USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 554 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 22 CYS SG : rot 4:sc= -5.67! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -5.73! C(o=-11!,f=-20!) USER MOD Single : A 11 THR OG1 : rot 28:sc= 0.18 USER MOD Single : A 14 SER OG : rot 125:sc= 0.477 USER MOD Single : A 33 THR OG1 : rot 80:sc= -0.798 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -2.2 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.35) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-3.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 75:sc= 0.324 USER MOD Single : A 81 THR OG1 : rot 92:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.568 -12.498 -2.343 1.00 0.00 N ATOM 137 CA THR A 11 4.954 -12.779 -0.964 1.00 0.00 C ATOM 138 C THR A 11 4.869 -11.512 -0.126 1.00 0.00 C ATOM 139 O THR A 11 4.918 -10.403 -0.654 1.00 0.00 O ATOM 140 CB THR A 11 6.380 -13.326 -0.919 1.00 0.00 C ATOM 141 OG1 THR A 11 6.476 -14.461 -1.770 1.00 0.00 O ATOM 142 CG2 THR A 11 6.727 -13.731 0.513 1.00 0.00 C ATOM 0 HA THR A 11 4.270 -13.524 -0.557 1.00 0.00 H new ATOM 0 HB THR A 11 7.076 -12.558 -1.256 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.822 -14.382 -2.496 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.744 -14.121 0.544 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.652 -12.861 1.166 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.033 -14.500 0.852 1.00 0.00 H new ATOM 150 N LEU A 12 4.744 -11.685 1.182 1.00 0.00 N ATOM 151 CA LEU A 12 4.642 -10.548 2.086 1.00 0.00 C ATOM 152 C LEU A 12 5.722 -9.528 1.778 1.00 0.00 C ATOM 153 O LEU A 12 5.483 -8.320 1.828 1.00 0.00 O ATOM 154 CB LEU A 12 4.793 -11.021 3.534 1.00 0.00 C ATOM 155 CG LEU A 12 3.607 -11.937 3.928 1.00 0.00 C ATOM 156 CD1 LEU A 12 4.023 -13.414 3.847 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.156 -11.624 5.363 1.00 0.00 C ATOM 0 H LEU A 12 4.711 -12.596 1.639 1.00 0.00 H new ATOM 0 HA LEU A 12 3.665 -10.085 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.733 -11.561 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.834 -10.161 4.202 1.00 0.00 H new ATOM 0 HG LEU A 12 2.786 -11.753 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.180 -14.045 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.331 -13.650 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.854 -13.596 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.322 -12.272 5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.985 -11.795 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.841 -10.582 5.426 1.00 0.00 H new ATOM 169 N ASP A 13 6.910 -10.014 1.462 1.00 0.00 N ATOM 170 CA ASP A 13 8.014 -9.125 1.151 1.00 0.00 C ATOM 171 C ASP A 13 7.761 -8.403 -0.161 1.00 0.00 C ATOM 172 O ASP A 13 8.110 -7.238 -0.295 1.00 0.00 O ATOM 173 CB ASP A 13 9.321 -9.907 1.043 1.00 0.00 C ATOM 174 CG ASP A 13 9.373 -10.970 2.139 1.00 0.00 C ATOM 175 OD1 ASP A 13 9.275 -10.604 3.298 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.500 -12.137 1.800 1.00 0.00 O ATOM 0 H ASP A 13 7.133 -11.008 1.414 1.00 0.00 H new ATOM 0 HA ASP A 13 8.094 -8.397 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.396 -10.377 0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.170 -9.231 1.138 1.00 0.00 H new ATOM 181 N SER A 14 7.161 -9.099 -1.129 1.00 0.00 N ATOM 182 CA SER A 14 6.879 -8.497 -2.429 1.00 0.00 C ATOM 183 C SER A 14 5.818 -7.404 -2.288 1.00 0.00 C ATOM 184 O SER A 14 5.889 -6.349 -2.939 1.00 0.00 O ATOM 185 CB SER A 14 6.391 -9.567 -3.390 1.00 0.00 C ATOM 186 OG SER A 14 7.067 -10.792 -3.124 1.00 0.00 O ATOM 0 H SER A 14 6.864 -10.071 -1.037 1.00 0.00 H new ATOM 0 HA SER A 14 7.793 -8.049 -2.818 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.315 -9.703 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.572 -9.256 -4.419 1.00 0.00 H new ATOM 0 HG SER A 14 6.409 -11.500 -2.961 1.00 0.00 H new ATOM 192 N LEU A 15 4.819 -7.656 -1.457 1.00 0.00 N ATOM 193 CA LEU A 15 3.775 -6.674 -1.255 1.00 0.00 C ATOM 194 C LEU A 15 4.319 -5.532 -0.407 1.00 0.00 C ATOM 195 O LEU A 15 4.451 -4.403 -0.880 1.00 0.00 O ATOM 196 CB LEU A 15 2.584 -7.319 -0.548 1.00 0.00 C ATOM 197 CG LEU A 15 2.191 -8.603 -1.283 1.00 0.00 C ATOM 198 CD1 LEU A 15 1.080 -9.309 -0.507 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.702 -8.265 -2.696 1.00 0.00 C ATOM 0 H LEU A 15 4.712 -8.518 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 15 3.447 -6.289 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.840 -7.543 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.742 -6.627 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 15 3.058 -9.259 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.797 -10.224 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.435 -9.556 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.214 -8.652 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.424 -9.183 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.835 -7.607 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.499 -7.765 -3.247 1.00 0.00 H new ATOM 211 N ARG A 16 4.623 -5.830 0.848 1.00 0.00 N ATOM 212 CA ARG A 16 5.133 -4.808 1.760 1.00 0.00 C ATOM 213 C ARG A 16 6.033 -3.822 1.013 1.00 0.00 C ATOM 214 O ARG A 16 5.844 -2.601 1.100 1.00 0.00 O ATOM 215 CB ARG A 16 5.938 -5.476 2.876 1.00 0.00 C ATOM 216 CG ARG A 16 6.613 -4.407 3.767 1.00 0.00 C ATOM 217 CD ARG A 16 8.089 -4.237 3.373 1.00 0.00 C ATOM 218 NE ARG A 16 8.729 -3.288 4.268 1.00 0.00 N ATOM 219 CZ ARG A 16 9.006 -3.612 5.523 1.00 0.00 C ATOM 220 NH1 ARG A 16 8.683 -4.792 5.978 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.592 -2.748 6.301 1.00 0.00 N ATOM 0 H ARG A 16 4.528 -6.759 1.258 1.00 0.00 H new ATOM 0 HA ARG A 16 4.287 -4.265 2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.283 -6.102 3.481 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.695 -6.131 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.091 -3.456 3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.541 -4.699 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.601 -5.198 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.162 -3.887 2.343 1.00 0.00 H new ATOM 0 HE ARG A 16 8.969 -2.358 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.218 -5.464 5.368 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.896 -5.042 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.837 -1.824 5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.806 -2.995 7.267 1.00 0.00 H new ATOM 235 N VAL A 17 7.002 -4.356 0.268 1.00 0.00 N ATOM 236 CA VAL A 17 7.917 -3.513 -0.502 1.00 0.00 C ATOM 237 C VAL A 17 7.136 -2.695 -1.530 1.00 0.00 C ATOM 238 O VAL A 17 7.441 -1.529 -1.766 1.00 0.00 O ATOM 239 CB VAL A 17 8.949 -4.388 -1.220 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.757 -5.196 -0.183 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.214 -5.347 -2.143 1.00 0.00 C ATOM 0 H VAL A 17 7.173 -5.358 0.182 1.00 0.00 H new ATOM 0 HA VAL A 17 8.430 -2.834 0.180 1.00 0.00 H new ATOM 0 HB VAL A 17 9.631 -3.761 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.490 -5.817 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.271 -4.511 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.081 -5.831 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.936 -5.978 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.541 -5.973 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.637 -4.779 -2.873 1.00 0.00 H new ATOM 251 N TRP A 18 6.126 -3.308 -2.141 1.00 0.00 N ATOM 252 CA TRP A 18 5.320 -2.598 -3.129 1.00 0.00 C ATOM 253 C TRP A 18 4.675 -1.352 -2.507 1.00 0.00 C ATOM 254 O TRP A 18 4.749 -0.261 -3.058 1.00 0.00 O ATOM 255 CB TRP A 18 4.222 -3.547 -3.684 1.00 0.00 C ATOM 256 CG TRP A 18 2.853 -3.098 -3.235 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.138 -3.628 -2.204 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.038 -2.014 -3.765 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.958 -2.937 -2.079 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.848 -1.943 -3.010 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.206 -1.098 -4.817 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.127 -1.007 -3.271 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.214 -0.146 -5.084 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.047 -0.107 -4.309 1.00 0.00 C ATOM 0 H TRP A 18 5.850 -4.276 -1.974 1.00 0.00 H new ATOM 0 HA TRP A 18 5.967 -2.277 -3.945 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.266 -3.564 -4.773 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.407 -4.565 -3.341 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.449 -4.457 -1.585 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.248 -3.141 -1.375 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.101 -1.128 -5.