USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 675 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 Single : A 0 THR N :NH3+ -149:sc= 0.0267 (180deg=-0.00124) USER MOD Single : A 0 THR OG1 : rot -130:sc= 0.438 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.759 (180deg=-2.21!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.888 X(o=-0.89,f=-0.66) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.246 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 118:sc= 1.25 USER MOD Single : A 36 SER OG : rot 80:sc= 0.594 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.167 USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 0.747 (180deg=0.594) USER MOD Single : A 57 HIS : no HD1:sc=-0.00494 X(o=-0.0049,f=-0.0049) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -131:sc= -0.552 (180deg=-1.76!) USER MOD Single : A 63 ASN : amide:sc= -0.0433 K(o=-0.043,f=-0.68) USER MOD Single : A 69 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.69) USER MOD Single : A 73 MET CE :methyl -163:sc= -0.0266 (180deg=-0.299) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 4.032 -7.681 -14.355 1.00 0.00 N ATOM 181 CA THR A 0 4.179 -6.261 -14.680 1.00 0.00 C ATOM 182 C THR A 0 5.649 -5.837 -14.548 1.00 0.00 C ATOM 183 O THR A 0 6.344 -6.255 -13.612 1.00 0.00 O ATOM 184 CB THR A 0 3.284 -5.379 -13.735 1.00 0.00 C ATOM 185 OG1 THR A 0 3.528 -5.729 -12.363 1.00 0.00 O ATOM 186 CG2 THR A 0 1.778 -5.517 -14.042 1.00 0.00 C ATOM 0 H1 THR A 0 3.249 -8.084 -14.908 1.00 0.00 H new ATOM 0 H2 THR A 0 4.913 -8.183 -14.585 1.00 0.00 H new ATOM 0 H3 THR A 0 3.829 -7.786 -13.340 1.00 0.00 H new ATOM 0 HA THR A 0 3.853 -6.111 -15.709 1.00 0.00 H new ATOM 0 HB THR A 0 3.559 -4.340 -13.915 1.00 0.00 H new ATOM 0 HG1 THR A 0 2.674 -5.886 -11.909 1.00 0.00 H new ATOM 0 HG21 THR A 0 1.208 -4.886 -13.359 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.586 -5.206 -15.069 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.474 -6.556 -13.915 1.00 0.00 H new ATOM 194 N MET A 1 6.084 -4.968 -15.467 1.00 0.00 N ATOM 195 CA MET A 1 7.464 -4.477 -15.562 1.00 0.00 C ATOM 196 C MET A 1 7.525 -2.966 -15.273 1.00 0.00 C ATOM 197 O MET A 1 6.718 -2.189 -15.804 1.00 0.00 O ATOM 198 CB MET A 1 8.029 -4.815 -16.968 1.00 0.00 C ATOM 199 CG MET A 1 7.247 -4.263 -18.163 1.00 0.00 C ATOM 200 SD MET A 1 8.042 -4.674 -19.733 1.00 0.00 S ATOM 201 CE MET A 1 7.048 -3.749 -20.894 1.00 0.00 C ATOM 0 H MET A 1 5.472 -4.577 -16.183 1.00 0.00 H new ATOM 0 HA MET A 1 8.081 -4.970 -14.811 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.051 -4.441 -17.025 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.081 -5.899 -17.064 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.234 -4.666 -18.152 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.160 -3.180 -18.072 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.946 -4.317 -21.819 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.061 -3.570 -20.467 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.530 -2.794 -21.106 1.00 0.00 H new ATOM 211 N GLU A 2 8.472 -2.569 -14.401 1.00 0.00 N ATOM 212 CA GLU A 2 8.718 -1.153 -14.061 1.00 0.00 C ATOM 213 C GLU A 2 9.651 -0.530 -15.105 1.00 0.00 C ATOM 214 O GLU A 2 10.720 -1.083 -15.389 1.00 0.00 O ATOM 215 CB GLU A 2 9.346 -1.012 -12.650 1.00 0.00 C ATOM 216 CG GLU A 2 9.512 0.450 -12.175 1.00 0.00 C ATOM 217 CD GLU A 2 10.269 0.577 -10.845 1.00 0.00 C ATOM 218 OE1 GLU A 2 11.520 0.520 -10.857 1.00 0.00 O ATOM 219 OE2 GLU A 2 9.621 0.714 -9.787 1.00 0.00 O ATOM 0 H GLU A 2 9.088 -3.220 -13.913 1.00 0.00 H new ATOM 0 HA GLU A 2 7.761 -0.632 -14.059 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.724 -1.547 -11.932 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.323 -1.496 -12.649 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.042 1.015 -12.942 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.527 0.904 -12.068 1.00 0.00 H new ATOM 226 N LEU A 3 9.248 0.620 -15.667 1.00 0.00 N ATOM 227 CA LEU A 3 9.955 1.270 -16.790 1.00 0.00 C ATOM 228 C LEU A 3 10.259 2.735 -16.456 1.00 0.00 C ATOM 229 O LEU A 3 9.387 3.437 -15.941 1.00 0.00 O ATOM 230 CB LEU A 3 9.076 1.204 -18.065 1.00 0.00 C ATOM 231 CG LEU A 3 8.442 -0.176 -18.396 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.519 -0.064 -19.614 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.523 -1.261 -18.585 1.00 0.00 C ATOM 0 H LEU A 3 8.421 1.130 -15.357 1.00 0.00 H new ATOM 0 HA LEU A 3 10.895 0.745 -16.962 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.273 1.934 -17.964 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.684 1.514 -18.915 1.00 0.00 H new ATOM 0 HG LEU A 3 7.832 -0.487 -17.547 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.084 -1.039 -19.832 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.723 0.650 -19.403 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.093 0.277 -20.475 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.046 -2.214 -18.815 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.183 -0.978 -19.405 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.105 -1.359 -17.668 1.00 0.00 H new ATOM 245 N GLU A 4 11.477 3.205 -16.780 1.00 0.00 N ATOM 246 CA GLU A 4 11.847 4.615 -16.589 1.00 0.00 C ATOM 247 C GLU A 4 11.497 5.418 -17.855 1.00 0.00 C ATOM 248 O GLU A 4 12.220 5.380 -18.850 1.00 0.00 O ATOM 249 CB GLU A 4 13.349 4.759 -16.244 1.00 0.00 C ATOM 250 CG GLU A 4 13.799 6.215 -16.002 1.00 0.00 C ATOM 251 CD GLU A 4 15.281 6.353 -15.625 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.135 5.720 -16.288 1.00 0.00 O ATOM 253 OE2 GLU A 4 15.611 7.126 -14.706 1.00 0.00 O ATOM 0 H GLU A 4 12.220 2.628 -17.175 1.00 0.00 H new ATOM 0 HA GLU A 4 11.280 5.012 -15.747 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.565 4.170 -15.353 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.940 4.337 -17.057 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.607 6.799 -16.902 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.190 6.646 -15.207 1.00 0.00 H new ATOM 260 N LEU A 5 10.381 6.152 -17.817 1.00 0.00 N ATOM 261 CA LEU A 5 9.893 6.892 -18.984 1.00 0.00 C ATOM 262 C LEU A 5 10.428 8.321 -18.935 1.00 0.00 C ATOM 263 O LEU A 5 10.021 9.126 -18.097 1.00 0.00 O ATOM 264 CB LEU A 5 8.360 6.865 -19.047 1.00 0.00 C ATOM 265 CG LEU A 5 7.708 5.462 -18.904 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.195 5.566 -19.054 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.303 4.429 -19.887 1.00 0.00 C ATOM 0 H LEU A 5 9.796 6.250 -16.987 1.00 0.00 H new ATOM 0 HA LEU A 5 10.258 6.414 -19.893 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.970 7.509 -18.259 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.045 7.297 -19.997 1.00 0.00 H new ATOM 0 HG LEU A 5 7.936 5.095 -17.903 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.750 4.576 -18.952 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.797 6.224 -18.281 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.954 5.972 -20.036 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.812 3.466 -19.745 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.146 4.769 -20.911 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.372 4.322 -19.700 1.00 0.00 H new ATOM 279 N ARG A 6 11.377 8.593 -19.817 1.00 0.00 N ATOM 280 CA ARG A 6 12.076 9.864 -19.902 1.00 0.00 C ATOM 281 C ARG A 6 11.419 10.748 -20.973 1.00 0.00 C ATOM 282 O ARG A 6 11.324 10.359 -22.127 1.00 0.00 O ATOM 283 CB ARG A 6 13.566 9.589 -20.206 1.00 0.00 C ATOM 284 CG ARG A 6 14.281 8.750 -19.124 1.00 0.00 C ATOM 285 CD ARG A 6 15.747 8.459 -19.455 1.00 0.00 C ATOM 286 NE ARG A 6 16.473 7.955 -18.278 1.00 0.00 N ATOM 287 CZ ARG A 6 17.501 8.573 -17.676 1.00 0.00 C ATOM 288 NH1 ARG A 6 18.048 9.660 -18.208 1.00 0.00 N ATOM 289 NH2 ARG A 6 17.975 8.081 -16.545 1.00 0.00 N ATOM 0 H ARG A 6 11.690 7.916 -20.513 1.00 0.00 H new ATOM 0 HA ARG A 6 12.013 10.404 -18.957 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.642 9.071 -21.162 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.086 10.541 -20.316 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.228 9.277 -18.171 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.750 7.807 -18.996 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.801 7.726 -20.260 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.227 9.368 -19.819 1.00 0.00 H new ATOM 0 HE ARG A 6 16.170 7.063 -17.888 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.687 10.035 -19.085 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.829 10.119 -17.739 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.560 7.242 -16.140 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.756 8.540 -16.077 1.00 0.00 H new ATOM 303 N PHE A 7 10.938 11.921 -20.558 1.00 0.00 N ATOM 304 CA PHE A 7 10.258 12.899 -21.426 1.00 0.00 C ATOM 305 C PHE A 7 11.178 14.085 -21.661 1.00 0.00 C ATOM 306 O PHE A 7 11.809 14.577 -20.728 1.00 0.00 O ATOM 307 CB PHE A 7 8.931 13.354 -20.772 1.00 0.00 C ATOM 308 CG PHE A 7 7.959 12.212 -20.555 1.00 0.00 C ATOM 309 CD1 PHE A 7 8.018 11.441 -19.403 1.00 0.00 C ATOM 310 CD2 PHE A 7 7.001 11.887 -21.514 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.156 10.388 -19.221 1.00 0.00 C ATOM 312 CE2 PHE A 7 6.142 10.825 -21.328 1.00 0.00 C ATOM 313 CZ PHE A 7 6.221 10.075 -20.178 1.00 0.00 C ATOM 0 H PHE A 7 11.009 12.230 -19.588 1.00 0.00 H new ATOM 0 HA PHE A 7 10.023 12.439 -22.386 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.147 13.827 -19.814 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.461 14.109 -21.402 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.749 11.671 -18.642 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.931 12.476 -22.416 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.213 9.800 -18.317 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.409 10.583 -22.083 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.550 9.242 -20.027 1.00 0.00 H new ATOM 323 N PHE A 8 11.279 14.527 -22.920 1.00 0.00 N ATOM 324 CA PHE A 8 12.141 15.655 -23.306 1.00 0.00 C ATOM 325 C PHE A 8 11.336 16.672 -24.116 1.00 0.00 C ATOM 326 O PHE A 8 10.222 16.375 -24.574 1.00 0.00 O ATOM 327 CB PHE A 8 13.383 15.151 -24.085 1.00 0.00 C ATOM 328 CG PHE A 8 14.194 14.118 -23.306 1.00 0.00 C ATOM 329 CD1 PHE A 8 15.121 14.506 -22.337 1.00 0.00 C ATOM 330 CD2 PHE A 8 13.989 12.755 -23.504 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.806 13.563 -21.590 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.680 11.819 -22.771 1.00 0.00 C ATOM 333 CZ PHE A 8 15.587 12.220 -21.809 1.00 0.00 C ATOM 0 H PHE A 8 10.767 14.115 -23.700 1.00 0.00 H new ATOM 0 HA PHE A 8 12.504 16.153 -22.407 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.060 