 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -28.426 29.235 18.112 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -28.331 30.842 18.841 1.00 0.00 H new ATOM 1011 N ALA A 65 -31.782 26.671 12.613 1.00 0.00 N ATOM 1012 CA ALA A 65 -33.209 26.522 12.207 1.00 0.00 C ATOM 1013 C ALA A 65 -34.036 26.006 13.404 1.00 0.00 C ATOM 1014 O ALA A 65 -35.084 26.562 13.740 1.00 0.00 O ATOM 1015 CB ALA A 65 -33.299 25.529 11.042 1.00 0.00 C ATOM 0 H ALA A 65 -31.127 26.056 12.130 1.00 0.00 H new ATOM 0 HA ALA A 65 -33.606 27.487 11.892 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -34.340 25.416 10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -32.716 25.902 10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -32.905 24.563 11.356 1.00 0.00 H new ATOM 1021 N ALA A 66 -33.584 24.957 14.052 1.00 0.00 N ATOM 1022 CA ALA A 66 -34.338 24.401 15.224 1.00 0.00 C ATOM 1023 C ALA A 66 -34.344 25.403 16.393 1.00 0.00 C ATOM 1024 O ALA A 66 -35.381 25.636 17.011 1.00 0.00 O ATOM 1025 CB ALA A 66 -33.680 23.092 15.673 1.00 0.00 C ATOM 0 H ALA A 66 -32.724 24.461 13.820 1.00 0.00 H new ATOM 0 HA ALA A 66 -35.369 24.215 14.923 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -34.225 22.684 16.525 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -33.700 22.375 14.853 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -32.647 23.285 15.962 1.00 0.00 H new ATOM 1031 N GLU A 67 -33.218 25.994 16.710 1.00 0.00 N ATOM 1032 CA GLU A 67 -33.170 26.980 17.845 1.00 0.00 C ATOM 1033 C GLU A 67 -34.257 28.036 17.649 1.00 0.00 C ATOM 1034 O GLU A 67 -35.086 28.262 18.522 1.00 0.00 O ATOM 1035 CB GLU A 67 -31.807 27.684 17.891 1.00 0.00 C ATOM 1036 CG GLU A 67 -30.677 26.674 17.656 1.00 0.00 C ATOM 1037 CD GLU A 67 -29.470 27.025 18.518 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -29.469 26.659 19.675 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -28.566 27.661 18.001 1.00 0.00 O ATOM 0 H GLU A 67 -32.329 25.839 16.235 1.00 0.00 H new ATOM 0 HA GLU A 67 -33.328 26.439 18.778 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -31.768 28.466 17.133 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -31.674 28.170 18.857 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -31.023 25.668 17.894 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -30.393 26.673 16.604 1.00 0.00 H new ATOM 1046 N LYS A 68 -34.264 28.680 16.511 1.00 0.00 N ATOM 1047 CA LYS A 68 -35.296 29.725 16.226 1.00 0.00 C ATOM 1048 C LYS A 68 -36.696 29.141 16.472 1.00 0.00 C ATOM 1049 O LYS A 68 -37.539 29.759 17.119 1.00 0.00 O ATOM 1050 CB LYS A 68 -35.169 30.171 14.763 1.00 0.00 C ATOM 1051 CG LYS A 68 -34.807 31.659 14.704 1.00 0.00 C ATOM 1052 CD LYS A 68 -33.870 31.920 13.515 1.00 0.00 C ATOM 1053 CE LYS A 68 -34.322 33.185 12.782 1.00 0.00 C ATOM 1054 NZ LYS A 68 -33.962 33.080 11.344 1.00 0.00 N ATOM 0 H LYS A 68 -33.593 28.526 15.759 1.00 0.00 H new ATOM 0 HA LYS A 68 -35.145 30.582 16.882 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -34.404 29.581 14.258 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -36.107 29.994 14.237 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -35.712 32.259 14.604 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -34.324 31.962 15.633 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -32.844 32.036 13.864 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -33.881 31.068 12.835 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -35.399 33.315 12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -33.849 34.062 13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -34.762 33.401 10.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -33.131 33.675 11.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -33.741 32.090 11.113 1.00 0.00 H new ATOM 1068 N MET A 69 -36.949 27.956 15.979 1.00 0.00 N ATOM 1069 CA MET A 69 -38.283 27.322 16.191 1.00 0.00 C ATOM 1070 C MET A 69 -38.515 27.110 17.697 1.00 0.00 C ATOM 1071 O MET A 69 -39.505 27.563 18.255 1.00 0.00 O ATOM 1072 CB MET A 69 -38.322 25.979 15.455 1.00 0.00 C ATOM 1073 CG MET A 69 -38.840 26.198 14.032 1.00 0.00 C ATOM 1074 SD MET A 69 -40.271 25.131 13.737 1.00 0.00 S ATOM 1075 CE MET A 69 -41.144 26.225 12.587 1.00 0.00 C ATOM 0 H MET A 69 -36.287 27.400 15.438 1.00 0.00 H new ATOM 0 HA MET A 69 -39.069 27.968 15.801 1.00 0.00 H new ATOM 0 HB2 MET A 69 -37.326 25.537 15.428 