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.023 -0.975 -2.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.349 0.560 -5.890 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.717 0.626 -4.522 1.00 0.00 H new ATOM 275 N LEU A 19 4.022 -1.543 -1.366 1.00 0.00 N ATOM 276 CA LEU A 19 3.340 -0.443 -0.695 1.00 0.00 C ATOM 277 C LEU A 19 4.300 0.709 -0.444 1.00 0.00 C ATOM 278 O LEU A 19 4.098 1.823 -0.933 1.00 0.00 O ATOM 279 CB LEU A 19 2.761 -0.945 0.641 1.00 0.00 C ATOM 280 CG LEU A 19 1.228 -1.127 0.553 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.797 -2.367 1.334 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.527 0.116 1.123 1.00 0.00 C ATOM 0 H LEU A 19 3.951 -2.442 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 19 2.533 -0.083 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.228 -1.893 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.001 -0.236 1.434 1.00 0.00 H new ATOM 0 HG LEU A 19 0.946 -1.255 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.284 -2.483 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.285 -3.248 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.083 -2.256 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.553 -0.015 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.816 0.251 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.820 0.995 0.549 1.00 0.00 H new ATOM 294 N VAL A 20 5.347 0.447 0.320 1.00 0.00 N ATOM 295 CA VAL A 20 6.304 1.492 0.627 1.00 0.00 C ATOM 296 C VAL A 20 6.922 2.043 -0.649 1.00 0.00 C ATOM 297 O VAL A 20 6.982 3.256 -0.846 1.00 0.00 O ATOM 298 CB VAL A 20 7.400 0.927 1.534 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.042 -0.294 0.869 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.464 1.997 1.770 1.00 0.00 C ATOM 0 H VAL A 20 5.553 -0.463 0.732 1.00 0.00 H new ATOM 0 HA VAL A 20 5.788 2.304 1.138 1.00 0.00 H new ATOM 0 HB VAL A 20 6.963 0.629 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.822 -0.694 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.283 -1.058 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.479 -0.001 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.246 1.597 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.899 2.295 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.008 2.864 2.247 1.00 0.00 H new ATOM 310 N ASP A 21 7.394 1.149 -1.508 1.00 0.00 N ATOM 311 CA ASP A 21 8.020 1.569 -2.750 1.00 0.00 C ATOM 312 C ASP A 21 7.052 2.399 -3.582 1.00 0.00 C ATOM 313 O ASP A 21 7.454 3.342 -4.266 1.00 0.00 O ATOM 314 CB ASP A 21 8.460 0.341 -3.548 1.00 0.00 C ATOM 315 CG ASP A 21 9.082 0.770 -4.873 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.358 1.948 -5.023 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.270 -0.089 -5.721 1.00 0.00 O ATOM 0 H ASP A 21 7.355 0.139 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 21 8.890 2.180 -2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.180 -0.238 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.604 -0.308 -3.733 1.00 0.00 H new ATOM 322 N CYS A 22 5.776 2.045 -3.516 1.00 0.00 N ATOM 323 CA CYS A 22 4.760 2.767 -4.267 1.00 0.00 C ATOM 324 C CYS A 22 4.709 4.222 -3.832 1.00 0.00 C ATOM 325 O CYS A 22 4.723 5.126 -4.664 1.00 0.00 O ATOM 326 CB CYS A 22 3.391 2.126 -4.051 1.00 0.00 C ATOM 327 SG CYS A 22 2.156 2.997 -5.039 1.00 0.00 S ATOM 0 H CYS A 22 5.422 1.270 -2.956 1.00 0.00 H new ATOM 0 HA CYS A 22 5.020 2.720 -5.325 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.422 1.074 -4.333 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.122 2.165 -2.996 1.00 0.00 H new ATOM 0 HG CYS A 22 2.741 3.902 -5.766 1.00 0.00 H new ATOM 333 N VAL A 23 4.643 4.447 -2.526 1.00 0.00 N ATOM 334 CA VAL A 23 4.586 5.812 -2.020 1.00 0.00 C ATOM 335 C VAL A 23 5.860 6.569 -2.403 1.00 0.00 C ATOM 336 O VAL A 23 5.793 7.690 -2.908 1.00 0.00 O ATOM 337 CB VAL A 23 4.452 5.797 -0.500 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.331 7.231 0.057 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.218 4.988 -0.089 1.00 0.00 C ATOM 0 H VAL A 23 4.628 3.719 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 23 3.722 6.311 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 23 5.348 5.334 -0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.237 7.193 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.221 7.801 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.450 7.713 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.131 4.983 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.326 5.440 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.318 3.964 -0.449 1.00 0.00 H new ATOM 349 N ALA A 24 7.018 5.954 -2.158 1.00 0.00 N ATOM 350 CA ALA A 24 8.288 6.593 -2.484 1.00 0.00 C ATOM 351 C ALA A 24 8.254 7.128 -3.906 1.00 0.00 C ATOM 352 O ALA A 24 8.592 8.279 -4.150 1.00 0.00 O ATOM 353 CB ALA A 24 9.426 5.582 -2.344 1.00 0.00 C ATOM 0 H ALA A 24 7.100 5.027 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 24 8.453 7.422 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.373 6.064 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.461 5.213 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.257 4.748 -3.025 1.00 0.00 H new ATOM 359 N GLY A 25 7.853 6.278 -4.841 1.00 0.00 N ATOM 360 CA GLY A 25 7.781 6.687 -6.239 1.00 0.00 C ATOM 361 C GLY A 25 6.776 7.822 -6.423 1.00 0.00 C ATOM 362 O GLY A 25 7.045 8.794 -7.132 1.00 0.00 O ATOM 0 H GLY A 25 7.576 5.313 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.765 7.009 -6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.492 5.836 -6.857 1.00 0.00 H new ATOM 366 N HIS A 26 5.616 7.692 -5.789 1.00 0.00 N ATOM 367 CA HIS A 26 4.578 8.710 -5.905 1.00 0.00 C ATOM 368 C HIS A 26 5.107 10.077 -5.491 1.00 0.00 C ATOM 369 O HIS A 26 4.991 11.044 -6.243 1.00 0.00 O ATOM 370 CB HIS A 26 3.385 8.343 -5.014 1.00 0.00 C ATOM 371 CG HIS A 26 2.587 7.245 -5.655 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.068 7.365 -6.933 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.203 6.006 -5.209 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.406 6.228 -7.210 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.458 5.367 -6.194 1.00 0.00 N ATOM 0 H HIS A 26 5.372 6.900 -5.195 1.00 0.00 H new ATOM 0 HA HIS A 26 4.264 8.755 -6.948 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.737 8.023 -4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.755 9.218 -4.857 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.443 5.591 -4.241 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.895 6.036 -8.142 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.040 4.438 -6.149 1.00 0.00 H new ATOM 384 N LEU A 27 5.686 10.167 -4.295 1.00 0.00 N ATOM 385 CA LEU A 27 6.213 11.445 -3.820 1.00 0.00 C ATOM 386 C LEU A 27 7.623 11.686 -4.350 1.00 0.00 C ATOM 387 O LEU A 27 8.004 12.816 -4.651 1.00 0.00 O ATOM 388 CB LEU A 27 6.232 11.437 -2.292 1.00 0.00 C ATOM 389 CG LEU A 27 4.842 11.060 -1.767 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.870 11.003 -0.236 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.812 12.104 -2.223 1.00 0.00 C ATOM 0 H LEU A 27 5.801 9.387 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 27 5.572 12.248 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.975 10.726 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.521 12.418 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 27 4.562 10.083 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.881 10.735 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.594 10.255 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.154 11.978 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.826 11.831 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.090 13.084 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.788 12.140 -3.312 1.00 0.00 H new ATOM 403 N GLY A 28 8.394 10.610 -4.461 1.00 0.00 N ATOM 404 CA GLY A 28 9.773 10.682 -4.951 1.00 0.00 C ATOM 405 C GLY A 28 10.774 10.674 -3.798 1.00 0.00 C ATOM 406 O GLY A 28 11.984 10.657 -4.019 1.00 0.00 O ATOM 0 H GLY A 28 8.087 9.668 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.970 9.838 -5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.904 