14.714 -25.030 1.00 0.00 H new ATOM 0 HB3 PHE A 8 14.022 16.000 -24.328 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.306 15.556 -22.168 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.275 12.428 -24.246 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.512 13.880 -20.836 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.513 10.767 -22.948 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.123 11.483 -21.230 1.00 0.00 H new ATOM 343 N ALA A 9 11.893 17.892 -24.210 1.00 0.00 N ATOM 344 CA ALA A 9 11.337 19.002 -24.995 1.00 0.00 C ATOM 345 C ALA A 9 9.913 19.404 -24.490 1.00 0.00 C ATOM 346 O ALA A 9 9.764 19.725 -23.303 1.00 0.00 O ATOM 347 CB ALA A 9 11.422 18.679 -26.491 1.00 0.00 C ATOM 0 H ALA A 9 12.760 18.136 -23.732 1.00 0.00 H new ATOM 0 HA ALA A 9 11.939 19.898 -24.845 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.008 19.507 -27.066 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.464 18.528 -26.772 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.855 17.772 -26.700 1.00 0.00 H new ATOM 353 N THR A 10 8.881 19.370 -25.368 1.00 0.00 N ATOM 354 CA THR A 10 7.486 19.681 -24.993 1.00 0.00 C ATOM 355 C THR A 10 6.894 18.592 -24.066 1.00 0.00 C ATOM 356 O THR A 10 6.300 18.909 -23.039 1.00 0.00 O ATOM 357 CB THR A 10 6.591 19.833 -26.266 1.00 0.00 C ATOM 358 OG1 THR A 10 7.152 20.823 -27.143 1.00 0.00 O ATOM 359 CG2 THR A 10 5.150 20.221 -25.917 1.00 0.00 C ATOM 0 H THR A 10 8.995 19.127 -26.352 1.00 0.00 H new ATOM 0 HA THR A 10 7.499 20.626 -24.450 1.00 0.00 H new ATOM 0 HB THR A 10 6.565 18.862 -26.762 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.588 20.912 -27.939 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.567 20.315 -26.833 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.709 19.451 -25.283 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.148 21.173 -25.386 1.00 0.00 H new ATOM 367 N PHE A 11 7.105 17.306 -24.424 1.00 0.00 N ATOM 368 CA PHE A 11 6.584 16.148 -23.641 1.00 0.00 C ATOM 369 C PHE A 11 7.083 16.188 -22.178 1.00 0.00 C ATOM 370 O PHE A 11 6.408 15.689 -21.273 1.00 0.00 O ATOM 371 CB PHE A 11 6.996 14.795 -24.310 1.00 0.00 C ATOM 372 CG PHE A 11 6.260 14.417 -25.610 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.363 15.284 -26.239 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.466 13.164 -26.197 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.705 14.905 -27.397 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.806 12.793 -27.355 1.00 0.00 C ATOM 377 CZ PHE A 11 4.927 13.663 -27.953 1.00 0.00 C ATOM 0 H PHE A 11 7.634 17.036 -25.253 1.00 0.00 H new ATOM 0 HA PHE A 11 5.496 16.221 -23.634 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.065 14.831 -24.521 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.841 13.995 -23.586 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.181 16.261 -25.817 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.155 12.471 -25.736 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.013 15.587 -27.868 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.982 11.820 -27.789 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.411 13.375 -28.857 1.00 0.00 H new ATOM 387 N ARG A 12 8.269 16.804 -21.974 1.00 0.00 N ATOM 388 CA ARG A 12 8.875 16.983 -20.643 1.00 0.00 C ATOM 389 C ARG A 12 8.017 17.896 -19.757 1.00 0.00 C ATOM 390 O ARG A 12 7.649 17.521 -18.638 1.00 0.00 O ATOM 391 CB ARG A 12 10.296 17.584 -20.761 1.00 0.00 C ATOM 392 CG ARG A 12 11.074 17.707 -19.417 1.00 0.00 C ATOM 393 CD ARG A 12 11.732 19.078 -19.186 1.00 0.00 C ATOM 394 NE ARG A 12 10.757 20.093 -18.743 1.00 0.00 N ATOM 395 CZ ARG A 12 10.804 21.396 -19.038 1.00 0.00 C ATOM 396 NH1 ARG A 12 11.657 21.861 -19.935 1.00 0.00 N ATOM 397 NH2 ARG A 12 9.973 22.231 -18.444 1.00 0.00 N ATOM 0 H ARG A 12 8.831 17.191 -22.732 1.00 0.00 H new ATOM 0 HA ARG A 12 8.935 15.997 -20.183 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.879 16.968 -21.445 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.219 18.574 -21.210 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.388 17.504 -18.595 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.846 16.938 -19.386 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.519 18.981 -18.438 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.208 19.411 -20.108 1.00 0.00 H new ATOM 0 HE ARG A 12 9.982 19.773 -18.163 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.292 21.222 -20.414 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.680 22.858 -20.148 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.299 21.881 -17.763 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.005 23.226 -18.666 1.00 0.00 H new ATOM 411 N GLU A 13 7.699 19.103 -20.278 1.00 0.00 N ATOM 412 CA GLU A 13 6.968 20.133 -19.513 1.00 0.00 C ATOM 413 C GLU A 13 5.480 19.762 -19.352 1.00 0.00 C ATOM 414 O GLU A 13 4.813 20.242 -18.430 1.00 0.00 O ATOM 415 CB GLU A 13 7.197 21.559 -20.126 1.00 0.00 C ATOM 416 CG GLU A 13 6.795 21.768 -21.610 1.00 0.00 C ATOM 417 CD GLU A 13 5.288 22.011 -21.837 1.00 0.00 C ATOM 418 OE1 GLU A 13 4.762 23.009 -21.306 1.00 0.00 O ATOM 419 OE2 GLU A 13 4.637 21.242 -22.568 1.00 0.00 O ATOM 0 H GLU A 13 7.939 19.386 -21.228 1.00 0.00 H new ATOM 0 HA GLU A 13 7.375 20.170 -18.503 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.644 22.279 -19.522 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.254 21.804 -20.025 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.351 22.617 -22.008 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.099 20.892 -22.182 1.00 0.00 H new ATOM 426 N VAL A 14 4.980 18.889 -20.247 1.00 0.00 N ATOM 427 CA VAL A 14 3.652 18.256 -20.100 1.00 0.00 C ATOM 428 C VAL A 14 3.597 17.398 -18.813 1.00 0.00 C ATOM 429 O VAL A 14 2.670 17.519 -18.006 1.00 0.00 O ATOM 430 CB VAL A 14 3.290 17.369 -21.348 1.00 0.00 C ATOM 431 CG1 VAL A 14 2.026 16.527 -21.080 1.00 0.00 C ATOM 432 CG2 VAL A 14 3.126 18.231 -22.630 1.00 0.00 C ATOM 0 H VAL A 14 5.481 18.603 -21.088 1.00 0.00 H new ATOM 0 HA VAL A 14 2.917 19.058 -20.029 1.00 0.00 H new ATOM 0 HB VAL A 14 4.121 16.684 -21.518 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.798 15.923 -21.958 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.199 15.873 -20.225 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.187 17.189 -20.867 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.876 17.586 -23.473 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.328 18.958 -22.480 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.059 18.755 -22.838 1.00 0.00 H new ATOM 442 N VAL A 15 4.605 16.534 -18.642 1.00 0.00 N ATOM 443 CA VAL A 15 4.712 15.638 -17.468 1.00 0.00 C ATOM 444 C VAL A 15 5.277 16.404 -16.242 1.00 0.00 C ATOM 445 O VAL A 15 5.143 15.963 -15.093 1.00 0.00 O ATOM 446 CB VAL A 15 5.573 14.370 -17.845 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.718 13.365 -16.668 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.957 13.676 -19.091 1.00 0.00 C ATOM 0 H VAL A 15 5.371 16.431 -19.308 1.00 0.00 H new ATOM 0 HA VAL A 15 3.720 15.288 -17.182 1.00 0.00 H new ATOM 0 HB VAL A 15 6.581 14.714 -18.075 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.320 12.514 -16.988 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.205 13.858 -15.826 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.731 13.017 -16.363 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.552 12.800 -19.351 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.936 13.368 -18.868 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.951 14.372 -19.929 1.00 0.00 H new ATOM 458 N GLY A 16 5.862 17.587 -16.510 1.00 0.00 N ATOM 459 CA GLY A 16 6.421 18.458 -15.470 1.00 0.00 C ATOM 460 C GLY A 16 7.773 17.973 -14.946 1.00 0.00 C ATOM 461 O GLY A 16 8.260 18.464 -13.919 1.00 0.00 O ATOM 0 H GLY A 16 5.958 17.961 -17.454 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.533 19.466 -15.870 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.717 18.521 -14.640 1.00 0.00 H new ATOM 465 N GLN A 17 8.380 17.023 -15.682 1.00 0.00 N ATOM 466 CA GLN A 17 9.647 16.366 -15.307 1.00 0.00 C ATOM 467 C GLN A 17 10.214 15.587 -16.504 1.00 0.00 C ATOM 468 O GLN A 17 9.468 15.192 -17.413 1.00 0.00 O ATOM 469 CB GLN A 17 9.452 15.446 -14.068 1.00 0.00 C ATOM 470 CG GLN A 17 8.259 14.482 -14.170 1.00 0.00 C ATOM 471 CD GLN A 17 7.974 13.702 -12.885 1.00 0.00 C ATOM 472 OE1 GLN A 17 6.818 13.446 -12.550 1.00 0.00 O ATOM 473 NE2 GLN A 17 9.014 13.255 -12.199 1.00 0.00 N ATOM 0 H GLN A 17 7.999 16.685 -16.566 1.00 0.00 H new ATOM 0 HA GLN A 17 10.369 17.133 -15.029 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.361 14.864 -13.917 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.323 16.071 -13.184 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.369 15.050 -14.442 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.446 13.774 -14.978 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.961 13.484 -12.501 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.869 12.682 -11.368 1.00 0.00 H new ATOM 482 N LYS A 18 11.545 15.377 -16.486 1.00 0.00 N ATOM 483 CA LYS A 18 12.295 14.811 -17.624 1.00 0.00 C ATOM 484 C LYS A 18 12.386 13.277 -17.588 1.00 0.00 C ATOM 485 O LYS A 18 12.803 12.663 -18.573 1.00 0.00 O ATOM 486 CB LYS A 18 13.719 15.419 -17.697 1.00 0.00 C ATOM 487 CG LYS A 18 14.618 15.127 -16.472 1.00 0.00 C ATOM 488 CD LYS A 18 16.086 15.553 -16.693 1.00 0.00 C ATOM 489 CE LYS A 18 16.755 14.771 -17.843 1.00 0.00 C ATOM 490 NZ LYS A 18 18.149 15.214 -18.084 1.00 0.00 N ATOM 0 H LYS A 18 12.131 15.596 -15.680 1.00 0.00 H new ATOM 0 HA LYS A 18 11.733 15.077 -18.519 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.214 15.040 -18.591 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.631 16.499 -17.815 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.220 15.649 -15.602 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.584 14.061 -16.247 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.123 16.620 -16.912 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.650 15.396 -15.774 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.749 13.707 -17.608 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.172 14.899 -18.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.559 14.662 -18.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.154 16.223 -18.