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.967 25.279 15.986 1.00 0.00 H new ATOM 0 HG2 MET A 69 -39.117 27.243 13.892 1.00 0.00 H new ATOM 0 HG3 MET A 69 -38.054 25.977 13.310 1.00 0.00 H new ATOM 0 HE1 MET A 69 -42.019 25.711 12.190 1.00 0.00 H new ATOM 0 HE2 MET A 69 -41.460 27.127 13.111 1.00 0.00 H new ATOM 0 HE3 MET A 69 -40.479 26.496 11.767 1.00 0.00 H new ATOM 1085 N LEU A 70 -37.616 26.440 18.362 1.00 0.00 N ATOM 1086 CA LEU A 70 -37.777 26.203 19.833 1.00 0.00 C ATOM 1087 C LEU A 70 -37.904 27.538 20.589 1.00 0.00 C ATOM 1088 O LEU A 70 -38.781 27.707 21.433 1.00 0.00 O ATOM 1089 CB LEU A 70 -36.551 25.438 20.341 1.00 0.00 C ATOM 1090 CG LEU A 70 -36.563 24.015 19.780 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -35.391 23.235 20.365 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -37.871 23.323 20.161 1.00 0.00 C ATOM 0 H LEU A 70 -36.771 26.042 17.952 1.00 0.00 H new ATOM 0 HA LEU A 70 -38.684 25.625 20.008 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -35.639 25.951 20.038 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -36.554 25.410 21.431 1.00 0.00 H new ATOM 0 HG LEU A 70 -36.477 24.052 18.694 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -35.395 22.220 19.968 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -34.456 23.726 20.095 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -35.483 23.200 21.451 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -37.877 22.309 19.760 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -37.959 23.284 21.247 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -38.711 23.881 19.748 1.00 0.00 H new ATOM 1104 N VAL A 71 -37.046 28.481 20.302 1.00 0.00 N ATOM 1105 CA VAL A 71 -37.094 29.811 20.996 1.00 0.00 C ATOM 1106 C VAL A 71 -38.515 30.401 20.931 1.00 0.00 C ATOM 1107 O VAL A 71 -39.023 30.940 21.917 1.00 0.00 O ATOM 1108 CB VAL A 71 -36.095 30.764 20.313 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -36.295 32.191 20.814 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -34.663 30.336 20.636 1.00 0.00 C ATOM 0 H VAL A 71 -36.304 28.389 19.609 1.00 0.00 H new ATOM 0 HA VAL A 71 -36.826 29.683 22.045 1.00 0.00 H new ATOM 0 HB VAL A 71 -36.267 30.724 19.237 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -35.582 32.853 20.322 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -37.310 32.518 20.586 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -36.137 32.224 21.892 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -33.962 31.014 20.150 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -34.509 30.367 21.715 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -34.496 29.321 20.274 1.00 0.00 H new ATOM 1120 N GLU A 72 -39.171 30.305 19.801 1.00 0.00 N ATOM 1121 CA GLU A 72 -40.556 30.860 19.689 1.00 0.00 C ATOM 1122 C GLU A 72 -41.576 29.808 20.158 1.00 0.00 C ATOM 1123 O GLU A 72 -42.451 30.092 20.974 1.00 0.00 O ATOM 1124 CB GLU A 72 -40.836 31.250 18.229 1.00 0.00 C ATOM 1125 CG GLU A 72 -40.121 32.574 17.885 1.00 0.00 C ATOM 1126 CD GLU A 72 -40.370 33.616 18.975 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -41.384 34.295 18.908 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -39.541 33.728 19.866 1.00 0.00 O ATOM 0 H GLU A 72 -38.809 29.868 18.954 1.00 0.00 H new ATOM 0 HA GLU A 72 -40.645 31.745 20.319 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -40.494 30.459 17.562 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -41.909 31.357 18.073 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -39.050 32.399 17.779 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -40.479 32.949 16.926 1.00 0.00 H new ATOM 1135 N LEU A 73 -41.478 28.601 19.661 1.00 0.00 N ATOM 1136 CA LEU A 73 -42.426 27.517 20.066 1.00 0.00 C ATOM 1137 C LEU A 73 -42.424 27.332 21.595 1.00 0.00 C ATOM 1138 O LEU A 73 -43.429 26.932 22.184 1.00 0.00 O ATOM 1139 CB LEU A 73 -41.996 26.216 19.382 1.00 0.00 C ATOM 1140 CG LEU A 73 -42.623 26.140 17.989 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -41.989 27.173 17.061 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -42.392 24.749 17.411 1.00 0.00 C ATOM 0 H LEU A 73 -40.772 28.316 18.982 1.00 0.00 H new ATOM 0 HA LEU A 73 -43.437 27.788 19.762 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -40.909 26.175 19.306 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -42.307 25.359 19.979 