11.588 -5.542 1.00 0.00 H new ATOM 410 N LEU A 29 10.268 10.692 -2.567 1.00 0.00 N ATOM 411 CA LEU A 29 11.130 10.693 -1.390 1.00 0.00 C ATOM 412 C LEU A 29 11.809 9.337 -1.236 1.00 0.00 C ATOM 413 O LEU A 29 11.645 8.453 -2.077 1.00 0.00 O ATOM 414 CB LEU A 29 10.315 11.007 -0.134 1.00 0.00 C ATOM 415 CG LEU A 29 9.462 12.256 -0.374 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.721 12.622 0.915 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.356 13.429 -0.805 1.00 0.00 C ATOM 0 H LEU A 29 9.269 10.706 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 29 11.891 11.462 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.676 10.161 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.981 11.167 0.714 1.00 0.00 H new ATOM 0 HG LEU A 29 8.741 12.050 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.113 13.511 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.078 11.794 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.444 12.822 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.741 14.313 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.085 13.638 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.878 13.169 -1.726 1.00 0.00 H new ATOM 429 N ASP A 30 12.576 9.181 -0.165 1.00 0.00 N ATOM 430 CA ASP A 30 13.279 7.927 0.087 1.00 0.00 C ATOM 431 C ASP A 30 12.349 6.913 0.747 1.00 0.00 C ATOM 432 O ASP A 30 11.663 7.226 1.719 1.00 0.00 O ATOM 433 CB ASP A 30 14.490 8.182 0.988 1.00 0.00 C ATOM 434 CG ASP A 30 15.652 8.727 0.167 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.430 9.063 -0.984 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.746 8.800 0.701 1.00 0.00 O ATOM 0 H ASP A 30 12.728 9.902 0.540 1.00 0.00 H new ATOM 0 HA ASP A 30 13.616 7.521 -0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.226 8.891 1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.787 7.256 1.481 1.00 0.00 H new ATOM 441 N ALA A 31 12.339 5.697 0.209 1.00 0.00 N ATOM 442 CA ALA A 31 11.489 4.638 0.745 1.00 0.00 C ATOM 443 C ALA A 31 11.825 4.341 2.201 1.00 0.00 C ATOM 444 O ALA A 31 10.931 4.093 3.014 1.00 0.00 O ATOM 445 CB ALA A 31 11.662 3.359 -0.086 1.00 0.00 C ATOM 0 H ALA A 31 12.906 5.421 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 31 10.455 4.980 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.025 2.573 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.381 3.556 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.703 3.038 -0.048 1.00 0.00 H new ATOM 451 N ALA A 32 13.111 4.383 2.534 1.00 0.00 N ATOM 452 CA ALA A 32 13.549 4.104 3.892 1.00 0.00 C ATOM 453 C ALA A 32 13.028 5.146 4.870 1.00 0.00 C ATOM 454 O ALA A 32 13.083 4.947 6.084 1.00 0.00 O ATOM 455 CB ALA A 32 15.075 4.077 3.941 1.00 0.00 C ATOM 0 H ALA A 32 13.864 4.607 1.883 1.00 0.00 H new ATOM 0 HA ALA A 32 13.148 3.134 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.403 3.868 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.447 3.300 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.466 5.044 3.625 1.00 0.00 H new ATOM 461 N THR A 33 12.525 6.255 4.345 1.00 0.00 N ATOM 462 CA THR A 33 12.000 7.320 5.193 1.00 0.00 C ATOM 463 C THR A 33 10.642 7.776 4.698 1.00 0.00 C ATOM 464 O THR A 33 10.328 8.965 4.716 1.00 0.00 O ATOM 465 CB THR A 33 12.979 8.498 5.213 1.00 0.00 C ATOM 466 OG1 THR A 33 13.499 8.694 3.910 1.00 0.00 O ATOM 467 CG2 THR A 33 14.130 8.193 6.179 1.00 0.00 C ATOM 0 H THR A 33 12.469 6.441 3.344 1.00 0.00 H new ATOM 0 HA THR A 33 11.883 6.935 6.206 1.00 0.00 H new ATOM 0 HB THR A 33 12.460 9.398 5.542 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.847 9.186 3.368 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.826 9.032 6.192 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.732 8.036 7.181 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.652 7.294 5.851 1.00 0.00 H new ATOM 475 N ILE A 34 9.825 6.829 4.250 1.00 0.00 N ATOM 476 CA ILE A 34 8.496 7.187 3.762 1.00 0.00 C ATOM 477 C ILE A 34 7.544 7.390 4.932 1.00 0.00 C ATOM 478 O ILE A 34 7.191 8.519 5.271 1.00 0.00 O ATOM 479 CB ILE A 34 7.975 6.078 2.820 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.420 6.393 1.389 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.447 5.972 2.846 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.639 7.578 0.795 1.00 0.00 C ATOM 0 H ILE A 34 10.049 5.835 4.214 1.00 0.00 H new ATOM 0 HA ILE A 34 8.555 8.122 3.205 1.00 0.00 H new ATOM 0 HB ILE A 34 8.386 5.128 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.486 6.620 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.277 5.513 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.126 5.180 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.115 5.741 3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.011 6.919 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.985 7.769 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.575 7.341 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.803 8.465 1.407 1.00 0.00 H new ATOM 494 N ALA A 35 7.109 6.288 5.521 1.00 0.00 N ATOM 495 CA ALA A 35 6.165 6.339 6.623 1.00 0.00 C ATOM 496 C ALA A 35 5.603 4.945 6.893 1.00 0.00 C ATOM 497 O ALA A 35 4.533 4.808 7.481 1.00 0.00 O ATOM 498 CB ALA A 35 5.009 7.301 6.285 1.00 0.00 C ATOM 0 H ALA A 35 7.396 5.346 5.253 1.00 0.00 H new ATOM 0 HA ALA A 35 6.684 6.698 7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.306 7.332 7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.407 8.300 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.495 6.952 5.390 1.00 0.00 H new ATOM 504 N THR A 36 6.303 3.904 6.443 1.00 0.00 N ATOM 505 CA THR A 36 5.826 2.533 6.640 1.00 0.00 C ATOM 506 C THR A 36 5.162 2.378 8.002 1.00 0.00 C ATOM 507 O THR A 36 4.170 1.664 8.140 1.00 0.00 O ATOM 508 CB THR A 36 7.013 1.572 6.559 1.00 0.00 C ATOM 509 OG1 THR A 36 7.786 1.689 7.748 1.00 0.00 O ATOM 510 CG2 THR A 36 7.887 1.930 5.356 1.00 0.00 C ATOM 0 H THR A 36 7.191 3.980 5.946 1.00 0.00 H new ATOM 0 HA THR A 36 5.095 2.307 5.864 1.00 0.00 H new ATOM 0 HB THR A 36 6.647 0.551 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.548 1.075 7.704 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.731 1.243 5.302 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.298 1.853 4.442 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.256 2.950 5.465 1.00 0.00 H new ATOM 518 N ASP A 37 5.705 3.052 9.011 1.00 0.00 N ATOM 519 CA ASP A 37 5.146 2.982 10.354 1.00 0.00 C ATOM 520 C ASP A 37 4.181 4.137 10.594 1.00 0.00 C ATOM 521 O ASP A 37 3.351 4.090 11.500 1.00 0.00 O ATOM 522 CB ASP A 37 6.276 3.046 11.383 1.00 0.00 C ATOM 523 CG ASP A 37 5.724 2.776 12.775 1.00 0.00 C ATOM 524 OD1 ASP A 37 5.244 1.677 12.996 1.00 0.00 O ATOM 525 OD2 ASP A 37 5.783 3.672 13.602 1.00 0.00 O ATOM 0 H ASP A 37 6.527 3.649 8.924 1.00 0.00 H new ATOM 0 HA ASP A 37 4.603 2.042 10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.044 2.313 11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.751 4.027 11.354 1.00 0.00 H new ATOM 530 N LEU A 38 4.298 5.182 9.776 1.00 0.00 N ATOM 531 CA LEU A 38 3.434 6.354 9.913 1.00 0.00 C ATOM 532 C LEU A 38 2.299 6.319 8.891 1.00 0.00 C ATOM 533 O LEU A 38 2.423 5.719 7.821 1.00 0.00 O ATOM 534 CB LEU A 38 4.263 7.639 9.723 1.00 0.00 C ATOM 535 CG LEU A 38 4.991 8.023 11.031 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.425 7.512 10.974 1.00 0.00 C ATOM 537 CD2 LEU A 38 5.003 9.548 11.189 1.00 0.00 C ATOM 0 H LEU A 38 4.977 5.242 9.017 1.00 0.00 H new ATOM 0 HA LEU A 38 2.999 6.343 10.912 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.992 7.492 8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.611 8.455 9.412 1.00 0.00 H new ATOM 0 HG LEU A 38 4.472 7.577 11.879 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.944 7.780 11.894 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.421 6.428 10.863 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.938 7.962 10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.517 9.814 12.113 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.522 9.997 10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.978 9.918 11.225 1.00 0.00 H new ATOM 549 N PRO A 39 1.201 6.958 9.200 1.00 0.00 N ATOM 550 CA PRO A 39 0.029 7.017 8.288 1.00 0.00 C ATOM 551 C PRO A 39 0.353 7.767 6.996 1.00 0.00 C ATOM 552 O PRO A 39 1.444 8.313 6.836 1.00 0.00 O ATOM 553 CB PRO A 39 -1.040 7.757 9.113 1.00 0.00 C ATOM 554 CG PRO A 39 -0.280 8.527 10.144 1.00 0.00 C ATOM 555 CD PRO A 39 0.949 7.687 10.458 1.00 0.00 C ATOM 0 