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.714 15.068 -17.223 1.00 0.00 H new ATOM 504 N SER A 19 12.043 12.669 -16.447 1.00 0.00 N ATOM 505 CA SER A 19 12.059 11.200 -16.265 1.00 0.00 C ATOM 506 C SER A 19 11.069 10.817 -15.147 1.00 0.00 C ATOM 507 O SER A 19 10.860 11.596 -14.203 1.00 0.00 O ATOM 508 CB SER A 19 13.484 10.679 -15.898 1.00 0.00 C ATOM 509 OG SER A 19 14.496 11.206 -16.758 1.00 0.00 O ATOM 0 H SER A 19 11.744 13.178 -15.615 1.00 0.00 H new ATOM 0 HA SER A 19 11.766 10.738 -17.208 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.712 10.948 -14.867 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.495 9.590 -15.953 1.00 0.00 H new ATOM 0 HG SER A 19 15.370 10.853 -16.489 1.00 0.00 H new ATOM 515 N ILE A 20 10.456 9.630 -15.281 1.00 0.00 N ATOM 516 CA ILE A 20 9.566 9.023 -14.264 1.00 0.00 C ATOM 517 C ILE A 20 9.836 7.513 -14.212 1.00 0.00 C ATOM 518 O ILE A 20 10.580 6.990 -15.041 1.00 0.00 O ATOM 519 CB ILE A 20 8.030 9.252 -14.580 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.605 8.529 -15.890 1.00 0.00 C ATOM 521 CG2 ILE A 20 7.674 10.747 -14.663 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.167 8.774 -16.314 1.00 0.00 C ATOM 0 H ILE A 20 10.564 9.050 -16.113 1.00 0.00 H new ATOM 0 HA ILE A 20 9.782 9.504 -13.310 1.00 0.00 H new ATOM 0 HB ILE A 20 7.475 8.819 -13.748 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.266 8.848 -16.696 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.754 7.457 -15.762 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.612 10.856 -14.881 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.900 11.228 -13.712 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.257 11.217 -15.455 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.962 8.230 -17.236 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.493 8.427 -15.531 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.013 9.840 -16.480 1.00 0.00 H new ATOM 534 N TYR A 21 9.236 6.823 -13.236 1.00 0.00 N ATOM 535 CA TYR A 21 9.102 5.359 -13.262 1.00 0.00 C ATOM 536 C TYR A 21 7.611 4.986 -13.272 1.00 0.00 C ATOM 537 O TYR A 21 6.880 5.235 -12.306 1.00 0.00 O ATOM 538 CB TYR A 21 9.824 4.684 -12.064 1.00 0.00 C ATOM 539 CG TYR A 21 11.354 4.620 -12.192 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.172 5.645 -11.715 1.00 0.00 C ATOM 541 CD2 TYR A 21 11.981 3.512 -12.778 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.548 5.568 -11.817 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.355 3.436 -12.880 1.00 0.00 C ATOM 544 CZ TYR A 21 14.134 4.460 -12.398 1.00 0.00 C ATOM 545 OH TYR A 21 15.507 4.379 -12.499 1.00 0.00 O ATOM 0 H TYR A 21 8.831 7.260 -12.408 1.00 0.00 H new ATOM 0 HA TYR A 21 9.582 4.990 -14.169 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.571 5.226 -11.153 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.440 3.671 -11.949 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.722 6.514 -11.258 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.377 2.701 -13.157 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.164 6.372 -11.443 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.817 2.574 -13.338 1.00 0.00 H new ATOM 0 HH TYR A 21 15.754 3.535 -12.932 1.00 0.00 H new ATOM 555 N TRP A 22 7.185 4.415 -14.400 1.00 0.00 N ATOM 556 CA TRP A 22 5.888 3.748 -14.564 1.00 0.00 C ATOM 557 C TRP A 22 6.054 2.257 -14.259 1.00 0.00 C ATOM 558 O TRP A 22 7.146 1.788 -13.934 1.00 0.00 O ATOM 559 CB TRP A 22 5.366 3.924 -16.025 1.00 0.00 C ATOM 560 CG TRP A 22 4.262 4.932 -16.217 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.152 6.172 -15.678 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.122 4.769 -17.055 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.029 6.796 -16.158 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.378 5.948 -16.997 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.672 3.734 -17.852 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.203 6.120 -17.708 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.501 3.898 -18.552 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.784 5.091 -18.478 1.00 0.00 C ATOM 0 H TRP A 22 7.748 4.402 -15.251 1.00 0.00 H new ATOM 0 HA TRP A 22 5.167 4.194 -13.879 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.206 4.211 -16.657 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.013 2.957 -16.382 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.847 6.605 -14.974 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.731 7.743 -15.923 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.231 2.812 -17.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.642 7.041 -17.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.131 3.092 -19.168 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.127 5.196 -19.049 1.00 0.00 H new ATOM 579 N ARG A 23 4.947 1.540 -14.390 1.00 0.00 N ATOM 580 CA ARG A 23 4.890 0.089 -14.288 1.00 0.00 C ATOM 581 C ARG A 23 3.650 -0.377 -15.045 1.00 0.00 C ATOM 582 O ARG A 23 2.536 -0.106 -14.622 1.00 0.00 O ATOM 583 CB ARG A 23 4.871 -0.342 -12.802 1.00 0.00 C ATOM 584 CG ARG A 23 4.712 -1.860 -12.557 1.00 0.00 C ATOM 585 CD ARG A 23 4.983 -2.249 -11.092 1.00 0.00 C ATOM 586 NE ARG A 23 4.363 -3.532 -10.731 1.00 0.00 N ATOM 587 CZ ARG A 23 4.576 -4.202 -9.590 1.00 0.00 C ATOM 588 NH1 ARG A 23 5.515 -3.824 -8.732 1.00 0.00 N ATOM 589 NH2 ARG A 23 3.850 -5.263 -9.320 1.00 0.00 N ATOM 0 H ARG A 23 4.038 1.964 -14.575 1.00 0.00 H new ATOM 0 HA ARG A 23 5.772 -0.374 -14.730 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.797 -0.010 -12.332 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.055 0.178 -12.300 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.702 -2.166 -12.831 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.397 -2.404 -13.207 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.059 -2.309 -10.928 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.603 -1.467 -10.435 1.00 0.00 H new ATOM 0 HE ARG A 23 3.718 -3.946 -11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.093 -3.008 -8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.659 -4.349 -7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.132 -5.570 -9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.004 -5.780 -8.454 1.00 0.00 H new ATOM 603 N VAL A 24 3.876 -1.039 -16.184 1.00 0.00 N ATOM 604 CA VAL A 24 2.816 -1.578 -17.059 1.00 0.00 C ATOM 605 C VAL A 24 2.887 -3.103 -17.022 1.00 0.00 C ATOM 606 O VAL A 24 3.773 -3.662 -16.391 1.00 0.00 O ATOM 607 CB VAL A 24 2.982 -1.102 -18.560 1.00 0.00 C ATOM 608 CG1 VAL A 24 2.817 0.423 -18.694 1.00 0.00 C ATOM 609 CG2 VAL A 24 4.332 -1.581 -19.163 1.00 0.00 C ATOM 0 H VAL A 24 4.816 -1.222 -16.535 1.00 0.00 H new ATOM 0 HA VAL A 24 1.857 -1.211 -16.694 1.00 0.00 H new ATOM 0 HB VAL A 24 2.182 -1.567 -19.136 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.938 0.712 -19.738 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.824 0.713 -18.350 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.572 0.925 -18.089 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.413 -1.237 -20.194 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.157 -1.173 -18.579 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.375 -2.670 -19.140 1.00 0.00 H new ATOM 619 N ASP A 25 1.951 -3.761 -17.705 1.00 0.00 N ATOM 620 CA ASP A 25 1.934 -5.228 -17.833 1.00 0.00 C ATOM 621 C ASP A 25 3.127 -5.700 -18.713 1.00 0.00 C ATOM 622 O ASP A 25 3.668 -4.924 -19.506 1.00 0.00 O ATOM 623 CB ASP A 25 0.570 -5.678 -18.423 1.00 0.00 C ATOM 624 CG ASP A 25 0.232 -7.154 -18.135 1.00 0.00 C ATOM 625 OD1 ASP A 25 0.740 -8.045 -18.838 1.00 0.00 O ATOM 626 OD2 ASP A 25 -0.553 -7.427 -17.207 1.00 0.00 O ATOM 0 H ASP A 25 1.181 -3.297 -18.187 1.00 0.00 H new ATOM 0 HA ASP A 25 2.048 -5.689 -16.852 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.219 -5.047 -18.015 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.580 -5.520 -19.501 1.00 0.00 H new ATOM 631 N ASP A 26 3.545 -6.967 -18.558 1.00 0.00 N ATOM 632 CA ASP A 26 4.642 -7.555 -19.368 1.00 0.00 C ATOM 633 C ASP A 26 4.163 -7.841 -20.816 1.00 0.00 C ATOM 634 O ASP A 26 4.974 -7.971 -21.737 1.00 0.00 O ATOM 635 CB ASP A 26 5.185 -8.835 -18.678 1.00 0.00 C ATOM 636 CG ASP A 26 6.239 -9.602 -19.507 1.00 0.00 C ATOM 637 OD1 ASP A 26 7.446 -9.305 -19.389 1.00 0.00 O ATOM 638 OD2 ASP A 26 5.868 -10.516 -20.277 1.00 0.00 O ATOM 0 H ASP A 26 3.142 -7.612 -17.878 1.00 0.00 H new ATOM 0 HA ASP A 26 5.459 -6.837 -19.435 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.624 -8.559 -17.719 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.350 -9.502 -18.466 1.00 0.00 H new ATOM 643 N ASP A 27 2.832 -7.900 -20.996 1.00 0.00 N ATOM 644 CA ASP A 27 2.198 -8.051 -22.324 1.00 0.00 C ATOM 645 C ASP A 27 2.127 -6.681 -23.025 1.00 0.00 C ATOM 646 O ASP A 27 2.098 -6.603 -24.264 1.00 0.00 O ATOM 647 CB ASP A 27 0.763 -8.635 -22.149 1.00 0.00 C ATOM 648 CG ASP A 27 -0.038 -8.719 -23.462 1.00 0.00 C ATOM 649 OD1 ASP A 27 0.255 -9.604 -24.288 1.00 0.00 O ATOM 650 OD2 ASP A 27 -0.962 -7.905 -23.667 1.00 0.00 O ATOM 0 H ASP A 27 2.163 -7.845 -20.228 1.00 0.00 H new ATOM 0 HA ASP A 27 2.791 -8.731 -22.936 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.837 -9.632 -21.715 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.214 -8.018 -21.438 1.00 0.00 H new ATOM 655 N ALA A 28 2.147 -5.611 -22.215 1.00 0.00 N ATOM 656 CA ALA A 28 2.265 -4.233 -22.699 1.00 0.00 C ATOM 657 C ALA A 28 3.689 -3.988 -23.219 1.00 0.00 C ATOM 658 O ALA A 28 4.649 -4.588 -22.732 1.00 0.00 O ATOM 659 CB ALA A 28 1.913 -3.253 -21.574 1.00 0.00 C ATOM 0 H ALA A 28 2.081 -5.682 -21.200 1.00 0.00 H new ATOM 0 HA ALA A 28 1.566 -4.073 -23.520 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.003 -2.231 -21.941 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.890 -3.431 -21.243 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.596 -3.399 -20.737 1.00 0.00 H new ATOM 665 N THR A 29 3.804 -3.128 -24.232 1.00 0.00 N ATOM 666 CA THR A 29 5.086 -2.762 -24.872 1.00 0.00 C ATOM 667 C THR A 29 5.185 -1.224 -25.005 1.00 0.00 C ATOM 668 O THR A 29 4.319 -0.516 -24.512 1.00 0.00 O ATOM 669 CB THR A 29 5.211 -3.434 -26.276 1.00 0.00 C ATOM 670 OG1 THR A 29 4.053 -3.119 -27.070 1.00 0.00 O ATOM 671 CG2 THR A 29 5.375 -4.960 -26.184 1.00 0.00 C ATOM 0 H THR A 29 3.000 -2.654 -24.644 1.00 0.00 H new ATOM 0 HA THR A 29 5.904 -3.120 -24.247 1.00 0.00 H new ATOM 0 HB THR A 29 6.111 -3.037 -26.747 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.327 -2.609 -27.861 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.457 -5.378 -27.187 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.276 -5.196 -25.617 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.508 -5.390 -25.682 1.00 0.00 H new ATOM 679 N VAL A 30 6.254 -0.731 -25.681 1.00 0.00 N ATOM 680 CA VAL A 30 6.517 0.723 -25.912 1.00 0.00 C ATOM 681 C VAL A 30 5.289 1.466 -26.497 1.00 0.00 C ATOM 682 O VAL A 30 4.995 2.605 -26.107 1.00 0.00 O ATOM 683 CB VAL A 30 7.812 0.909 -26.812 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.790 -0.025 -28.049 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.032 2.396 -27.219 1.00 0.00 C ATOM 0 H VAL A 30 6.969 -1.334 -26.088 1.00 0.00 H new ATOM 0 HA VAL A 30 6.704 1.184 -24.942 1.00 0.00 H new ATOM 0 HB VAL A 30 8.666 0.617 -26.201 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.693 0.132 -28.640 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.748 -1.063 -27.720 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.914 0.199 -28.658 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.929 2.476 -27.834 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.171 2.749 -27.786 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.151 3.005 -26.323 1.00 0.00 H new ATOM 695 N GLY A 31 4.555 0.768 -27.368 1.00 0.00 N ATOM 696 CA GLY A 31 3.325 1.286 -27.966 1.00 0.00 C ATOM 697 C GLY A 31 2.164 1.377 -26.980 1.00 0.00 C ATOM 698 O GLY A 31 1.403 2.344 -27.006 1.00 0.00 O ATOM 0 H GLY A 31 4.799 -0.173 -27.678 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.519 2.276 -28.379 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.036 0.644 -28.798 1.00 0.00 H new ATOM 702 N ASP A 32 2.017 0.351 -26.118 1.00 0.00 N ATOM 703 CA ASP A 32 0.971 0.344 -25.072 1.00 0.00 C ATOM 704 C ASP A 32 1.303 1.372 -23.967 1.00 0.00 C ATOM 705 O ASP A 32 0.403 1.923 -23.339 1.00 0.00 O ATOM 706 CB ASP A 32 0.770 -1.067 -24.458 1.00 0.00 C ATOM 707 CG ASP A 32 -0.459 -1.135 -23.511 1.00 0.00 C ATOM 708 OD1 ASP A 32 -1.574 -1.440 -23.986 1.00 0.00 O ATOM 709 OD2 ASP A 32 -0.309 -0.908 -22.285 1.00 0.00 O ATOM 0 H ASP A 32 2.606 -0.481 -26.124 1.00 0.00 H new ATOM 0 HA ASP A 32 0.033 0.627 -25.550 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.647 -1.794 -25.260 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.666 -1.350 -23.906 1.00 0.00 H new ATOM 714 N VAL A 33 2.610 1.621 -23.752 1.00 0.00 N ATOM 715 CA VAL A 33 3.098 2.624 -22.790 1.00 0.00 C ATOM 716 C VAL A 33 2.559 4.010 -23.165 1.00 0.00 C ATOM 717 O VAL A 33 1.778 4.584 -22.402 1.00 0.00 O ATOM 718 CB VAL A 33 4.680 2.611 -22.731 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.255 3.864 -22.036 1.00 0.00 C ATOM 720 CG2 VAL A 33 5.182 1.321 -22.037 1.00 0.00 C ATOM 0 H VAL A 33 3.357 1.130 -24.243 1.00 0.00 H new ATOM 0 HA VAL A 33 2.732 2.376 -21.794 1.00 0.00 H new ATOM 0 HB VAL A 33 5.041 2.627 -23.759 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.343 3.805 -22.022 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.947 4.756 -22.581 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.881 3.917 -21.013 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.271 1.326 -22.004 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.788 1.277 -21.022 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.840 0.450 -22.596 1.00 0.00 H new ATOM 730 N LEU A 34 2.891 4.492 -24.374 1.00 0.00 N ATOM 731 CA LEU A 34 2.443 5.818 -24.845 1.00 0.00 C ATOM 732 C LEU A 34 0.905 5.855 -25.048 1.00 0.00 C ATOM 733 O LEU A 34 0.270 6.892 -24.844 1.00 0.00 O ATOM 734 CB LEU A 34 3.272 6.302 -26.082 1.00 0.00 C ATOM 735 CG LEU A 34 3.545 5.298 -27.255 1.00 0.00 C ATOM 736 CD1 LEU A 34 2.313 5.072 -28.147 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.770 5.747 -28.091 1.00 0.00 C ATOM 0 H LEU A 34 3.468 3.985 -25.045 1.00 0.00 H new ATOM 0 HA LEU A 34 2.648 6.551 -24.064 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.760 7.168 -26.502 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.238 6.650 -25.715 1.00 0.00 H new ATOM 0 HG LEU A 34 3.772 4.335 -26.798 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.563 4.368 -28.941 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.498 4.667 -27.546 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.003 6.020 -28.587 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.940 5.035 -28.899 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.581 6.735 -28.512 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.652 5.787 -27.452 1.00 0.00 H new ATOM 749 N ARG A 35 0.319 4.698 -25.409 1.00 0.00 N ATOM 750 CA ARG A 35 -1.153 4.514 -25.449 1.00 0.00 C ATOM 751 C ARG A 35 -1.805 4.841 -24.087 1.00 0.00 C ATOM 752 O ARG A 35 -2.837 5.514 -24.014 1.00 0.00 O ATOM 753 CB ARG A 35 -1.486 3.056 -25.926 1.00 0.00 C ATOM 754 CG ARG A 35 -2.936 2.540 -25.696 1.00 0.00 C ATOM 755 CD ARG A 35 -4.006 3.529 -26.160 1.00 0.00 C ATOM 756 NE ARG A 35 -5.373 3.040 -25.919 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.426 3.825 -25.647 1.00 0.00 C ATOM 758 NH1 ARG A 35 -6.289 5.151 -25.581 1.00 0.00 N ATOM 759 NH2 ARG A 35 -7.609 3.279 -25.432 1.00 0.00 N ATOM 0 H ARG A 35 0.844 3.867 -25.680 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.577 5.217 -26.166 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.272 2.994 -26.993 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.802 2.373 -25.423 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.068 1.597 -26.226 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.077 2.332 -24.635 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.867 4.478 -25.642 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.877 3.725 -27.224 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.531 2.033 -25.962 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.376 5.578 -25.738 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.097 5.738 -25.373 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.718 2.266 -25.473 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.414 3.871 -25.225 1.00 0.00 H new ATOM 773 N SER A 36 -1.230 4.326 -23.032 1.00 0.00 N ATOM 774 CA SER A 36 -1.708 4.543 -21.673 1.00 0.00 C ATOM 775 C SER A 36 -1.355 5.971 -21.157 1.00 0.00 C ATOM 776 O SER A 36 -2.081 6.539 -20.332 1.00 0.00 O ATOM 777 CB SER A 36 -1.185 3.431 -20.777 1.00 0.00 C ATOM 778 OG SER A 36 -1.587 2.149 -21.225 1.00 0.00 O ATOM 0 H SER A 36 -0.402 3.733 -23.084 1.00 0.00 H new ATOM 0 HA SER A 36 -2.797 4.499 -21.658 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.097 3.477 -20.742 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.544 3.587 -19.760 1.00 0.00 H new ATOM 0 HG SER A 36 -1.008 1.864 -21.962 1.00 0.00 H new ATOM 784 N LEU A 37 -0.191 6.512 -21.606 1.00 0.00 N ATOM 785 CA LEU A 37 0.314 7.858 -21.190 1.00 0.00 C ATOM 786 C LEU A 37 -0.703 8.972 -21.477 1.00 0.00 C ATOM 787 O LEU A 37 -0.918 9.840 -20.635 1.00 0.00 O ATOM 788 CB LEU A 37 1.687 8.205 -21.879 1.00 0.00 C ATOM 789 CG LEU A 37 2.964 8.081 -20.995 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.874 8.967 -19.732 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.251 6.629 -20.634 1.00 0.00 C ATOM 0 H LEU A 37 0.425 6.034 -22.264 1.00 0.00 H new ATOM 0 HA LEU A 37 0.467 7.802 -20.112 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.808 7.554 -22.745 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.631 9.227 -22.254 1.00 0.00 H new ATOM 0 HG LEU A 37 3.803 8.446 -21.587 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.783 8.853 -19.142 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.761 10.010 -20.027 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.014 8.664 -19.135 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.148 6.578 -20.017 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.406 6.218 -20.081 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.404 6.051 -21.545 1.00 0.00 H new ATOM 803 N GLU A 38 -1.296 8.941 -22.679 1.00 0.00 N ATOM 804 CA GLU A 38 -2.317 9.929 -23.091 1.00 0.00 C ATOM 805 C GLU A 38 -3.590 9.847 -22.229 1.00 0.00 C ATOM 806 O GLU A 38 -4.262 10.864 -22.024 1.00 0.00 O ATOM 807 CB GLU A 38 -2.680 9.769 -24.590 1.00 0.00 C ATOM 808 CG GLU A 38 -2.916 8.323 -25.052 1.00 0.00 C ATOM 809 CD GLU A 38 -3.519 8.150 -26.454 1.00 0.00 C ATOM 810 OE1 GLU A 38 -3.323 9.025 -27.330 1.00 0.00 O ATOM 811 OE2 GLU A 38 -4.209 7.127 -26.682 1.00 0.00 O ATOM 0 H GLU A 38 -1.088 8.240 -23.390 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.874 10.913 -22.938 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.579 10.351 -24.794 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.878 10.200 -25.190 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.964 7.793 -25.021 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.575 7.837 -24.333 1.00 0.00 H new ATOM 818 N ALA A 39 -3.896 8.636 -21.717 1.00 0.00 N ATOM 819 CA ALA A 39 -5.080 8.399 -20.868 1.00 0.00 C ATOM 820 C ALA A 39 -4.984 9.167 -19.528 1.00 0.00 C ATOM 821 O ALA A 39 -6.004 9.424 -18.871 1.00 0.00 O ATOM 822 CB ALA A 39 -5.271 6.888 -20.633 1.00 0.00 C ATOM 0 H ALA A 39 -3.333 7.801 -21.880 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.956 8.782 -21.392 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.147 6.725 -20.005 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.412 6.386 -21.590 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.389 6.483 -20.137 1.00 0.00 H new ATOM 828 N GLU A 40 -3.746 9.513 -19.117 1.00 0.00 N ATOM 829 CA GLU A 40 -3.496 10.336 -17.920 1.00 0.00 C ATOM 830 C GLU A 40 -3.299 11.796 -18.345 1.00 0.00 C ATOM 831 O GLU A 40 -4.012 12.710 -17.906 1.00 0.00 O ATOM 832 CB GLU A 40 -2.233 9.854 -17.150 1.00 0.00 C ATOM 833 CG GLU A 40 -2.068 8.335 -17.023 1.00 0.00 C ATOM 834 CD GLU A 40 -1.138 7.943 -15.859 1.00 0.00 C ATOM 835 OE1 GLU A 40 0.037 8.377 -15.838 1.00 0.00 O ATOM 836 OE2 GLU A 40 -1.586 7.229 -14.940 1.00 0.00 O ATOM 0 H GLU A 40 -2.896 9.230 -19.605 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.356 10.242 -17.257 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.351 10.256 -17.649 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.256 10.283 -16.148 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.046 7.877 -16.874 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.668 7.936 -17.955 1.00 0.00 H new ATOM 843 N TYR A 41 -2.297 11.984 -19.216 1.00 0.00 N ATOM 844 CA TYR A 41 -1.824 13.288 -19.661 1.00 0.00 C ATOM 845 C TYR A 41 -2.571 13.737 -20.918 1.00 0.00 C ATOM 846 O TYR A 41 -2.341 13.217 -22.020 1.00 0.00 O ATOM 847 CB TYR A 41 -0.294 13.250 -19.910 1.00 0.00 C ATOM 848 CG TYR A 41 0.531 12.959 -18.650 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.846 11.652 -18.268 1.00 0.00 C ATOM 850 CD2 TYR A 41 0.986 13.997 -17.831 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.580 11.395 -17.125 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.719 13.741 -16.689 1.00 0.00 C ATOM 853 CZ TYR A 41 2.016 12.443 -16.340 1.00 0.00 C ATOM 854 OH TYR A 41 2.756 12.196 -15.203 1.00 0.00 O ATOM 0 H TYR A 41 -1.785 11.209 -19.637 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.026 14.015 -18.875 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.076 12.489 -20.659 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.021 