1.00 0.00 H new ATOM 0 HG LEU A 73 -43.691 26.344 18.073 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -42.447 27.105 16.074 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -42.147 28.172 17.467 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -40.919 26.980 16.979 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -42.837 24.689 16.418 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -41.321 24.557 17.341 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -42.852 24.004 18.060 1.00 0.00 H new ATOM 1154 N GLN A 74 -41.324 27.616 22.247 1.00 0.00 N ATOM 1155 CA GLN A 74 -41.272 27.470 23.738 1.00 0.00 C ATOM 1156 C GLN A 74 -41.775 28.763 24.406 1.00 0.00 C ATOM 1157 O GLN A 74 -42.087 28.780 25.595 1.00 0.00 O ATOM 1158 CB GLN A 74 -39.829 27.199 24.178 1.00 0.00 C ATOM 1159 CG GLN A 74 -39.589 25.687 24.256 1.00 0.00 C ATOM 1160 CD GLN A 74 -38.090 25.406 24.333 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -37.492 24.939 23.375 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -37.444 25.667 25.429 1.00 0.00 N ATOM 0 H GLN A 74 -40.460 27.942 21.814 1.00 0.00 H new ATOM 0 HA GLN A 74 -41.908 26.637 24.038 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -39.132 27.652 23.473 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -39.642 27.657 25.149 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -40.091 25.274 25.131 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -40.016 25.196 23.382 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -37.938 26.057 26.232 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -36.443 25.482 25.487 1.00 0.00 H new ATOM 1171 N LYS A 75 -41.854 29.841 23.666 1.00 0.00 N ATOM 1172 CA LYS A 75 -42.335 31.134 24.242 1.00 0.00 C ATOM 1173 C LYS A 75 -43.825 31.334 23.907 1.00 0.00 C ATOM 1174 O LYS A 75 -44.537 32.070 24.592 1.00 0.00 O ATOM 1175 CB LYS A 75 -41.513 32.274 23.632 1.00 0.00 C ATOM 1176 CG LYS A 75 -41.896 33.610 24.277 1.00 0.00 C ATOM 1177 CD LYS A 75 -41.200 34.745 23.523 1.00 0.00 C ATOM 1178 CE LYS A 75 -41.890 34.952 22.177 1.00 0.00 C ATOM 1179 NZ LYS A 75 -40.881 35.361 21.163 1.00 0.00 N ATOM 0 H LYS A 75 -41.603 29.880 22.678 1.00 0.00 H new ATOM 0 HA LYS A 75 -42.217 31.124 25.326 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -40.450 32.083 23.778 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -41.684 32.319 22.556 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -42.977 33.746 24.248 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -41.602 33.619 25.327 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -41.237 35.663 24.109 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -40.147 34.506 23.372 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -42.384 34.032 21.864 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -42.663 35.715 22.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -41.325 35.388 20.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -40.514 36.305 21.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -40.098 34.677 21.157 1.00 0.00 H new ATOM 1193 N LEU A 76 -44.294 30.715 22.854 1.00 0.00 N ATOM 1194 CA LEU A 76 -45.716 30.864 22.442 1.00 0.00 C ATOM 1195 C LEU A 76 -46.500 29.555 22.703 1.00 0.00 C ATOM 1196 O LEU A 76 -47.612 29.429 22.211 1.00 0.00 O ATOM 1197 CB LEU A 76 -45.716 31.199 20.950 1.00 0.00 C ATOM 1198 CG LEU A 76 -45.031 32.549 20.739 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -44.367 32.582 19.366 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -46.068 33.662 20.828 1.00 0.00 C ATOM 1201 OXT LEU A 76 -45.983 28.694 23.396 1.00 0.00 O ATOM 0 H LEU A 76 -43.740 30.103 22.255 1.00 0.00 H new ATOM 0 HA LEU A 76 -46.203 31.652 23.017 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -45.195 30.422 20.390 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -46.738 31.233 20.573 1.00 0.00 H new ATOM 0 HG LEU A 76 -44.273 32.693 21.509 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -43.880 33.546 19.220 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -43.624 31.787 19.302 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -45.122 32.436 18.593 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -45.581 34.626 20.678 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -46.827 33.515 20.059 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -46.539 33.643 21.811 1.00 0.00 H new