HA PRO A 39 -0.296 6.028 7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.632 8.421 8.484 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.733 7.056 9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.003 9.511 9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.884 8.688 11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.799 8.309 10.738 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.767 7.004 11.288 1.00 0.00 H new ATOM 563 N LEU A 40 -0.609 7.787 6.086 1.00 0.00 N ATOM 564 CA LEU A 40 -0.436 8.478 4.818 1.00 0.00 C ATOM 565 C LEU A 40 -0.514 9.986 5.009 1.00 0.00 C ATOM 566 O LEU A 40 0.022 10.756 4.216 1.00 0.00 O ATOM 567 CB LEU A 40 -1.510 8.021 3.815 1.00 0.00 C ATOM 568 CG LEU A 40 -2.886 8.602 4.191 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.903 8.271 3.101 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.342 8.012 5.528 1.00 0.00 C ATOM 0 H LEU A 40 -1.515 7.334 6.202 1.00 0.00 H new ATOM 0 HA LEU A 40 0.550 8.230 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.236 8.342 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.561 6.932 3.800 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.808 9.685 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.874 8.684 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.576 8.703 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.985 7.189 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.316 8.423 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.417 6.928 5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.618 8.264 6.303 1.00 0.00 H new ATOM 582 N THR A 41 -1.208 10.399 6.063 1.00 0.00 N ATOM 583 CA THR A 41 -1.384 11.816 6.345 1.00 0.00 C ATOM 584 C THR A 41 -0.041 12.523 6.363 1.00 0.00 C ATOM 585 O THR A 41 0.067 13.673 5.946 1.00 0.00 O ATOM 586 CB THR A 41 -2.084 12.010 7.693 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.127 11.059 7.821 1.00 0.00 O ATOM 588 CG2 THR A 41 -2.671 13.422 7.768 1.00 0.00 C ATOM 0 H THR A 41 -1.656 9.774 6.733 1.00 0.00 H new ATOM 0 HA THR A 41 -2.003 12.246 5.557 1.00 0.00 H new ATOM 0 HB THR A 41 -1.363 11.874 8.499 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.576 11.180 8.684 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.169 13.559 8.728 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.870 14.155 7.667 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.392 13.559 6.962 1.00 0.00 H new ATOM 596 N SER A 42 0.979 11.832 6.858 1.00 0.00 N ATOM 597 CA SER A 42 2.313 12.415 6.940 1.00 0.00 C ATOM 598 C SER A 42 2.679 13.129 5.642 1.00 0.00 C ATOM 599 O SER A 42 3.369 14.149 5.662 1.00 0.00 O ATOM 600 CB SER A 42 3.343 11.312 7.218 1.00 0.00 C ATOM 601 OG SER A 42 4.636 11.772 6.851 1.00 0.00 O ATOM 0 H SER A 42 0.910 10.876 7.206 1.00 0.00 H new ATOM 0 HA SER A 42 2.317 13.143 7.752 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.327 11.042 8.274 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.091 10.413 6.655 1.00 0.00 H new ATOM 0 HG SER A 42 5.296 11.070 7.029 1.00 0.00 H new ATOM 607 N TYR A 43 2.219 12.592 4.521 1.00 0.00 N ATOM 608 CA TYR A 43 2.513 13.191 3.222 1.00 0.00 C ATOM 609 C TYR A 43 1.796 14.526 3.067 1.00 0.00 C ATOM 610 O TYR A 43 2.024 15.257 2.102 1.00 0.00 O ATOM 611 CB TYR A 43 2.078 12.233 2.109 1.00 0.00 C ATOM 612 CG TYR A 43 2.535 10.825 2.424 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.820 10.590 2.934 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.669 9.746 2.199 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.231 9.286 3.217 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.089 8.444 2.480 1.00 0.00 C ATOM 617 CZ TYR A 43 3.363 8.214 2.989 1.00 0.00 C ATOM 618 OH TYR A 43 3.761 6.926 3.252 1.00 0.00 O ATOM 0 H TYR A 43 1.645 11.750 4.481 1.00 0.00 H new ATOM 0 HA TYR A 43 3.586 13.370 3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.993 12.256 2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.499 12.555 1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.492 11.418 3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.677 9.921 1.809 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.220 9.105 3.612 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.423 7.613 2.302 1.00 0.00 H new ATOM 0 HH TYR A 43 3.032 6.308 3.036 1.00 0.00 H new ATOM 628 N GLY A 44 0.946 14.849 4.028 1.00 0.00 N ATOM 629 CA GLY A 44 0.224 16.112 3.995 1.00 0.00 C ATOM 630 C GLY A 44 -0.691 16.180 2.785 1.00 0.00 C ATOM 631 O GLY A 44 -1.040 17.263 2.315 1.00 0.00 O ATOM 0 H GLY A 44 0.739 14.260 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.363 16.224 4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.932 16.940 3.968 1.00 0.00 H new ATOM 635 N LEU A 45 -1.073 15.017 2.280 1.00 0.00 N ATOM 636 CA LEU A 45 -1.945 14.950 1.117 1.00 0.00 C ATOM 637 C LEU A 45 -3.391 15.315 1.467 1.00 0.00 C ATOM 638 O LEU A 45 -3.925 14.899 2.495 1.00 0.00 O ATOM 639 CB LEU A 45 -1.897 13.537 0.518 1.00 0.00 C ATOM 640 CG LEU A 45 -2.723 12.551 1.374 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.630 11.140 0.778 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.177 12.530 2.806 1.00 0.00 C ATOM 0 H LEU A 45 -0.795 14.110 2.655 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.587 15.677 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.285 13.555 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.863 13.197 0.459 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.764 12.874 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.214 10.449 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.021 11.148 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.588 10.819 0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.761 11.834 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.134 12.212 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.247 13.529 3.237 1.00 0.00 H new ATOM 654 N ASP A 46 -4.027 16.086 0.605 1.00 0.00 N ATOM 655 CA ASP A 46 -5.410 16.475 0.844 1.00 0.00 C ATOM 656 C ASP A 46 -6.334 15.266 0.698 1.00 0.00 C ATOM 657 O ASP A 46 -5.895 14.177 0.326 1.00 0.00 O ATOM 658 CB ASP A 46 -5.823 17.556 -0.147 1.00 0.00 C ATOM 659 CG ASP A 46 -5.146 18.873 0.215 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.554 18.940 1.281 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.227 19.794 -0.580 1.00 0.00 O ATOM 0 H ASP A 46 -3.619 16.452 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.493 16.864 1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.546 17.260 -1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.906 17.678 -0.136 1.00 0.00 H new ATOM 666 N SER A 47 -7.614 15.467 0.993 1.00 0.00 N ATOM 667 CA SER A 47 -8.596 14.391 0.888 1.00 0.00 C ATOM 668 C SER A 47 -8.790 13.975 -0.567 1.00 0.00 C ATOM 669 O SER A 47 -9.015 12.800 -0.862 1.00 0.00 O ATOM 670 CB SER A 47 -9.932 14.844 1.474 1.00 0.00 C ATOM 671 OG SER A 47 -9.723 15.356 2.784 1.00 0.00 O ATOM 0 H SER A 47 -7.995 16.360 1.305 1.00 0.00 H new ATOM 0 HA SER A 47 -8.225 13.534 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.379 15.609 0.840 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.630 14.008 1.505 1.00 0.00 H new ATOM 0 HG SER A 47 -10.579 15.649 3.161 1.00 0.00 H new ATOM 677 N VAL A 48 -8.706 14.944 -1.470 1.00 0.00 N ATOM 678 CA VAL A 48 -8.880 14.667 -2.890 1.00 0.00 C ATOM 679 C VAL A 48 -7.749 13.788 -3.408 1.00 0.00 C ATOM 680 O VAL A 48 -7.911 13.063 -4.388 1.00 0.00 O ATOM 681 CB VAL A 48 -8.912 15.979 -3.677 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.070 15.678 -5.169 1.00 0.00 C ATOM 683 CG2 VAL A 48 -10.092 16.828 -3.199 1.00 0.00 C ATOM 0 H VAL A 48 -8.520 15.922 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.824 14.139 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.982 16.523 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.093 16.613 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.230 15.072 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.000 15.134 -5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.117 17.763 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.022 16.283 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.979 17.043 -2.137 1.00 0.00 H new ATOM 693 N TYR A 49 -6.600 13.863 -2.749 1.00 0.00 N ATOM 694 CA TYR A 49 -5.447 13.074 -3.164 1.00 0.00 C ATOM 695 C TYR A 49 -5.765 11.581 -3.085 1.00 0.00 C ATOM 696 O TYR A 49 -5.545 10.834 -4.039 1.00 0.00 O ATOM 697 CB TYR A 49 -4.240 13.405 -2.259 1.00 0.00 C ATOM 698 CG TYR A 49 -3.035 