14.207 -20.326 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.509 10.827 -18.878 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.760 15.019 -18.097 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.811 10.377 -16.847 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.059 14.558 -16.070 1.00 0.00 H new ATOM 0 HH TYR A 41 2.982 13.045 -14.769 1.00 0.00 H new ATOM 864 N ASP A 42 -3.480 14.695 -20.719 1.00 0.00 N ATOM 865 CA ASP A 42 -4.205 15.377 -21.805 1.00 0.00 C ATOM 866 C ASP A 42 -3.221 16.139 -22.711 1.00 0.00 C ATOM 867 O ASP A 42 -3.435 16.252 -23.919 1.00 0.00 O ATOM 868 CB ASP A 42 -5.251 16.358 -21.221 1.00 0.00 C ATOM 869 CG ASP A 42 -6.286 15.665 -20.320 1.00 0.00 C ATOM 870 OD1 ASP A 42 -5.974 15.400 -19.139 1.00 0.00 O ATOM 871 OD2 ASP A 42 -7.401 15.368 -20.789 1.00 0.00 O ATOM 0 H ASP A 42 -3.739 15.026 -19.790 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.721 14.624 -22.400 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.737 17.130 -20.648 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.768 16.859 -22.039 1.00 0.00 H new ATOM 876 N GLY A 43 -2.127 16.632 -22.090 1.00 0.00 N ATOM 877 CA GLY A 43 -1.034 17.306 -22.801 1.00 0.00 C ATOM 878 C GLY A 43 -0.241 16.389 -23.729 1.00 0.00 C ATOM 879 O GLY A 43 0.525 16.876 -24.560 1.00 0.00 O ATOM 0 H GLY A 43 -1.983 16.571 -21.082 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.447 18.129 -23.385 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.354 17.743 -22.070 1.00 0.00 H new ATOM 883 N LEU A 44 -0.368 15.058 -23.528 1.00 0.00 N ATOM 884 CA LEU A 44 0.253 14.029 -24.395 1.00 0.00 C ATOM 885 C LEU A 44 -0.784 13.395 -25.340 1.00 0.00 C ATOM 886 O LEU A 44 -0.395 12.702 -26.274 1.00 0.00 O ATOM 887 CB LEU A 44 0.923 12.913 -23.541 1.00 0.00 C ATOM 888 CG LEU A 44 2.187 13.318 -22.729 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.731 12.139 -21.895 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.277 13.904 -23.645 1.00 0.00 C ATOM 0 H LEU A 44 -0.907 14.665 -22.756 1.00 0.00 H new ATOM 0 HA LEU A 44 1.015 14.529 -24.993 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.180 12.526 -22.843 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.194 12.093 -24.206 1.00 0.00 H new ATOM 0 HG LEU A 44 1.886 14.098 -22.030 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.613 12.461 -21.342 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.966 11.805 -21.194 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.999 11.317 -22.559 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.147 14.177 -23.047 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.566 13.161 -24.388 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.891 14.790 -24.149 1.00 0.00 H new ATOM 902 N ALA A 45 -2.084 13.652 -25.104 1.00 0.00 N ATOM 903 CA ALA A 45 -3.192 13.003 -25.847 1.00 0.00 C ATOM 904 C ALA A 45 -3.094 13.229 -27.371 1.00 0.00 C ATOM 905 O ALA A 45 -3.012 14.373 -27.825 1.00 0.00 O ATOM 906 CB ALA A 45 -4.545 13.487 -25.308 1.00 0.00 C ATOM 0 H ALA A 45 -2.401 14.314 -24.395 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.107 11.928 -25.685 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.351 13.004 -25.861 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.627 13.234 -24.251 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.619 14.568 -25.429 1.00 0.00 H new ATOM 912 N GLY A 46 -3.021 12.112 -28.130 1.00 0.00 N ATOM 913 CA GLY A 46 -3.100 12.125 -29.602 1.00 0.00 C ATOM 914 C GLY A 46 -1.790 12.471 -30.325 1.00 0.00 C ATOM 915 O GLY A 46 -1.638 12.156 -31.506 1.00 0.00 O ATOM 0 H GLY A 46 -2.906 11.178 -27.736 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.435 11.144 -29.940 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.863 12.843 -29.902 1.00 0.00 H new ATOM 919 N ARG A 47 -0.843 13.113 -29.619 1.00 0.00 N ATOM 920 CA ARG A 47 0.436 13.589 -30.213 1.00 0.00 C ATOM 921 C ARG A 47 1.557 12.543 -30.062 1.00 0.00 C ATOM 922 O ARG A 47 2.698 12.767 -30.489 1.00 0.00 O ATOM 923 CB ARG A 47 0.839 14.933 -29.553 1.00 0.00 C ATOM 924 CG ARG A 47 1.212 14.826 -28.074 1.00 0.00 C ATOM 925 CD ARG A 47 1.299 16.185 -27.374 1.00 0.00 C ATOM 926 NE ARG A 47 2.157 17.146 -28.075 1.00 0.00 N ATOM 927 CZ ARG A 47 2.415 18.392 -27.660 1.00 0.00 C ATOM 928 NH1 ARG A 47 1.966 18.841 -26.485 1.00 0.00 N ATOM 929 NH2 ARG A 47 3.135 19.185 -28.426 1.00 0.00 N ATOM 0 H ARG A 47 -0.934 13.320 -28.624 1.00 0.00 H new ATOM 0 HA ARG A 47 0.287 13.742 -31.282 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.684 15.352 -30.099 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.013 15.636 -29.656 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.473 14.208 -27.563 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.171 14.316 -27.984 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.297 16.603 -27.282 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.678 16.041 -26.362 1.00 0.00 H new ATOM 0 HE ARG A 47 2.591 16.841 -28.946 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.414 18.230 -25.883 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.175 19.795 -26.190 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.487 18.847 -29.322 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.340 20.137 -28.124 1.00 0.00 H new ATOM 943 N LEU A 48 1.207 11.400 -29.452 1.00 0.00 N ATOM 944 CA LEU A 48 2.126 10.270 -29.210 1.00 0.00 C ATOM 945 C LEU A 48 1.555 8.972 -29.829 1.00 0.00 C ATOM 946 O LEU A 48 2.117 7.897 -29.631 1.00 0.00 O ATOM 947 CB LEU A 48 2.405 10.113 -27.674 1.00 0.00 C ATOM 948 CG LEU A 48 1.338 9.417 -26.753 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.654 9.662 -25.263 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.114 9.786 -27.092 1.00 0.00 C ATOM 0 H LEU A 48 0.263 11.229 -29.106 1.00 0.00 H new ATOM 0 HA LEU A 48 3.080 10.474 -29.697 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.337 9.558 -27.568 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.580 11.111 -27.272 1.00 0.00 H new ATOM 0 HG LEU A 48 1.416 8.349 -26.955 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.902 9.171 -24.646 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.638 9.256 -25.028 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.646 10.733 -25.061 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.790 9.266 -26.413 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.250 10.862 -26.986 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.334 9.492 -28.118 1.00 0.00 H new ATOM 962 N ILE A 49 0.414 9.093 -30.568 1.00 0.00 N ATOM 963 CA ILE A 49 -0.198 7.993 -31.370 1.00 0.00 C ATOM 964 C ILE A 49 -0.734 8.570 -32.701 1.00 0.00 C ATOM 965 O ILE A 49 -1.237 9.694 -32.726 1.00 0.00 O ATOM 966 CB ILE A 49 -1.361 7.237 -30.600 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.788 6.380 -29.435 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.236 6.362 -31.547 1.00 0.00 C ATOM 969 CD1 ILE A 49 -1.792 5.481 -28.746 1.00 0.00 C ATOM 0 H ILE A 49 -0.111 9.966 -30.624 1.00 0.00 H new ATOM 0 HA ILE A 49 0.582 7.255 -31.559 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.013 8.005 -30.184 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.023 5.763 -29.823 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.353 7.049 -28.692 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.016 5.867 -30.968 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.694 6.995 -32.307 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.611 5.611 -32.029 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.297 4.925 -27.950 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.592 6.087 -28.322 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.211 4.782 -29.470 1.00 0.00 H new ATOM 981 N GLU A 50 -0.597 7.799 -33.803 1.00 0.00 N ATOM 982 CA GLU A 50 -1.338 8.037 -35.064 1.00 0.00 C ATOM 983 C GLU A 50 -1.663 6.699 -35.747 1.00 0.00 C ATOM 984 O GLU A 50 -0.752 5.971 -36.118 1.00 0.00 O ATOM 985 CB GLU A 50 -0.574 8.973 -36.057 1.00 0.00 C ATOM 986 CG GLU A 50 -0.919 10.465 -35.897 1.00 0.00 C ATOM 987 CD GLU A 50 -0.752 11.299 -37.174 1.00 0.00 C ATOM 988 OE1 GLU A 50 -1.343 10.935 -38.214 1.00 0.00 O ATOM 989 OE2 GLU A 50 -0.072 12.336 -37.139 1.00 0.00 O ATOM 0 H GLU A 50 0.029 6.995 -33.844 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.260 8.551 -34.793 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.498 8.841 -35.914 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.800 8.665 -37.078 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.950 10.551 -35.554 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.287 10.889 -35.116 1.00 0.00 H new ATOM 996 N ASP A 51 -2.966 6.387 -35.881 1.00 0.00 N ATOM 997 CA ASP A 51 -3.472 5.215 -36.648 1.00 0.00 C ATOM 998 C ASP A 51 -2.849 3.881 -36.144 1.00 0.00 C ATOM 999 O ASP A 51 -2.654 2.926 -36.903 1.00 0.00 O ATOM 1000 CB ASP A 51 -3.265 5.451 -38.179 1.00 0.00 C ATOM 1001 CG ASP A 51 -4.010 4.450 -39.080 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -5.229 4.253 -38.884 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -3.388 3.861 -39.990 1.00 0.00 O ATOM 0 H ASP A 51 -3.710 6.942 -35.459 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.544 5.116 -36.475 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.594 6.460 -38.427 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.199 5.399 -38.402 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.547 3.835 -34.833 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.058 2.620 -34.175 1.00 0.00 C ATOM 1010 C GLY A 52 -0.550 2.397 -34.255 1.00 0.00 C ATOM 1011 O GLY A 52 -0.077 1.331 -33.855 1.00 0.00 O ATOM 0 H GLY A 52 -2.636 4.636 -34.208 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.349 2.653 -33.125 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.560 1.760 -34.618 1.00 0.00 H new ATOM 1015 N GLU A 53 0.205 3.369 -34.789 1.00 0.00 N ATOM 1016 CA GLU A 53 1.680 3.419 -34.639 1.00 0.00 C ATOM 1017 C GLU A 53 2.039 4.541 -33.655 1.00 0.00 C ATOM 1018 O GLU A 53 1.140 5.157 -33.063 1.00 0.00 O ATOM 1019 CB GLU A 53 2.408 3.650 -35.989 1.00 0.00 C ATOM 1020 CG GLU A 53 2.030 4.968 -36.681 1.00 0.00 C ATOM 1021 CD GLU A 53 3.022 5.418 -37.765 1.00 0.00 C ATOM 1022 OE1 GLU A 53 2.939 4.910 -38.905 1.00 0.00 O ATOM 1023 OE2 GLU A 53 3.887 6.281 -37.480 1.00 0.00 O ATOM 0 H GLU A 53 -0.179 4.140 -35.334 1.00 0.00 H new ATOM 0 HA GLU A 53 2.013 2.452 -34.261 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.484 3.637 -35.817 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.182 2.821 -36.659 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.043 4.859 -37.130 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.953 5.752 -35.927 1.00 0.00 H new ATOM 1030 N VAL A 54 3.356 4.803 -33.484 1.00 0.00 N ATOM 1031 CA VAL A 54 3.820 5.838 -32.552 1.00 0.00 C ATOM 1032 C VAL A 54 3.363 7.255 -32.979 1.00 0.00 C ATOM 1033 O VAL A 54 2.690 7.874 -32.211 1.00 0.00 O ATOM 1034 CB VAL A 54 5.381 5.798 -32.327 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.768 4.540 -31.524 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.182 5.883 -33.659 1.00 0.00 C ATOM 0 H VAL A 54 4.103 4.314 -33.977 1.00 0.00 H new ATOM 0 HA VAL A 54 3.349 5.608 -31.596 1.00 0.00 H new ATOM 0 HB VAL A 54 5.651 6.684 -31.752 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.847 4.522 -31.374 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.267 4.558 -30.556 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.463 3.649 -32.074 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.250 5.851 -33.444 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.915 5.041 -34.298 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.942 6.816 -34.169 1.00 0.00 H new ATOM 1046 N LYS A 55 3.679 7.693 -34.223 1.00 0.00 N ATOM 1047 CA LYS A 55 3.354 9.054 -34.771 1.00 0.00 C ATOM 1048 C LYS A 55 4.450 9.420 -35.789 1.00 0.00 C ATOM 1049 O LYS A 55 5.641 9.238 -35.509 1.00 0.00 O ATOM 1050 CB LYS A 55 3.218 10.184 -33.664 1.00 0.00 C ATOM 1051 CG LYS A 55 3.483 11.663 -34.062 1.00 0.00 C ATOM 1052 CD LYS A 55 2.316 12.391 -34.767 1.00 0.00 C ATOM 1053 CE LYS A 55 1.150 12.742 -33.832 1.00 0.00 C ATOM 1054 NZ LYS A 55 0.160 13.631 -34.507 1.00 0.00 N ATOM 0 H LYS A 55 4.176 7.107 -34.894 1.00 0.00 H new ATOM 0 HA LYS A 55 2.371 9.003 -35.239 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.208 10.128 -33.259 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.901 9.934 -32.852 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.743 12.220 -33.162 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.353 11.692 -34.718 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.693 13.307 -35.222 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.944 11.763 -35.576 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.656 11.827 -33.505 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.534 13.234 -32.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.729 13.632 -33.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.538 14.599 -34.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.019 13.282 -35.470 1.00 0.00 H new ATOM 1068 N PRO A 56 4.068 9.907 -37.000 1.00 0.00 N ATOM 1069 CA PRO A 56 5.017 10.570 -37.937 1.00 0.00 C ATOM 1070 C PRO A 56 5.640 11.840 -37.312 1.00 0.00 C ATOM 1071 O PRO A 56 4.954 12.595 -36.622 1.00 0.00 O ATOM 1072 CB PRO A 56 4.120 10.933 -39.158 1.00 0.00 C ATOM 1073 CG PRO A 56 2.725 10.907 -38.619 1.00 0.00 C ATOM 1074 CD PRO A 56 2.713 9.818 -37.587 1.00 0.00 C ATOM 0 HA PRO A 56 5.863 9.934 -38.198 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.373 11.915 -39.558 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.245 10.216 -39.970 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.457 11.867 -38.179 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.003 10.706 -39.410 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.937 9.979 -36.839 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.529 8.841 -38.033 1.00 0.00 H new ATOM 1082 N HIS A 57 6.941 12.049 -37.569 1.00 0.00 N ATOM 1083 CA HIS A 57 7.739 13.231 -37.112 1.00 0.00 C ATOM 1084 C HIS A 57 8.213 13.125 -35.641 1.00 0.00 C ATOM 1085 O HIS A 57 9.166 13.823 -35.258 1.00 0.00 O ATOM 1086 CB HIS A 57 7.022 14.602 -37.330 1.00 0.00 C ATOM 1087 CG HIS A 57 6.417 14.814 -38.703 1.00 0.00 C ATOM 1088 ND1 HIS A 57 7.161 15.011 -39.844 1.00 0.00 N ATOM 1089 CD2 HIS A 57 5.116 14.874 -39.098 1.00 0.00 C ATOM 1090 CE1 HIS A 57 6.354 15.178 -40.873 1.00 0.00 C ATOM 1091 NE2 HIS A 57 5.108 15.101 -40.450 1.00 0.00 N ATOM 0 H HIS A 57 7.496 11.390 -38.115 1.00 0.00 H new ATOM 0 HA HIS A 57 8.617 13.206 -37.758 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.232 14.701 -36.585 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.739 15.401 -37.142 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.249 14.763 -38.463 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.663 15.350 -41.894 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.276 15.195 -41.032 1.00 0.00 H new ATOM 1100 N VAL A 58 7.544 12.286 -34.816 1.00 0.00 N ATOM 1101 CA VAL A 58 7.901 12.115 -33.383 1.00 0.00 C ATOM 1102 C VAL A 58 9.211 11.320 -33.278 1.00 0.00 C ATOM 1103 O VAL A 58 9.536 10.544 -34.182 1.00 0.00 O ATOM 1104 CB VAL A 58 6.742 11.415 -32.545 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.794 9.865 -32.581 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.701 11.926 -31.087 1.00 0.00 C ATOM 0 H VAL A 58 6.753 11.716 -35.116 1.00 0.00 H new ATOM 0 HA VAL A 58 8.036 13.106 -32.949 1.00 0.00 H new ATOM 0 HB VAL A 58 5.816 11.704 -33.042 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.974 9.460 -31.988 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.701 9.522 -33.611 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.743 9.523 -32.169 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.897 11.425 -30.548 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.652 11.713 -30.600 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.524 13.002 -31.083 1.00 0.00 H new ATOM 1116 N ASN A 59 9.972 11.534 -32.200 1.00 0.00 N ATOM 1117 CA ASN A 59 11.215 10.798 -31.943 1.00 0.00 C ATOM 1118 C ASN A 59 11.063 10.058 -30.616 1.00 0.00 C ATOM 1119 O ASN A 59 11.147 10.662 -29.554 1.00 0.00 O ATOM 1120 CB ASN A 59 12.410 11.787 -31.898 1.00 0.00 C ATOM 1121 CG ASN A 59 12.627 12.539 -33.211 1.00 0.00 C ATOM 1122 OD1 ASN A 59 13.478 12.002 -34.078 1.00 0.00 O flip ATOM 1123 ND2 ASN A 59 12.032 13.599 -33.443 1.00 0.00 N flip ATOM 0 H ASN A 59 9.744 12.221 -31.482 1.00 0.00 H new ATOM 0 HA ASN A 59 11.409 10.078 -32.738 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.245 12.509 -31.098 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.318 11.237 -31.649 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.385 13.982 -32.754 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.188 14.089 -34.324 1.00 0.00 H new ATOM 1130 N VAL A 60 10.839 8.744 -30.679 1.00 0.00 N ATOM 1131 CA VAL A 60 10.665 7.891 -29.489 1.00 0.00 C ATOM 1132 C VAL A 60 11.771 6.835 -29.450 1.00 0.00 C ATOM 1133 O VAL A 60 12.066 6.198 -30.457 1.00 0.00 O ATOM 1134 CB VAL A 60 9.243 7.212 -29.422 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.174 8.210 -28.890 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.814 6.641 -30.795 1.00 0.00 C ATOM 0 H VAL A 60 10.772 8.233 -31.559 1.00 0.00 H new ATOM 0 HA VAL A 60 10.737 8.534 -28.612 1.00 0.00 H new ATOM 0 HB VAL A 60 9.317 6.378 -28.724 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.202 7.717 -28.853 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.451 8.541 -27.889 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.119 9.072 -29.554 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.829 6.182 -30.707 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.774 7.447 -31.528 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.536 5.891 -31.119 1.00 0.00 H new ATOM 1146 N LEU A 61 12.395 6.705 -28.271 1.00 0.00 N ATOM 1147 CA LEU A 61 13.611 5.916 -28.047 1.00 0.00 C ATOM 1148 C LEU A 61 13.366 4.828 -26.992 1.00 0.00 C ATOM 1149 O LEU A 61 12.831 5.096 -25.919 1.00 0.00 O ATOM 1150 CB LEU A 61 14.790 6.832 -27.586 1.00 0.00 C ATOM 1151 CG LEU A 61 15.369 7.844 -28.634 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.406 8.993 -28.952 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.761 8.378 -28.208 1.00 0.00 C ATOM 0 H LEU A 61 12.056 7.160 -27.423 1.00 0.00 H new ATOM 0 HA LEU A 61 13.878 5.443 -28.992 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.456 7.400 -26.718 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.605 6.190 -27.252 1.00 0.00 H new ATOM 0 HG LEU A 61 15.495 7.280 -29.558 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.864 9.659 -29.683 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.479 8.589 -29.359 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.189 9.549 -28.040 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.129 9.076 -28.960 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.677 8.889 -27.249 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.458 7.545 -28.115 1.00 0.00 H new ATOM 1165 N LYS A 62 13.767 3.601 -27.310 1.00 0.00 N ATOM 1166 CA LYS A 62 13.793 2.476 -26.373 1.00 0.00 C ATOM 1167 C LYS A 62 15.249 2.192 -25.970 1.00 0.00 C ATOM 1168 O LYS A 62 16.047 1.759 -26.808 1.00 0.00 O ATOM 1169 CB LYS A 62 13.147 1.237 -27.036 1.00 0.00 C ATOM 1170 CG LYS A 62 13.423 -0.103 -26.348 1.00 0.00 C ATOM 1171 CD LYS A 62 12.859 -0.195 -24.921 1.00 0.00 C ATOM 1172 CE LYS A 62 13.677 -1.146 -24.048 1.00 0.00 C ATOM 1173 NZ LYS A 62 13.968 -2.449 -24.698 1.00 0.00 N ATOM 0 H LYS A 62 14.090 3.353 -28.245 1.00 0.00 H new ATOM 0 HA LYS A 62 13.224 2.718 -25.476 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.068 1.389 -27.075 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.497 1.175 -28.066 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.996 -0.905 -26.950 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.500 -0.269 -26.315 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.850 0.797 -24.469 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.825 -0.536 -24.960 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.618 -0.664 -23.783 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.138 -1.326 -23.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.732 -3.223 -24.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.398 -2.540 -25.