USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 461 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 38 LYS NZ :NH3+ -169:sc= 1.26 (180deg=-0.519) USER MOD Set 1.2: A 53 CYS SG : rot 77:sc= 1.23 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-11!) USER MOD Set 2.2: A 30 ASN : amide:sc= 0.0136 X(o=-1.8,f=-2) USER MOD Single : A 14 LYS NZ :NH3+ 138:sc= -0.0796 (180deg=-0.549) USER MOD Single : A 16 SER OG : rot -30:sc= 0.287 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.313 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 42 SER OG : rot -19:sc= 0.196 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 44 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.2!) USER MOD Single : A 45 THR OG1 : rot -101:sc= 0.881 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.812 K(o=0.81,f=-5.3!) USER MOD Single : A 54 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.3!) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 12 9.426 5.861 -1.348 1.00 0.00 N ATOM 175 CA LEU A 12 8.368 6.747 -0.794 1.00 0.00 C ATOM 176 C LEU A 12 8.505 6.841 0.736 1.00 0.00 C ATOM 177 O LEU A 12 8.934 5.905 1.383 1.00 0.00 O ATOM 178 CB LEU A 12 6.983 6.196 -1.159 1.00 0.00 C ATOM 179 CG LEU A 12 6.976 5.738 -2.621 1.00 0.00 C ATOM 180 CD1 LEU A 12 5.542 5.418 -3.046 1.00 0.00 C ATOM 181 CD2 LEU A 12 7.534 6.848 -3.519 1.00 0.00 C ATOM 0 HA LEU A 12 8.482 7.743 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.730 5.361 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.224 6.963 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 12 7.598 4.848 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.535 5.092 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.144 4.624 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.924 6.310 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.526 6.515 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.917 7.741 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.557 7.078 -3.220 1.00 0.00 H new ATOM 193 N PRO A 13 8.133 7.961 1.313 1.00 0.00 N ATOM 194 CA PRO A 13 8.216 8.177 2.785 1.00 0.00 C ATOM 195 C PRO A 13 7.805 6.941 3.598 1.00 0.00 C ATOM 196 O PRO A 13 6.887 6.220 3.256 1.00 0.00 O ATOM 197 CB PRO A 13 7.240 9.339 3.025 1.00 0.00 C ATOM 198 CG PRO A 13 7.265 10.136 1.756 1.00 0.00 C ATOM 199 CD PRO A 13 7.615 9.160 0.627 1.00 0.00 C ATOM 0 HA PRO A 13 9.237 8.383 3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.236 8.973 3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.549 9.944 3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.298 10.605 1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.002 10.937 1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.739 8.923 0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.361 9.584 -0.046 1.00 0.00 H new ATOM 207 N LYS A 14 8.502 6.705 4.676 1.00 0.00 N ATOM 208 CA LYS A 14 8.203 5.528 5.540 1.00 0.00 C ATOM 209 C LYS A 14 6.801 5.661 6.141 1.00 0.00 C ATOM 210 O LYS A 14 6.125 4.683 6.394 1.00 0.00 O ATOM 211 CB LYS A 14 9.234 5.465 6.675 1.00 0.00 C ATOM 212 CG LYS A 14 9.128 6.721 7.553 1.00 0.00 C ATOM 213 CD LYS A 14 10.229 6.691 8.618 1.00 0.00 C ATOM 214 CE LYS A 14 10.145 7.953 9.480 1.00 0.00 C ATOM 215 NZ LYS A 14 8.839 7.976 10.199 1.00 0.00 N ATOM 0 H LYS A 14 9.276 7.286 4.999 1.00 0.00 H new ATOM 0 HA LYS A 14 8.250 4.620 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.067 4.574 7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.239 5.385 6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.225 7.617 6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.148 6.764 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.121 5.804 9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.208 