13.778 -3.098 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.127 14.842 -3.998 1.00 0.00 C ATOM 700 CD2 TYR A 49 -1.840 13.058 -2.980 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.025 15.188 -4.784 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.738 13.405 -3.763 1.00 0.00 C ATOM 703 CZ TYR A 49 -0.829 14.470 -4.666 1.00 0.00 C ATOM 704 OH TYR A 49 0.256 14.810 -5.446 1.00 0.00 O ATOM 0 H TYR A 49 -6.442 14.455 -1.934 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.203 13.322 -4.197 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.494 14.228 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.002 12.546 -1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.049 15.397 -4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.771 12.235 -2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.096 16.009 -5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.185 12.852 -3.672 1.00 0.00 H new ATOM 0 HH TYR A 49 1.006 14.214 -5.240 1.00 0.00 H new ATOM 714 N ALA A 50 -6.278 11.156 -1.940 1.00 0.00 N ATOM 715 CA ALA A 50 -6.602 9.757 -1.745 1.00 0.00 C ATOM 716 C ALA A 50 -7.456 9.257 -2.892 1.00 0.00 C ATOM 717 O ALA A 50 -7.241 8.167 -3.414 1.00 0.00 O ATOM 718 CB ALA A 50 -7.357 9.571 -0.426 1.00 0.00 C ATOM 0 H ALA A 50 -6.476 11.757 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.675 9.185 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.596 8.516 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.734 9.912 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.279 10.152 -0.450 1.00 0.00 H new ATOM 724 N LEU A 51 -8.437 10.052 -3.277 1.00 0.00 N ATOM 725 CA LEU A 51 -9.329 9.646 -4.354 1.00 0.00 C ATOM 726 C LEU A 51 -8.541 9.072 -5.532 1.00 0.00 C ATOM 727 O LEU A 51 -8.618 7.875 -5.820 1.00 0.00 O ATOM 728 CB LEU A 51 -10.147 10.856 -4.834 1.00 0.00 C ATOM 729 CG LEU A 51 -11.425 10.404 -5.559 1.00 0.00 C ATOM 730 CD1 LEU A 51 -11.058 9.528 -6.765 1.00 0.00 C ATOM 731 CD2 LEU A 51 -12.343 9.637 -4.584 1.00 0.00 C ATOM 0 H LEU A 51 -8.637 10.966 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.996 8.874 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.410 11.483 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.541 11.467 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.964 11.280 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.968 9.211 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.436 10.100 -7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.509 8.651 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.246 9.321 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.818 8.761 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.614 10.287 -3.752 1.00 0.00 H new ATOM 743 N SER A 52 -7.790 9.925 -6.207 1.00 0.00 N ATOM 744 CA SER A 52 -7.026 9.487 -7.359 1.00 0.00 C ATOM 745 C SER A 52 -5.908 8.551 -6.948 1.00 0.00 C ATOM 746 O SER A 52 -5.713 7.501 -7.553 1.00 0.00 O ATOM 747 CB SER A 52 -6.453 10.703 -8.070 1.00 0.00 C ATOM 748 OG SER A 52 -6.040 10.334 -9.381 1.00 0.00 O ATOM 0 H SER A 52 -7.694 10.915 -5.980 1.00 0.00 H new ATOM 0 HA SER A 52 -7.688 8.942 -8.032 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.201 11.494 -8.122 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.607 11.101 -7.509 1.00 0.00 H new ATOM 0 HG SER A 52 -5.672 11.117 -9.841 1.00 0.00 H new ATOM 754 N ILE A 53 -5.181 8.937 -5.914 1.00 0.00 N ATOM 755 CA ILE A 53 -4.076 8.119 -5.439 1.00 0.00 C ATOM 756 C ILE A 53 -4.565 6.741 -5.021 1.00 0.00 C ATOM 757 O ILE A 53 -4.185 5.733 -5.614 1.00 0.00 O ATOM 758 CB ILE A 53 -3.400 8.812 -4.253 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.930 10.222 -4.665 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.205 7.974 -3.771 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.538 10.158 -5.312 1.00 0.00 C ATOM 0 H ILE A 53 -5.332 9.800 -5.392 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.358 7.997 -6.250 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.117 8.906 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.643 10.659 -5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.901 10.872 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.728 8.472 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.553 6.989 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.485 7.866 -4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.222 11.162 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.825 9.741 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.578 9.525 -6.199 1.00 0.00 H new ATOM 773 N ALA A 54 -5.418 6.704 -4.009 1.00 0.00 N ATOM 774 CA ALA A 54 -5.944 5.438 -3.525 1.00 0.00 C ATOM 775 C ALA A 54 -6.463 4.597 -4.683 1.00 0.00 C ATOM 776 O ALA A 54 -6.328 3.375 -4.673 1.00 0.00 O ATOM 777 CB ALA A 54 -7.076 5.691 -2.528 1.00 0.00 C ATOM 0 H ALA A 54 -5.758 7.527 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.138 4.896 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.465 4.738 -2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.696 6.268 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.875 6.248 -3.018 1.00 0.00 H new ATOM 783 N ALA A 55 -7.033 5.263 -5.684 1.00 0.00 N ATOM 784 CA ALA A 55 -7.557 4.561 -6.852 1.00 0.00 C ATOM 785 C ALA A 55 -6.421 3.943 -7.669 1.00 0.00 C ATOM 786 O ALA A 55 -6.499 2.795 -8.088 1.00 0.00 O ATOM 787 CB ALA A 55 -8.353 5.525 -7.727 1.00 0.00 C ATOM 0 H ALA A 55 -7.143 6.277 -5.711 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.211 3.761 -6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.740 4.993 -8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.184 5.936 -7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.704 6.336 -8.058 1.00 0.00 H new ATOM 793 N GLU A 56 -5.371 4.717 -7.897 1.00 0.00 N ATOM 794 CA GLU A 56 -4.236 4.225 -8.670 1.00 0.00 C ATOM 795 C GLU A 56 -3.558 3.058 -7.954 1.00 0.00 C ATOM 796 O GLU A 56 -3.231 2.039 -8.569 1.00 0.00 O ATOM 797 CB GLU A 56 -3.226 5.354 -8.880 1.00 0.00 C ATOM 798 CG GLU A 56 -3.800 6.388 -9.852 1.00 0.00 C ATOM 799 CD GLU A 56 -3.918 5.788 -11.249 1.00 0.00 C ATOM 800 OE1 GLU A 56 -3.224 4.821 -11.516 1.00 0.00 O ATOM 801 OE2 GLU A 56 -4.700 6.305 -12.029 1.00 0.00 O ATOM 0 H GLU A 56 -5.279 5.677 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.602 3.876 -9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.993 5.828 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.292 4.951 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.779 6.719 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.158 7.268 -9.879 1.00 0.00 H new ATOM 808 N LEU A 57 -3.342 3.216 -6.653 1.00 0.00 N ATOM 809 CA LEU A 57 -2.688 2.176 -5.865 1.00 0.00 C ATOM 810 C LEU A 57 -3.468 0.868 -5.953 1.00 0.00 C ATOM 811 O LEU A 57 -2.941 -0.130 -6.408 1.00 0.00 O ATOM 812 CB LEU A 57 -2.594 2.621 -4.395 1.00 0.00 C ATOM 813 CG LEU A 57 -1.309 3.424 -4.161 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.375 4.745 -4.919 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.156 3.702 -2.665 1.00 0.00 C ATOM 0 H LEU A 57 -3.607 4.047 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.686 2.015 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.462 3.228 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.609 1.748 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.455 2.850 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.458 5.309 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.485 4.548 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.229 5.324 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.244 4.273 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.014 4.274 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.101 2.758 -2.123 1.00 0.00 H new ATOM 827 N GLU A 58 -4.715 0.894 -5.515 1.00 0.00 N ATOM 828 CA GLU A 58 -5.531 -0.315 -5.545 1.00 0.00 C ATOM 829 C GLU A 58 -5.751 -0.801 -6.977 1.00 0.00 C ATOM 830 O GLU A 58 -5.794 -2.004 -7.235 1.00 0.00 O ATOM 831 CB GLU A 58 -6.875 -0.043 -4.890 1.00 0.00 C ATOM 832 CG GLU A 58 -7.579 1.135 -5.598 1.00 0.00 C ATOM 833 CD GLU A 58 -8.654 0.632 -6.562 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.291 0.016 -7.550 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.819 0.883 -6.302 1.00 0.00 O ATOM 0 H GLU A 58 -5.181 1.720 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.001 -1.094 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.500 -0.934 -4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.734 0.188 