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.978 -2.498 -24.942 1.00 0.00 H new ATOM 1187 N ASN A 63 15.571 2.463 -24.690 1.00 0.00 N ATOM 1188 CA ASN A 63 16.920 2.264 -24.099 1.00 0.00 C ATOM 1189 C ASN A 63 17.990 3.069 -24.894 1.00 0.00 C ATOM 1190 O ASN A 63 19.150 2.662 -25.018 1.00 0.00 O ATOM 1191 CB ASN A 63 17.239 0.726 -24.029 1.00 0.00 C ATOM 1192 CG ASN A 63 18.456 0.357 -23.164 1.00 0.00 C ATOM 1193 OD1 ASN A 63 18.775 1.046 -22.197 1.00 0.00 O ATOM 1194 ND2 ASN A 63 19.132 -0.739 -23.497 1.00 0.00 N ATOM 0 H ASN A 63 14.894 2.832 -24.022 1.00 0.00 H new ATOM 0 HA ASN A 63 16.941 2.650 -23.080 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.364 0.205 -23.640 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.406 0.358 -25.041 1.00 0.00 H new ATOM 0 HD21 ASN A 63 19.939 -1.028 -22.944 1.00 0.00 H new ATOM 0 HD22 ASN A 63 18.843 -1.291 -24.305 1.00 0.00 H new ATOM 1201 N GLY A 64 17.571 4.255 -25.389 1.00 0.00 N ATOM 1202 CA GLY A 64 18.449 5.151 -26.154 1.00 0.00 C ATOM 1203 C GLY A 64 18.489 4.864 -27.667 1.00 0.00 C ATOM 1204 O GLY A 64 19.130 5.608 -28.417 1.00 0.00 O ATOM 0 H GLY A 64 16.623 4.610 -25.268 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.121 6.179 -26.000 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.461 5.076 -25.755 1.00 0.00 H new ATOM 1208 N ARG A 65 17.805 3.785 -28.112 1.00 0.00 N ATOM 1209 CA ARG A 65 17.714 3.392 -29.543 1.00 0.00 C ATOM 1210 C ARG A 65 16.341 3.813 -30.096 1.00 0.00 C ATOM 1211 O ARG A 65 15.321 3.272 -29.675 1.00 0.00 O ATOM 1212 CB ARG A 65 17.906 1.854 -29.702 1.00 0.00 C ATOM 1213 CG ARG A 65 17.997 1.367 -31.171 1.00 0.00 C ATOM 1214 CD ARG A 65 19.333 1.738 -31.847 1.00 0.00 C ATOM 1215 NE ARG A 65 20.497 1.158 -31.156 1.00 0.00 N ATOM 1216 CZ ARG A 65 21.767 1.205 -31.591 1.00 0.00 C ATOM 1217 NH1 ARG A 65 22.090 1.799 -32.738 1.00 0.00 N ATOM 1218 NH2 ARG A 65 22.727 0.684 -30.845 1.00 0.00 N ATOM 0 H ARG A 65 17.297 3.158 -27.488 1.00 0.00 H new ATOM 0 HA ARG A 65 18.504 3.893 -30.102 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.814 1.558 -29.177 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.075 1.344 -29.214 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.871 0.285 -31.198 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.175 1.798 -31.742 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.321 1.394 -32.881 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.434 2.823 -31.873 1.00 0.00 H new ATOM 0 HE ARG A 65 20.324 0.680 -30.272 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.365 2.233 -33.310 1.00 0.00 H new ATOM 0 HH12 ARG A 65 23.062 1.820 -33.045 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.499 0.252 -29.949 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.695 0.714 -31.165 1.00 0.00 H new ATOM 1232 N GLU A 66 16.327 4.761 -31.045 1.00 0.00 N ATOM 1233 CA GLU A 66 15.090 5.399 -31.537 1.00 0.00 C ATOM 1234 C GLU A 66 14.243 4.409 -32.385 1.00 0.00 C ATOM 1235 O GLU A 66 14.629 4.033 -33.495 1.00 0.00 O ATOM 1236 CB GLU A 66 15.455 6.688 -32.324 1.00 0.00 C ATOM 1237 CG GLU A 66 14.360 7.768 -32.360 1.00 0.00 C ATOM 1238 CD GLU A 66 14.808 9.033 -33.108 1.00 0.00 C ATOM 1239 OE1 GLU A 66 14.727 9.068 -34.348 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.265 9.992 -32.459 1.00 0.00 O ATOM 0 H GLU A 66 17.173 5.110 -31.496 1.00 0.00 H new ATOM 0 HA GLU A 66 14.467 5.682 -30.689 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.354 7.120 -31.885 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.703 6.411 -33.349 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.469 7.362 -32.839 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.081 8.032 -31.340 1.00 0.00 H new ATOM 1247 N VAL A 67 13.086 3.995 -31.830 1.00 0.00 N ATOM 1248 CA VAL A 67 12.215 2.940 -32.400 1.00 0.00 C ATOM 1249 C VAL A 67 11.362 3.402 -33.598 1.00 0.00 C ATOM 1250 O VAL A 67 10.620 2.597 -34.157 1.00 0.00 O ATOM 1251 CB VAL A 67 11.296 2.300 -31.307 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.141 1.569 -30.256 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.366 3.347 -30.647 1.00 0.00 C ATOM 0 H VAL A 67 12.723 4.388 -30.961 1.00 0.00 H new ATOM 0 HA VAL A 67 12.905 2.188 -32.782 1.00 0.00 H new ATOM 0 HB VAL A 67 10.653 1.572 -31.801 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.486 1.130 -29.504 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.719 0.781 -30.738 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.819 2.276 -29.778 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.746 2.860 -29.895 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.969 4.122 -30.174 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.728 3.797 -31.407 1.00 0.00 H new ATOM 1263 N VAL A 68 11.459 4.684 -33.987 1.00 0.00 N ATOM 1264 CA VAL A 68 10.799 5.191 -35.218 1.00 0.00 C ATOM 1265 C VAL A 68 11.447 4.600 -36.495 1.00 0.00 C ATOM 1266 O VAL A 68 10.851 4.627 -37.577 1.00 0.00 O ATOM 1267 CB VAL A 68 10.836 6.760 -35.297 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.174 7.385 -34.053 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.280 7.288 -35.498 1.00 0.00 C ATOM 0 H VAL A 68 11.984 5.392 -33.474 1.00 0.00 H new ATOM 0 HA VAL A 68 9.760 4.867 -35.164 1.00 0.00 H new ATOM 0 HB VAL A 68 10.261 7.064 -36.172 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.211 8.472 -34.129 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.135 7.060 -33.992 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.707 7.065 -33.158 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.266 8.377 -35.548 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.903 6.971 -34.661 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.688 6.888 -36.426 1.00 0.00 H new ATOM 1279 N HIS A 69 12.692 4.095 -36.343 1.00 0.00 N ATOM 1280 CA HIS A 69 13.477 3.489 -37.441 1.00 0.00 C ATOM 1281 C HIS A 69 13.122 1.992 -37.615 1.00 0.00 C ATOM 1282 O HIS A 69 13.447 1.379 -38.640 1.00 0.00 O ATOM 1283 CB HIS A 69 15.000 3.646 -37.155 1.00 0.00 C ATOM 1284 CG HIS A 69 15.430 5.059 -36.839 1.00 0.00 C ATOM 1285 ND1 HIS A 69 15.273 6.116 -37.711 1.00 0.00 N ATOM 1286 CD2 HIS A 69 15.994 5.585 -35.730 1.00 0.00 C ATOM 1287 CE1 HIS A 69 15.714 7.227 -37.145 1.00 0.00 C ATOM 1288 NE2 HIS A 69 16.157 6.933 -35.942 1.00 0.00 N ATOM 0 H HIS A 69 13.183 4.097 -35.449 1.00 0.00 H new ATOM 0 HA HIS A 69 13.229 4.008 -38.367 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.269 3.001 -36.319 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.559 3.294 -38.022 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.268 5.043 -34.837 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.711 8.209 -37.594 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.555 7.596 -35.277 1.00 0.00 H new ATOM 1297 N LEU A 70 12.467 1.421 -36.583 1.00 0.00 N ATOM 1298 CA LEU A 70 12.068 -0.001 -36.531 1.00 0.00 C ATOM 1299 C LEU A 70 10.644 -0.111 -35.947 1.00 0.00 C ATOM 1300 O LEU A 70 9.827 0.799 -36.142 1.00 0.00 O ATOM 1301 CB LEU A 70 13.118 -0.859 -35.730 1.00 0.00 C ATOM 1302 CG LEU A 70 13.454 -0.430 -34.248 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.024 -1.612 -33.421 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.442 0.755 -34.219 1.00 0.00 C ATOM 0 H LEU A 70 12.196 1.943 -35.750 1.00 0.00 H new ATOM 0 HA LEU A 70 12.052 -0.411 -37.541 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.759 -1.888 -35.706 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.049 -0.860 -36.296 1.00 0.00 H new ATOM 0 HG LEU A 70 12.515 -0.116 -33.791 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.242 -1.275 -32.408 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.291 -2.418 -33.386 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.940 -1.974 -33.888 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.654 1.027 -33.185 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.369 0.468 -34.716 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.002 1.608 -34.736 1.00 0.00 H new ATOM 1316 N ASP A 71 10.324 -1.253 -35.310 1.00 0.00 N ATOM 1317 CA ASP A 71 9.052 -1.441 -34.594 1.00 0.00 C ATOM 1318 C ASP A 71 8.927 -0.427 -33.435 1.00 0.00 C ATOM 1319 O ASP A 71 9.631 -0.540 -32.424 1.00 0.00 O ATOM 1320 CB ASP A 71 8.965 -2.886 -34.043 1.00 0.00 C ATOM 1321 CG ASP A 71 8.796 -3.942 -35.143 1.00 0.00 C ATOM 1322 OD1 ASP A 71 9.793 -4.279 -35.817 1.00 0.00 O ATOM 1323 OD2 ASP A 71 7.672 -4.447 -35.343 1.00 0.00 O ATOM 0 H ASP A 71 10.938 -2.067 -35.278 1.00 0.00 H new ATOM 0 HA ASP A 71 8.232 -1.273 -35.292 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.868 -3.106 -33.473 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.126 -2.954 -33.351 1.00 0.00 H new ATOM 1328 N GLY A 72 8.036 0.561 -33.608 1.00 0.00 N ATOM 1329 CA GLY A 72 7.789 1.582 -32.586 1.00 0.00 C ATOM 1330 C GLY A 72 6.741 1.158 -31.572 1.00 0.00 C ATOM 1331 O GLY A 72 6.747 1.626 -30.433 1.00 0.00 O ATOM 0 H GLY A 72 7.473 0.672 -34.452 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.722 1.803 -32.067 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.467 2.504 -33.070 1.00 0.00 H new ATOM 1335 N MET A 73 5.803 0.310 -32.010 1.00 0.00 N ATOM 1336 CA MET A 73 4.718 -0.213 -31.160 1.00 0.00 C ATOM 1337 C MET A 73 5.184 -1.389 -30.282 1.00 0.00 C ATOM 1338 O MET A 73 4.781 -1.484 -29.124 1.00 0.00 O ATOM 1339 CB MET A 73 3.478 -0.584 -32.032 1.00 0.00 C ATOM 1340 CG MET A 73 2.481 0.573 -32.189 1.00 0.00 C ATOM 1341 SD MET A 73 1.536 0.825 -30.665 1.00 0.00 S ATOM 1342 CE MET A 73 0.966 2.514 -30.821 1.00 0.00 C ATOM 0 H MET A 73 5.772 -0.037 -32.969 1.00 0.00 H new ATOM 0 HA MET A 73 4.420 0.576 -30.470 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.817 -0.899 -33.019 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.968 -1.436 -31.583 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.017 1.487 -32.445 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.800 0.362 -33.013 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.645 2.881 -29.846 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.777 3.139 -31.195 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.128 2.552 -31.517 1.00 0.00 H new ATOM 1352 N ALA A 74 6.046 -2.266 -30.823 1.00 0.00 N ATOM 1353 CA ALA A 74 6.555 -3.437 -30.070 1.00 0.00 C ATOM 1354 C ALA A 74 7.936 -3.899 -30.587 1.00 0.00 C ATOM 1355 O ALA A 74 8.026 -4.766 -31.463 1.00 0.00 O ATOM 1356 CB ALA A 74 5.528 -4.582 -30.118 1.00 0.00 C ATOM 0 H ALA A 74 6.407 -2.192 -31.774 1.00 0.00 H new ATOM 0 HA ALA A 74 6.694 -3.136 -29.032 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.911 -5.438 -29.562 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.591 -4.249 -29.672 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.354 -4.871 -31.154 1.00 0.00 H new ATOM 1362 N THR A 75 9.000 -3.263 -30.066 1.00 0.00 N ATOM 1363 CA THR A 75 10.395 -3.636 -30.358 1.00 0.00 C ATOM 1364 C THR A 75 10.885 -4.837 -29.479 1.00 0.00 C ATOM 1365 O THR A 75 11.002 -5.962 -29.977 1.00 0.00 O ATOM 1366 CB THR A 75 11.352 -2.386 -30.240 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.727 -2.785 -30.355 1.00 0.00 O ATOM 1368 CG2 THR A 75 11.152 -1.589 -28.934 1.00 0.00 C ATOM 0 H THR A 75 8.916 -2.472 -29.428 1.00 0.00 H new ATOM 0 HA THR A 75 10.430 -3.981 -31.391 1.00 0.00 H new ATOM 0 HB THR A 75 11.088 -1.726 -31.066 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.304 -1.996 -30.281 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.839 -0.743 -28.915 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.126 -1.224 -28.884 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.349 -2.236 -28.079 1.00 0.00 H new ATOM 1376 N