6.628 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.967 7.973 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.244 8.841 8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.988 8.290 11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.191 8.633 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.426 7.021 10.200 1.00 0.00 H new ATOM 229 N GLU A 15 6.368 6.868 6.383 1.00 0.00 N ATOM 230 CA GLU A 15 5.017 7.075 6.982 1.00 0.00 C ATOM 231 C GLU A 15 3.937 6.562 6.027 1.00 0.00 C ATOM 232 O GLU A 15 3.056 5.817 6.410 1.00 0.00 O ATOM 233 CB GLU A 15 4.803 8.571 7.234 1.00 0.00 C ATOM 234 CG GLU A 15 5.739 9.039 8.350 1.00 0.00 C ATOM 235 CD GLU A 15 5.599 10.551 8.552 1.00 0.00 C ATOM 236 OE1 GLU A 15 4.824 11.159 7.833 1.00 0.00 O ATOM 237 OE2 GLU A 15 6.272 11.076 9.425 1.00 0.00 O ATOM 0 H GLU A 15 6.892 7.722 6.192 1.00 0.00 H new ATOM 0 HA GLU A 15 4.952 6.527 7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.996 9.136 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.766 8.759 7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.503 8.517 9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.770 8.791 8.099 1.00 0.00 H new ATOM 244 N SER A 16 4.000 6.956 4.783 1.00 0.00 N ATOM 245 CA SER A 16 2.979 6.493 3.796 1.00 0.00 C ATOM 246 C SER A 16 3.143 4.991 3.550 1.00 0.00 C ATOM 247 O SER A 16 2.180 4.258 3.422 1.00 0.00 O ATOM 248 CB SER A 16 3.170 7.247 2.480 1.00 0.00 C ATOM 249 OG SER A 16 4.485 7.014 1.988 1.00 0.00 O ATOM 0 H SER A 16 4.715 7.579 4.407 1.00 0.00 H new ATOM 0 HA SER A 16 1.981 6.687 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.432 6.917 1.749 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.011 8.314 2.633 1.00 0.00 H new ATOM 0 HG SER A 16 5.093 6.859 2.741 1.00 0.00 H new ATOM 255 N VAL A 17 4.361 4.534 3.485 1.00 0.00 N ATOM 256 CA VAL A 17 4.616 3.083 3.249 1.00 0.00 C ATOM 257 C VAL A 17 4.127 2.275 4.456 1.00 0.00 C ATOM 258 O VAL A 17 3.535 1.222 4.319 1.00 0.00 O ATOM 259 CB VAL A 17 6.119 2.854 3.057 1.00 0.00 C ATOM 260 CG1 VAL A 17 6.407 1.351 2.982 1.00 0.00 C ATOM 261 CG2 VAL A 17 6.574 3.524 1.757 1.00 0.00 C ATOM 0 H VAL A 17 5.199 5.107 3.586 1.00 0.00 H new ATOM 0 HA VAL A 17 4.081 2.761 2.355 1.00 0.00 H new ATOM 0 HB VAL A 17 6.660 3.284 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.477 1.192 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.084 0.872 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.866 0.918 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.643 3.362 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.030 3.094 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.373 4.594 1.809 1.00 0.00 H new ATOM 271 N GLN A 18 4.392 2.762 5.638 1.00 0.00 N ATOM 272 CA GLN A 18 3.967 2.035 6.868 1.00 0.00 C ATOM 273 C GLN A 18 2.437 1.963 6.934 1.00 0.00 C ATOM 274 O GLN A 18 1.864 0.937 7.246 1.00 0.00 O ATOM 275 CB GLN A 18 4.483 2.786 8.098 1.00 0.00 C ATOM 276 CG GLN A 18 4.180 1.973 9.360 1.00 0.00 C ATOM 277 CD GLN A 18 4.692 2.720 10.593 1.00 0.00 C ATOM 278 OE1 GLN A 18 4.252 3.814 10.883 1.00 0.00 O ATOM 279 NE2 GLN A 18 5.609 2.165 11.338 1.00 0.00 N ATOM 0 H GLN A 18 4.888 3.638 5.805 1.00 0.00 H new ATOM 0 HA GLN A 18 4.375 1.024 6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.556 2.954 8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.011 3.766 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.107 1.804 9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.653 0.993 9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.978 1.246 11.093 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.957 2.650 12.165 1.00 0.00 H new ATOM 288 N ILE A 19 1.774 3.050 6.646 