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.031 1.793 -4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.844 1.727 -6.144 1.00 0.00 H new ATOM 842 N ASP A 59 -5.888 0.144 -7.903 1.00 0.00 N ATOM 843 CA ASP A 59 -6.108 -0.196 -9.309 1.00 0.00 C ATOM 844 C ASP A 59 -4.914 -0.962 -9.869 1.00 0.00 C ATOM 845 O ASP A 59 -5.052 -1.741 -10.811 1.00 0.00 O ATOM 846 CB ASP A 59 -6.328 1.079 -10.129 1.00 0.00 C ATOM 847 CG ASP A 59 -6.378 0.749 -11.615 1.00 0.00 C ATOM 848 OD1 ASP A 59 -7.269 0.018 -12.011 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.520 1.230 -12.338 1.00 0.00 O ATOM 0 H ASP A 59 -5.851 1.145 -7.709 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.994 -0.827 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.258 1.559 -9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.524 1.788 -9.934 1.00 0.00 H new ATOM 854 N HIS A 60 -3.747 -0.737 -9.285 1.00 0.00 N ATOM 855 CA HIS A 60 -2.540 -1.419 -9.741 1.00 0.00 C ATOM 856 C HIS A 60 -2.604 -2.915 -9.414 1.00 0.00 C ATOM 857 O HIS A 60 -2.153 -3.752 -10.199 1.00 0.00 O ATOM 858 CB HIS A 60 -1.289 -0.774 -9.101 1.00 0.00 C ATOM 859 CG HIS A 60 -0.724 0.268 -10.006 1.00 0.00 C ATOM 860 ND1 HIS A 60 -0.298 -0.030 -11.283 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.515 1.608 -9.833 1.00 0.00 C ATOM 862 CE1 HIS A 60 0.149 1.111 -11.833 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.040 2.142 -10.989 1.00 0.00 N ATOM 0 H HIS A 60 -3.608 -0.096 -8.504 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.471 -1.313 -10.824 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.552 -0.328 -8.142 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.538 -1.539 -8.902 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.746 2.165 -8.937 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.547 1.186 -12.834 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.307 3.112 -11.158 1.00 0.00 H new ATOM 872 N LEU A 61 -3.155 -3.245 -8.250 1.00 0.00 N ATOM 873 CA LEU A 61 -3.263 -4.639 -7.824 1.00 0.00 C ATOM 874 C LEU A 61 -4.650 -5.178 -8.131 1.00 0.00 C ATOM 875 O LEU A 61 -5.099 -6.143 -7.519 1.00 0.00 O ATOM 876 CB LEU A 61 -2.970 -4.768 -6.320 1.00 0.00 C ATOM 877 CG LEU A 61 -1.684 -4.011 -5.962 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.569 -4.385 -6.941 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.941 -2.497 -6.009 1.00 0.00 C ATOM 0 H LEU A 61 -3.533 -2.570 -7.586 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.526 -5.224 -8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.806 -4.371 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.868 -5.819 -6.051 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.375 -4.287 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.341 -3.844 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.381 -5.457 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.871 -4.121 -7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.025 -1.964 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.259 -2.213 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.722 -2.238 -5.294 1.00 0.00 H new ATOM 891 N ASP A 62 -5.324 -4.553 -9.092 1.00 0.00 N ATOM 892 CA ASP A 62 -6.656 -4.993 -9.482 1.00 0.00 C ATOM 893 C ASP A 62 -7.522 -5.259 -8.260 1.00 0.00 C ATOM 894 O ASP A 62 -7.972 -6.382 -8.041 1.00 0.00 O ATOM 895 CB ASP A 62 -6.553 -6.266 -10.307 1.00 0.00 C ATOM 896 CG ASP A 62 -6.021 -5.944 -11.703 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.893 -4.769 -12.013 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.753 -6.875 -12.446 1.00 0.00 O ATOM 0 H ASP A 62 -4.972 -3.748 -9.610 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.117 -4.201 -10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.892 -6.977 -9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.532 -6.740 -10.382 1.00 0.00 H new ATOM 903 N VAL A 63 -7.747 -4.222 -7.470 1.00 0.00 N ATOM 904 CA VAL A 63 -8.556 -4.347 -6.262 1.00 0.00 C ATOM 905 C VAL A 63 -9.254 -3.032 -5.952 1.00 0.00 C ATOM 906 O VAL A 63 -8.835 -1.973 -6.415 1.00 0.00 O ATOM 907 CB VAL A 63 -7.661 -4.749 -5.079 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.362 -6.239 -5.138 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.339 -3.988 -5.155 1.00 0.00 C ATOM 0 H VAL A 63 -7.383 -3.285 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.312 -5.115 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.180 -4.511 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.727 -6.516 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.295 -6.800 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.849 -6.470 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.706 -4.274 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.833 -4.230 -6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.533 -2.916 -5.114 1.00 0.00 H new ATOM 919 N SER A 64 -10.328 -3.109 -5.169 1.00 0.00 N ATOM 920 CA SER A 64 -11.085 -1.922 -4.784 1.00 0.00 C ATOM 921 C SER A 64 -11.094 -1.795 -3.266 1.00 0.00 C ATOM 922 O SER A 64 -11.147 -2.795 -2.546 1.00 0.00 O ATOM 923 CB SER A 64 -12.517 -2.013 -5.297 1.00 0.00 C ATOM 924 OG SER A 64 -13.180 -0.779 -5.052 1.00 0.00 O ATOM 0 H SER A 64 -10.693 -3.982 -4.789 1.00 0.00 H new ATOM 0 HA SER A 64 -10.611 -1.045 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.520 -2.236 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.043 -2.828 -4.799 1.00 0.00 H new ATOM 0 HG SER A 64 -14.101 -0.832 -5.382 1.00 0.00 H new ATOM 930 N LEU A 65 -11.018 -0.558 -2.785 1.00 0.00 N ATOM 931 CA LEU A 65 -10.986 -0.279 -1.347 1.00 0.00 C ATOM 932 C LEU A 65 -12.192 0.561 -0.952 1.00 0.00 C ATOM 933 O LEU A 65 -12.878 1.121 -1.806 1.00 0.00 O ATOM 934 CB LEU A 65 -9.675 0.468 -0.970 1.00 0.00 C ATOM 935 CG LEU A 65 -8.962 0.941 -2.241 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.833 1.986 -2.983 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.606 1.546 -1.852 1.00 0.00 C ATOM 0 H LEU A 65 -10.977 0.275 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.018 -1.226 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.903 1.321 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.021 -0.192 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.802 0.097 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.317 2.315 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.788 1.536 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.008 2.842 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.089 1.886 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.763 2.391 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.002 0.791 -1.349 1.00 0.00 H new ATOM 949 N ASP A 66 -12.446 0.642 0.348 1.00 0.00 N ATOM 950 CA ASP A 66 -13.573 1.417 0.859 1.00 0.00 C ATOM 951 C ASP A 66 -13.099 2.788 1.354 1.00 0.00 C ATOM 952 O ASP A 66 -11.932 2.967 1.690 1.00 0.00 O ATOM 953 CB ASP A 66 -14.256 0.631 1.990 1.00 0.00 C ATOM 954 CG ASP A 66 -15.502 -0.091 1.472 1.00 0.00 C ATOM 955 OD1 ASP A 66 -16.269 0.530 0.752 1.00 0.00 O ATOM 956 OD2 ASP A 66 -15.665 -1.254 1.801 1.00 0.00 O ATOM 0 H ASP A 66 -11.889 0.182 1.068 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.293 1.584 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.558 -0.094 2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.532 1.310 2.796 1.00 0.00 H new ATOM 961 N PRO A 67 -13.988 3.745 1.399 1.00 0.00 N ATOM 962 CA PRO A 67 -13.662 5.129 1.855 1.00 0.00 C ATOM 963 C PRO A 67 -13.191 5.165 3.310 1.00 0.00 C ATOM 964 O PRO A 67 -12.027 5.444 3.590 1.00 0.00 O ATOM 965 CB PRO A 67 -14.991 5.889 1.678 1.00 0.00 C ATOM 966 CG PRO A 67 -16.051 4.836 1.650 1.00 0.00 C ATOM 967 CD PRO A 67 -15.403 3.613 1.020 1.00 0.00 C ATOM 0 HA PRO A 67 -12.839 5.566 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.155 6.589 2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.991 6.471 0.756 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.409 4.615 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.913 5.164 1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.836 2.688 1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.530 3.603 -0.063 1.00 0.00 H new ATOM 975 N THR A 68 -14.110 4.890 4.227 1.00 0.00 N ATOM 976 CA THR A 68 -13.785 4.910 5.647 1.00 0.00 C ATOM 977 C THR A 68 -12.740 3.850 5.969 1.00 0.00 C ATOM 978 O THR A 68 -12.063 3.925 6.994 1.00 0.00 O ATOM 979 CB THR A 68 -15.046 4.661 6.476 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.625 3.421 6.092 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.051 