ALA A 76 11.084 -4.596 -28.163 1.00 0.00 N ATOM 1377 CA ALA A 76 11.862 -5.483 -27.251 1.00 0.00 C ATOM 1378 C ALA A 76 11.885 -4.893 -25.825 1.00 0.00 C ATOM 1379 O ALA A 76 12.882 -5.010 -25.100 1.00 0.00 O ATOM 1380 CB ALA A 76 13.297 -5.706 -27.763 1.00 0.00 C ATOM 0 H ALA A 76 10.707 -3.773 -27.694 1.00 0.00 H new ATOM 0 HA ALA A 76 11.366 -6.453 -27.228 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.833 -6.357 -27.072 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.264 -6.171 -28.748 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.812 -4.748 -27.831 1.00 0.00 H new ATOM 1386 N LEU A 77 10.779 -4.244 -25.430 1.00 0.00 N ATOM 1387 CA LEU A 77 10.696 -3.514 -24.153 1.00 0.00 C ATOM 1388 C LEU A 77 10.584 -4.538 -23.002 1.00 0.00 C ATOM 1389 O LEU A 77 9.596 -5.251 -22.898 1.00 0.00 O ATOM 1390 CB LEU A 77 9.461 -2.553 -24.133 1.00 0.00 C ATOM 1391 CG LEU A 77 9.608 -1.213 -23.326 1.00 0.00 C ATOM 1392 CD1 LEU A 77 8.242 -0.569 -23.070 1.00 0.00 C ATOM 1393 CD2 LEU A 77 10.395 -1.378 -22.010 1.00 0.00 C ATOM 0 H LEU A 77 9.922 -4.209 -25.982 1.00 0.00 H new ATOM 0 HA LEU A 77 11.593 -2.907 -24.032 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.212 -2.301 -25.164 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.612 -3.102 -23.725 1.00 0.00 H new ATOM 0 HG LEU A 77 10.197 -0.544 -23.954 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.375 0.356 -22.510 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.759 -0.350 -24.022 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.619 -1.254 -22.496 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.460 -0.416 -21.502 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.883 -2.094 -21.367 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.399 -1.741 -22.230 1.00 0.00 H new ATOM 1405 N ASP A 78 11.612 -4.576 -22.141 1.00 0.00 N ATOM 1406 CA ASP A 78 11.685 -5.515 -21.006 1.00 0.00 C ATOM 1407 C ASP A 78 11.692 -4.748 -19.675 1.00 0.00 C ATOM 1408 O ASP A 78 11.620 -3.516 -19.661 1.00 0.00 O ATOM 1409 CB ASP A 78 12.937 -6.426 -21.156 1.00 0.00 C ATOM 1410 CG ASP A 78 12.881 -7.333 -22.396 1.00 0.00 C ATOM 1411 OD1 ASP A 78 12.012 -8.234 -22.444 1.00 0.00 O ATOM 1412 OD2 ASP A 78 13.707 -7.165 -23.321 1.00 0.00 O ATOM 0 H ASP A 78 12.419 -3.956 -22.210 1.00 0.00 H new ATOM 0 HA ASP A 78 10.802 -6.154 -21.007 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.828 -5.801 -21.211 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.036 -7.046 -20.265 1.00 0.00 H new ATOM 1417 N ASP A 79 11.751 -5.490 -18.560 1.00 0.00 N ATOM 1418 CA ASP A 79 11.665 -4.927 -17.202 1.00 0.00 C ATOM 1419 C ASP A 79 12.956 -4.185 -16.823 1.00 0.00 C ATOM 1420 O ASP A 79 14.063 -4.622 -17.168 1.00 0.00 O ATOM 1421 CB ASP A 79 11.336 -6.051 -16.176 1.00 0.00 C ATOM 1422 CG ASP A 79 12.377 -7.182 -16.119 1.00 0.00 C ATOM 1423 OD1 ASP A 79 12.389 -8.043 -17.028 1.00 0.00 O ATOM 1424 OD2 ASP A 79 13.174 -7.237 -15.155 1.00 0.00 O ATOM 0 H ASP A 79 11.860 -6.504 -18.574 1.00 0.00 H new ATOM 0 HA ASP A 79 10.857 -4.196 -17.183 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.245 -5.607 -15.185 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.365 -6.479 -16.423 1.00 0.00 H new ATOM 1429 N GLY A 80 12.789 -3.065 -16.101 1.00 0.00 N ATOM 1430 CA GLY A 80 13.903 -2.202 -15.718 1.00 0.00 C ATOM 1431 C GLY A 80 14.494 -1.382 -16.874 1.00 0.00 C ATOM 1432 O GLY A 80 15.615 -0.870 -16.757 1.00 0.00 O ATOM 0 H GLY A 80 11.881 -2.739 -15.771 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.566 -1.519 -14.938 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.691 -2.817 -15.284 1.00 0.00 H new ATOM 1436 N ASP A 81 13.736 -1.236 -17.980 1.00 0.00 N ATOM 1437 CA ASP A 81 14.187 -0.506 -19.189 1.00 0.00 C ATOM 1438 C ASP A 81 13.682 0.942 -19.201 1.00 0.00 C ATOM 1439 O ASP A 81 12.547 1.222 -18.797 1.00 0.00 O ATOM 1440 CB ASP A 81 13.752 -1.256 -20.484 1.00 0.00 C ATOM 1441 CG ASP A 81 14.808 -2.255 -20.983 1.00 0.00 C ATOM 1442 OD1 ASP A 81 15.919 -1.813 -21.365 1.00 0.00 O ATOM 1443 OD2 ASP A 81 14.539 -3.465 -21.020 1.00 0.00 O ATOM 0 H ASP A 81 12.794 -1.619 -18.063 1.00 0.00 H new ATOM 0 HA ASP A 81 15.276 -0.471 -19.161 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.819 -1.787 -20.294 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.550 -0.527 -21.269 1.00 0.00 H new ATOM 1448 N ALA A 82 14.552 1.854 -19.678 1.00 0.00 N ATOM 1449 CA ALA A 82 14.271 3.291 -19.771 1.00 0.00 C ATOM 1450 C ALA A 82 13.813 3.667 -21.198 1.00 0.00 C ATOM 1451 O ALA A 82 14.614 3.634 -22.143 1.00 0.00 O ATOM 1452 CB ALA A 82 15.523 4.099 -19.379 1.00 0.00 C ATOM 0 H ALA A 82 15.482 1.604 -20.013 1.00 0.00 H new ATOM 0 HA ALA A 82 13.464 3.533 -19.080 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.306 5.165 -19.451 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.808 3.855 -18.356 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.343 3.850 -20.053 1.00 0.00 H new ATOM 1458 N VAL A 83 12.519 4.004 -21.355 1.00 0.00 N ATOM 1459 CA VAL A 83 11.956 4.455 -22.644 1.00 0.00 C ATOM 1460 C VAL A 83 11.965 5.994 -22.681 1.00 0.00 C ATOM 1461 O VAL A 83 11.189 6.644 -21.983 1.00 0.00 O ATOM 1462 CB VAL A 83 10.488 3.927 -22.862 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.923 4.334 -24.253 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.422 2.399 -22.646 1.00 0.00 C ATOM 0 H VAL A 83 11.837 3.972 -20.597 1.00 0.00 H new ATOM 0 HA VAL A 83 12.572 4.049 -23.447 1.00 0.00 H new ATOM 0 HB VAL A 83 9.851 4.402 -22.116 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.909 3.949 -24.361 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.909 5.421 -24.336 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.554 3.918 -25.038 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.400 2.053 -22.801 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.084 1.902 -23.355 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.735 2.161 -21.629 1.00 0.00 H new ATOM 1474 N SER A 84 12.871 6.554 -23.484 1.00 0.00 N ATOM 1475 CA SER A 84 12.969 8.004 -23.722 1.00 0.00 C ATOM 1476 C SER A 84 11.975 8.429 -24.825 1.00 0.00 C ATOM 1477 O SER A 84 11.646 7.622 -25.687 1.00 0.00 O ATOM 1478 CB SER A 84 14.423 8.337 -24.121 1.00 0.00 C ATOM 1479 OG SER A 84 15.330 8.005 -23.072 1.00 0.00 O ATOM 0 H SER A 84 13.567 6.012 -23.995 1.00 0.00 H new ATOM 0 HA SER A 84 12.711 8.555 -22.817 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.690 7.789 -25.025 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.505 9.398 -24.356 1.00 0.00 H new ATOM 0 HG SER A 84 16.244 8.223 -23.349 1.00 0.00 H new ATOM 1485 N VAL A 85 11.470 9.679 -24.783 1.00 0.00 N ATOM 1486 CA VAL A 85 10.527 10.213 -25.792 1.00 0.00 C ATOM 1487 C VAL A 85 10.823 11.707 -26.033 1.00 0.00 C ATOM 1488 O VAL A 85 11.225 12.440 -25.119 1.00 0.00 O ATOM 1489 CB VAL A 85 8.995 10.039 -25.410 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.595 8.558 -25.164 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.622 10.917 -24.209 1.00 0.00 C ATOM 0 H VAL A 85 11.703 10.348 -24.049 1.00 0.00 H new ATOM 0 HA VAL A 85 10.687 9.625 -26.695 1.00 0.00 H new ATOM 0 HB VAL A 85 8.423 10.374 -26.275 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.537 8.505 -24.907 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.779 7.977 -26.068 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.188 8.152 -24.345 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.568 10.778 -23.970 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.230 10.635 -23.349 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.803 11.964 -24.453 1.00 0.00 H new ATOM 1501 N PHE A 86 10.629 12.130 -27.277 1.00 0.00 N ATOM 1502 CA PHE A 86 10.805 13.514 -27.738 1.00 0.00 C ATOM 1503 C PHE A 86 9.602 13.822 -28.672 1.00 0.00 C ATOM 1504 O PHE A 86 9.266 12.976 -29.506 1.00 0.00 O ATOM 1505 CB PHE A 86 12.125 13.704 -28.555 1.00 0.00 C ATOM 1506 CG PHE A 86 13.439 13.348 -27.857 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.777 12.024 -27.609 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.358 14.334 -27.479 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.971 11.690 -27.003 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.561 13.991 -26.877 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.860 12.665 -26.640 1.00 0.00 C ATOM 0 H PHE A 86 10.334 11.501 -28.024 1.00 0.00 H new ATOM 0 HA PHE A 86 10.858 14.177 -26.875 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.051 13.103 -29.461 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.181 14.747 -28.868 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.092 11.240 -27.896 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.128 15.374 -27.658 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.205 10.653 -26.814 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.263 14.762 -26.594 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.794 12.397 -26.169 1.00 0.00 H new ATOM 1521 N PRO A 87 8.935 15.007 -28.546 1.00 0.00 N ATOM 1522 CA PRO A 87 7.798 15.425 -29.427 1.00 0.00 C ATOM 1523 C PRO A 87 8.183 15.548 -30.926 1.00 0.00 C ATOM 1524 O PRO A 87 9.374 15.568 -31.267 1.00 0.00 O ATOM 1525 CB PRO A 87 7.378 16.809 -28.837 1.00 0.00 C ATOM 1526 CG PRO A 87 8.574 17.262 -28.086 1.00 0.00 C ATOM 1527 CD PRO A 87 9.190 16.016 -27.511 1.00 0.00 C ATOM 0 HA PRO A 87 7.000 14.683 -29.427 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.112 17.514 -29.625 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.509 16.717 -28.185 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.275 17.779 -28.741 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.299 17.963 -27.297 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.257 16.143 -27.326 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.732 15.742 -26.560 1.00 0.00 H new ATOM 1535 N PRO A 88 7.161 15.627 -31.847 1.00 0.00 N ATOM 1536 CA PRO A 88 7.406 15.783 -33.301 1.00 0.00 C ATOM 1537 C PRO A 88 8.104 17.119 -33.643 1.00 0.00 C ATOM 1538 O PRO A 88 7.684 18.190 -33.185 1.00 0.00 O ATOM 1539 CB PRO A 88 5.986 15.683 -33.920 1.00 0.00 C ATOM 1540 CG PRO A 88 5.064 16.077 -32.813 1.00 0.00 C ATOM 1541 CD PRO A 88 5.698 15.550 -31.551 1.00 0.00 C ATOM 0 HA PRO A 88 8.088 15.029 -33.693 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.880 16.346 -34.779 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.776 14.672 -34.270 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.944 17.160 -32.769 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.071 15.652 -32.960 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.430 16.153 -30.683 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.383 14.528 -31.338 1.00 0.00 H new