1.00 0.00 N ATOM 289 CA ILE A 19 0.282 3.054 6.692 1.00 0.00 C ATOM 290 C ILE A 19 -0.270 2.117 5.613 1.00 0.00 C ATOM 291 O ILE A 19 -1.174 1.337 5.849 1.00 0.00 O ATOM 292 CB ILE A 19 -0.225 4.480 6.439 1.00 0.00 C ATOM 293 CG1 ILE A 19 0.164 5.374 7.620 1.00 0.00 C ATOM 294 CG2 ILE A 19 -1.749 4.466 6.291 1.00 0.00 C ATOM 295 CD1 ILE A 19 -0.077 6.843 7.261 1.00 0.00 C ATOM 0 H ILE A 19 2.201 3.937 6.380 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.054 2.711 7.671 1.00 0.00 H new ATOM 0 HB ILE A 19 0.223 4.867 5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.421 5.105 8.500 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.213 5.220 7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.106 5.480 6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.027 3.829 5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.200 4.079 7.205 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.201 7.474 8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.527 7.109 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.131 6.992 7.029 1.00 0.00 H new ATOM 307 N LEU A 20 0.275 2.190 4.431 1.00 0.00 N ATOM 308 CA LEU A 20 -0.199 1.312 3.320 1.00 0.00 C ATOM 309 C LEU A 20 0.117 -0.145 3.647 1.00 0.00 C ATOM 310 O LEU A 20 -0.672 -1.039 3.407 1.00 0.00 O ATOM 311 CB LEU A 20 0.517 1.705 2.025 1.00 0.00 C ATOM 312 CG LEU A 20 0.039 3.089 1.561 1.00 0.00 C ATOM 313 CD1 LEU A 20 0.972 3.610 0.462 1.00 0.00 C ATOM 314 CD2 LEU A 20 -1.401 3.004 1.013 1.00 0.00 C ATOM 0 H LEU A 20 1.034 2.824 4.183 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.276 1.431 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.595 1.718 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.319 0.964 1.251 1.00 0.00 H new ATOM 0 HG LEU A 20 0.054 3.770 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.633 4.592 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.986 3.688 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.961 2.920 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.726 3.993 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.428 2.317 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.068 2.642 1.796 1.00 0.00 H new ATOM 326 N ARG A 21 1.276 -0.383 4.188 1.00 0.00 N ATOM 327 CA ARG A 21 1.682 -1.774 4.535 1.00 0.00 C ATOM 328 C ARG A 21 0.768 -2.318 5.636 1.00 0.00 C ATOM 329 O ARG A 21 0.360 -3.464 5.616 1.00 0.00 O ATOM 330 CB ARG A 21 3.126 -1.768 5.040 1.00 0.00 C ATOM 331 CG ARG A 21 3.585 -3.205 5.312 1.00 0.00 C ATOM 332 CD ARG A 21 5.012 -3.201 5.862 1.00 0.00 C ATOM 333 NE ARG A 21 5.953 -2.685 4.825 1.00 0.00 N ATOM 334 CZ ARG A 21 6.445 -3.483 3.911 1.00 0.00 C ATOM 335 NH1 ARG A 21 6.124 -4.749 3.889 1.00 0.00 N ATOM 336 NH2 ARG A 21 7.266 -3.007 3.016 1.00 0.00 N ATOM 0 H ARG A 21 1.968 0.333 4.408 1.00 0.00 H new ATOM 0 HA ARG A 21 1.601 -2.405 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.778 -1.302 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.200 -1.174 5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.913 -3.682 6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.542 -3.790 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.065 -2.579 6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.300 -4.210 6.158 1.00 0.00 H new ATOM 0 HE ARG A 21 6.216 -1.699 4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.484 -5.125 4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.513 -5.361 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.521 -2.019 3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.653 -3.622 2.301 1.00 0.00 H new ATOM 350 N ASP A 22 0.461 -1.502 6.605 1.00 0.00 N ATOM 351 CA ASP A 22 -0.409 -1.957 7.731 1.00 0.00 C ATOM 352 C ASP A 22 -1.786 -2.365 7.196 1.00 0.00 C ATOM 353 O ASP A 22 -2.340 -3.377 7.583 1.00 0.00 O ATOM 354 CB ASP A 22 -0.583 -0.806 8.726 1.00 0.00 C ATOM 355 CG ASP A 22 0.713 -0.588 9.506 1.00 0.00 C ATOM 356 OD1 ASP A 22 1.555 -1.470 9.481 1.00 0.00 O ATOM 357 OD2 ASP A 22 0.841 0.458 10.123 1.00 0.00 O ATOM 0 H ASP A 22 0.776 -0.534 6.668 1.00 0.00 H new ATOM 0 HA ASP A 22 0.056 -2.812 8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.855 0.106 8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.398 -1.030 9.414 1.00 0.00 H new ATOM 362 N TRP A 23 -2.341 -1.579 6.317 1.00 0.00 N ATOM 363 CA TRP A 23 -3.687 -1.910 5.758 1.00 0.00 C ATOM 364 C TRP A 23 -3.604 -3.212 4.960 1.00 0.00 C ATOM 365 O TRP A 23 -4.415 -4.107 5.110 1.00 0.00 O ATOM 366 CB TRP A 23 -4.137 -0.783 4.828 1.00 0.00 C ATOM 367 CG TRP A 23 -5.549 -1.025 4.400 1.00 0.00 C ATOM 368 CD1 TRP A 23 -5.935 -1.393 3.156 1.00 0.00 C ATOM 369 CD2 TRP A 23 -6.766 -0.920 5.194 1.00 0.00 C ATOM 370 NE1 TRP A 23 -7.312 -1.524 3.137 1.00 0.00 N ATOM 371 CE2 TRP A 23 -7.871 -1.244 4.369 1.00 0.00 C ATOM 372 CE3 TRP A 23 -7.018 -0.582 6.536 1.00 0.00 C ATOM 373 CZ2 TRP A 23 -9.177 -1.231 4.859 1.00 0.00 C ATOM 374 CZ3 TRP A 23 -8.333 -0.568 7.030 1.00 0.00 C ATOM 375 CH2 TRP A 23 -9.408 -0.893 6.193 1.00 0.00 C ATOM 0 H TRP A 23 -1.923 -0.720 5.959 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.400 -2.026 6.574 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -4.060 0.177 5.338 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.485 -0.734 3.956 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.276 -1.557 2.316 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.849 -1.794 2.313 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.196 -0.332 7.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -10.004 -1.481 4.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.516 -0.305 8.061 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -10.416 -0.882 6.580 1.00 0.00 H new ATOM 386 N LEU A 24 -2.625 -3.313 4.107 1.00 0.00 N ATOM 387 CA LEU A 24 -2.461 -4.539 3.280 1.00 0.00 C ATOM 388 C LEU A 24 -2.149 -5.740 4.179 1.00 0.00 C ATOM 389 O LEU A 24 -2.630 -6.837 3.969 1.00 0.00 O ATOM 390 CB LEU A 24 -1.305 -4.328 2.295 1.00 0.00 C ATOM 391 CG LEU A 24 -1.077 -5.592 1.453 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.364 -5.961 0.699 1.00 0.00 C ATOM 393 CD2 LEU A 24 0.050 -5.329 0.447 1.00 0.00 C ATOM 0 H LEU A 24 -1.924 -2.590 3.946 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.385 -4.733 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.526 -3.484 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.395 -4.079 2.841 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.802 -6.418 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.193 -6.858 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.164 -6.147 1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.649 -5.139 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.217 -6.223 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.229 -4.501 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.965 -5.076 0.983 1.00 0.00 H new ATOM 405 N TYR A 25 -1.326 -5.536 5.171 1.00 0.00 N ATOM 406 CA TYR A 25 -0.948 -6.653 6.084 1.00 0.00 C ATOM 407 C TYR A 25 -2.199 -7.204 6.770 1.00 0.00 C ATOM 408 O TYR A 25 -2.405 -8.399 6.851 1.00 0.00 O ATOM 409 CB TYR A 25 0.018 -6.129 7.151 1.00 0.00 C ATOM 410 CG TYR A 25 0.337 -7.235 8.129 1.00 0.00 C ATOM 411 CD1 TYR A 25 1.380 -8.126 7.855 1.00 0.00 C ATOM 412 CD2 TYR A 25 -0.410 -7.372 9.305 1.00 0.00 C ATOM 413 CE1 TYR A 25 1.677 -9.157 8.755 1.00 0.00 C ATOM 414 CE2 TYR A 25 -0.113 -8.403 10.207 1.00 0.00 C ATOM 415 CZ TYR A 25 0.930 -9.294 9.931 