5.790 6.236 1.00 0.00 C ATOM 0 H THR A 68 -15.079 4.652 4.015 1.00 0.00 H new ATOM 0 HA THR A 68 -13.379 5.891 5.896 1.00 0.00 H new ATOM 0 HB THR A 68 -14.784 4.630 7.534 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.432 3.259 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.948 5.610 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.607 6.741 6.530 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.314 5.824 5.179 1.00 0.00 H new ATOM 989 N LEU A 69 -12.609 2.873 5.086 1.00 0.00 N ATOM 990 CA LEU A 69 -11.629 1.810 5.282 1.00 0.00 C ATOM 991 C LEU A 69 -10.209 2.339 5.084 1.00 0.00 C ATOM 992 O LEU A 69 -9.302 2.032 5.850 1.00 0.00 O ATOM 993 CB LEU A 69 -11.910 0.671 4.306 1.00 0.00 C ATOM 994 CG LEU A 69 -10.925 -0.485 4.553 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.508 -1.773 3.965 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.543 -0.185 3.920 1.00 0.00 C ATOM 0 H LEU A 69 -13.162 2.791 4.233 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.712 1.439 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.935 0.320 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.816 1.028 3.280 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.780 -0.602 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.815 -2.597 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.461 -1.994 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.663 -1.646 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.867 -1.019 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.657 -0.048 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.131 0.724 4.359 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.017 3.148 4.057 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.698 3.706 3.790 1.00 0.00 C ATOM 1010 C ILE A 70 -8.161 4.412 5.031 1.00 0.00 C ATOM 1011 O ILE A 70 -6.966 4.346 5.328 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.778 4.688 2.615 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -8.982 3.909 1.306 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.485 5.503 2.530 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.549 4.842 0.232 1.00 0.00 C ATOM 0 H ILE A 70 -10.745 3.432 3.401 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.017 2.896 3.531 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.619 5.364 2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.034 3.487 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.662 3.073 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.548 6.199 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.345 6.061 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.640 4.831 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.692 4.286 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.506 5.243 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.853 5.663 0.059 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.045 5.086 5.750 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.644 5.794 6.954 1.00 0.00 C ATOM 1029 C TRP A 71 -8.464 4.817 8.115 1.00 0.00 C ATOM 1030 O TRP A 71 -8.019 5.206 9.196 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.695 6.846 7.318 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.645 7.963 6.324 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.636 8.280 5.459 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.564 8.907 6.070 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.235 9.364 4.697 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -8.964 9.785 5.035 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.287 9.086 6.636 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.128 10.804 4.576 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.443 10.112 6.175 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -6.863 10.967 5.148 1.00 0.00 C ATOM 0 H TRP A 71 -10.037 5.157 5.523 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.692 6.289 6.763 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.688 6.396 7.327 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.510 7.229 8.322 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.585 7.771 5.377 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.808 9.799 3.974 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -6.954 8.432 7.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.456 11.462 3.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.465 10.242 6.615 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.209 11.752 4.798 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.812 3.546 7.884 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.675 2.519 8.921 1.00 0.00 C ATOM 1053 C ASP A 72 -7.309 1.851 8.823 1.00 0.00 C ATOM 1054 O ASP A 72 -6.705 1.494 9.836 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.774 1.466 8.776 1.00 0.00 C ATOM 1056 CG ASP A 72 -11.126 2.095 9.091 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -11.135 3.142 9.722 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -12.129 1.527 8.698 1.00 0.00 O ATOM 0 H ASP A 72 -9.187 3.207 6.998 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.770 2.999 9.895 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.775 1.064 7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.584 0.631 9.450 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.814 1.706 7.593 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.501 1.100 7.354 1.00 0.00 C ATOM 1065 C HIS A 73 -4.563 2.100 6.667 1.00 0.00 C ATOM 1066 O HIS A 73 -4.010 1.817 5.604 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.658 -0.139 6.469 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.803 -0.970 6.971 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.150 -1.019 8.313 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.692 -1.786 6.322 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.209 -1.841 8.425 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.580 -2.337 7.240 1.00 0.00 N ATOM 0 H HIS A 73 -7.301 1.999 6.746 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.071 0.815 8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.836 0.159 5.436 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.739 -0.724 6.478 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.687 -0.523 9.075 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.702 -1.973 5.258 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.700 -2.072 9.359 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.381 3.252 7.259 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.495 4.321 6.711 1.00 0.00 C ATOM 1083 C PRO A 74 -2.021 3.952 6.805 1.00 0.00 C ATOM 1084 O PRO A 74 -1.154 4.706 6.361 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.810 5.537 7.597 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.276 4.961 8.890 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.007 3.669 8.525 1.00 0.00 C ATOM 0 HA PRO A 74 -3.674 4.498 5.650 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.928 6.162 7.738 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.577 6.166 7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.436 4.762 9.556 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.938 5.652 9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.887 2.910 9.298 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.077 3.836 8.405 1.00 0.00 H new ATOM 1095 N THR A 75 -1.744 2.785 7.372 1.00 0.00 N ATOM 1096 CA THR A 75 -0.365 2.319 7.522 1.00 0.00 C ATOM 1097 C THR A 75 -0.090 1.143 6.591 1.00 0.00 C ATOM 1098 O THR A 75 -1.007 0.436 6.177 1.00 0.00 O ATOM 1099 CB THR A 75 -0.111 1.901 8.972 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.162 1.046 9.404 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.063 3.146 9.861 1.00 0.00 C ATOM 0 H THR A 75 -2.450 2.144 7.735 1.00 0.00 H new ATOM 0 HA THR A 75 0.306 3.136 7.258 1.00 0.00 H new ATOM 0 HB THR A 75 0.840 1.373 9.040 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.002 0.774 10.332 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.118 2.849 10.894 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.741 3.802 9.526 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.014 3.676 9.797 1.00 0.00 H new ATOM 1109 N ILE A 76 1.183 0.945 6.278 1.00 0.00 N ATOM 1110 CA ILE A 76 1.587 -0.148 5.403 1.00 0.00 C ATOM 1111 C ILE A 76 1.340 -1.489 6.079 1.00 0.00 C ATOM 1112 O ILE A 76 0.899 -2.441 5.443 1.00 0.00 O ATOM 1113 CB ILE A 76 3.071 -0.019 5.023 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.254 1.213 4.120 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.541 -1.283 4.275 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.682 1.267 3.560 1.00 0.00 C ATOM 0 H ILE A 76 1.952 1.524 6.615 1.00 0.00 H new ATOM 0 HA ILE A 76 0.988 -0.094 4.494 1.00 0.00 H new ATOM 0 HB ILE A 76 3.666 0.094 5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.537 1.179 3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.046 2.120 4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.594 -1.179 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.412 -2.155 4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.950 -1.410 3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.790 2.146 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.394 1.325 4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.877 0.369 2.974 1.00 0.00 H new ATOM 1128 N ASP A 77 1.665 -1.564 7.363 1.00 0.00 N ATOM 1129 CA ASP A 77 1.505 -2.808 8.099 1.00 0.00 C ATOM 1130 C ASP A 77 0.094 -3.355 7.932 1.00 0.00 C ATOM 1131 O ASP A 77 -0.093 -4.526 7.586 1.00 0.00 O ATOM 1132 CB ASP A 77 1.782 -2.566 9.585 1.00 0.00 C ATOM 1133 CG ASP A 77 1.543 -3.845 10.378 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.970 -4.892 9.922 1.00 0.00 O ATOM 1135 OD2 ASP A 77 0.935 -3.757 11.434 1.00 0.00 O ATOM 0 H ASP A 77 2.037 -0.787 7.910 1.00 0.00 H new ATOM 0 HA ASP A 77 2.213 -3.536 7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.810 -2.231 9.721 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.136 -1.771 9.958 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.897 -2.506 8.170 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.284 -2.923 8.038 1.00 0.00 C ATOM 1142 C ALA A 78 -2.628 -3.198 6.583 1.00 0.00 C ATOM 1143 O ALA A 78 -3.252 -4.209 6.258 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.208 -1.827 8.585 1.00 0.00 C ATOM 0 H ALA A 78 -0.767 -1.535 8.453 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.424 -3.841 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.246 -2.143 8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.982 -1.652 9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.053 -0.906 8.023 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.243 -2.280 5.707 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.562 -2.423 4.295 1.00 0.00 C ATOM 1152 C LEU A 79 -1.959 -3.717 3.752 1.00 0.00 C ATOM 1153 O LEU A 79 -2.620 -4.471 3.036 1.00 0.00 O ATOM 1154 CB LEU A 79 -2.009 -1.225 3.511 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.958 -0.858 2.357 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.289 -2.102 1.509 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.261 -0.247 2.934 1.00 0.00 C ATOM 0 H LEU A 79 -1.716 -1.440 5.945 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.645 -2.458 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.888 -0.371 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.021 -1.464 3.117 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.466 -0.127 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.961 -1.821 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.370 -2.513 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.770 -2.852 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.934 0.013 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.746 -0.974 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.021 0.649 3.505 1.00 0.00 H new ATOM 1169 N SER A 80 -0.699 -3.959 4.089 1.00 0.00 N ATOM 1170 CA SER A 80 -0.016 -5.155 3.618 1.00 0.00 C ATOM 1171 C SER A 80 -0.736 -6.401 4.106 1.00 0.00 C ATOM 1172 O SER A 80 -0.979 -7.323 3.332 1.00 0.00 O ATOM 1173 CB SER A 80 1.426 -5.161 4.126 1.00 0.00 C ATOM 1174 OG SER A 80 2.129 -4.064 3.557 1.00 0.00 O ATOM 0 H SER A 80 -0.134 -3.349 4.681 1.00 0.00 H new ATOM 0 HA SER A 80 -0.016 -5.153 2.528 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.441 -5.092 5.214 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.914 -6.098 3.859 1.00 0.00 H new ATOM 0 HG SER A 80 1.850 -3.233 3.996 1.00 0.00 H new ATOM 1180 N THR A 81 -1.079 -6.416 5.391 1.00 0.00 N ATOM 1181 CA THR A 81 -1.778 -7.559 5.971 1.00 0.00 C ATOM 1182 C THR A 81 -3.050 -7.856 5.182 1.00 0.00 C ATOM 1183 O THR A 81 -3.390 -9.015 4.914 1.00 0.00 O ATOM 1184 CB THR A 81 -2.131 -7.268 7.432 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.958 -6.873 8.132 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.724 -8.522 8.072 1.00 0.00 C ATOM 0 H THR A 81 -0.887 -5.657 6.045 1.00 0.00 H new ATOM 0 HA THR A 81 -1.123 -8.429 5.926 1.00 0.00 H new ATOM 0 HB THR A 81 -2.864 -6.463 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.872 -5.897 8.102 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.976 -8.315 9.112 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.625 -8.815 7.532 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.996 -9.332 8.029 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.765 -6.806 4.814 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.988 -6.978 4.059 1.00 0.00 C ATOM 1196 C ALA A 82 -4.693 -7.479 2.647 1.00 0.00 C ATOM 1197 O ALA A 82 -5.391 -8.358 2.126 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.735 -5.646 3.970 1.00 0.00 C ATOM 0 H ALA A 82 -3.521 -5.838 5.024 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.602 -7.717 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.654 -5.782 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.978 -5.297 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.106 -4.908 3.472 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.654 -6.924 2.016 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.305 -7.314 0.656 1.00 0.00 C ATOM 1206 C LEU A 83 -2.934 -8.794 0.591 1.00 0.00 C ATOM 1207 O LEU A 83 -3.477 -9.544 -0.218 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.128 -6.448 0.161 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.222 -6.253 -1.349 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.030 -5.422 -1.824 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.220 -7.616 -2.043 1.00 0.00 C ATOM 0 H LEU A 83 -3.049 -6.211 2.424 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.170 -7.156 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.142 -5.480 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.182 -6.926 0.416 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.147 -5.731 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.092 -5.280 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.043 -4.451 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.104 -5.942 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.287 -7.475 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.298 -8.145 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.074 -8.200 -1.700 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.016 -9.210 1.452 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.595 -10.602 1.470 1.00 0.00 C ATOM 1225 C VAL A 84 -2.792 -11.497 1.751 1.00 0.00 C ATOM 1226 O VAL A 84 -2.877 -12.616 1.243 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.519 -10.812 2.539 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.097 -10.498 3.915 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.023 -12.262 2.511 1.00 0.00 C ATOM 0 H VAL A 84 -1.554 -8.613 2.138 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.177 -10.861 0.497 1.00 0.00 H new ATOM 0 HB VAL A 84 0.319 -10.146 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.330 -10.648 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.435 -9.462 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.940 -11.159 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.742 -12.400 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.857 -12.936 2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.400 -12.483 1.531 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.719 -10.998 2.563 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.909 -11.767 2.895 1.00 0.00 C ATOM 1241 C ALA A 85 -5.673 -12.120 1.624 1.00 0.00 C ATOM 1242 O ALA A 85 -6.236 -13.210 1.508 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.809 -10.963 3.831 1.00 0.00 C ATOM 0 H ALA A 85 -3.669 -10.076 2.997 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.605 -12.686 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.697 -11.547 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.266 -10.731 4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.107 -10.036 3.341 1.00 0.00 H new