1.00 0.00 C ATOM 416 OH TYR A 25 1.222 -10.310 10.819 1.00 0.00 O ATOM 0 H TYR A 25 -0.896 -4.637 5.390 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.471 -7.445 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.934 -5.768 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.426 -5.283 7.675 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.957 -8.019 6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.215 -6.684 9.517 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.481 -9.846 8.542 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.689 -8.510 11.114 1.00 0.00 H new ATOM 0 HH TYR A 25 0.610 -10.262 11.583 1.00 0.00 H new ATOM 426 N GLU A 26 -3.033 -6.335 7.271 1.00 0.00 N ATOM 427 CA GLU A 26 -4.275 -6.798 7.958 1.00 0.00 C ATOM 428 C GLU A 26 -5.163 -7.546 6.962 1.00 0.00 C ATOM 429 O GLU A 26 -5.648 -8.630 7.231 1.00 0.00 O ATOM 430 CB GLU A 26 -5.039 -5.585 8.496 1.00 0.00 C ATOM 431 CG GLU A 26 -4.256 -4.956 9.649 1.00 0.00 C ATOM 432 CD GLU A 26 -4.970 -3.690 10.133 1.00 0.00 C ATOM 433 OE1 GLU A 26 -6.025 -3.385 9.599 1.00 0.00 O ATOM 434 OE2 GLU A 26 -4.451 -3.050 11.033 1.00 0.00 O ATOM 0 H GLU A 26 -2.909 -5.323 7.235 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.007 -7.462 8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.186 -4.854 7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.029 -5.888 8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.164 -5.668 10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.245 -4.712 9.323 1.00 0.00 H new ATOM 441 N HIS A 27 -5.376 -6.973 5.812 1.00 0.00 N ATOM 442 CA HIS A 27 -6.231 -7.636 4.785 1.00 0.00 C ATOM 443 C HIS A 27 -5.436 -8.739 4.088 1.00 0.00 C ATOM 444 O HIS A 27 -5.601 -9.911 4.363 1.00 0.00 O ATOM 445 CB HIS A 27 -6.662 -6.600 3.747 1.00 0.00 C ATOM 446 CG HIS A 27 -7.666 -5.662 4.360 1.00 0.00 C ATOM 447 ND1 HIS A 27 -8.939 -6.079 4.710 1.00 0.00 N ATOM 448 CD2 HIS A 27 -7.600 -4.332 4.691 1.00 0.00 C ATOM 449 CE1 HIS A 27 -9.584 -5.017 5.227 1.00 0.00 C ATOM 450 NE2 HIS A 27 -8.813 -3.927 5.237 1.00 0.00 N ATOM 0 H HIS A 27 -4.993 -6.069 5.536 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.108 -8.068 5.268 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.795 -6.041 3.394 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.096 -7.098 2.880 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.738 -3.697 4.549 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.601 -5.043 5.590 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.061 -2.996 5.573 1.00 0.00 H new ATOM 458 N ARG A 28 -4.573 -8.359 3.186 1.00 0.00 N ATOM 459 CA ARG A 28 -3.747 -9.361 2.448 1.00 0.00 C ATOM 460 C ARG A 28 -4.651 -10.369 1.727 1.00 0.00 C ATOM 461 O ARG A 28 -4.815 -10.327 0.523 1.00 0.00 O ATOM 462 CB ARG A 28 -2.848 -10.117 3.432 1.00 0.00 C ATOM 463 CG ARG A 28 -1.781 -10.892 2.652 1.00 0.00 C ATOM 464 CD ARG A 28 -0.897 -11.681 3.626 1.00 0.00 C ATOM 465 NE ARG A 28 -0.097 -10.731 4.449 1.00 0.00 N ATOM 466 CZ ARG A 28 0.731 -11.171 5.360 1.00 0.00 C ATOM 467 NH1 ARG A 28 0.889 -12.453 5.555 1.00 0.00 N ATOM 468 NH2 ARG A 28 1.408 -10.318 6.078 1.00 0.00 N ATOM 0 H ARG A 28 -4.402 -7.388 2.925 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.136 -8.834 1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.375 -9.417 4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.444 -10.803 4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.256 -11.572 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.170 -10.202 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.515 -12.306 4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.235 -12.348 3.074 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.196 -9.727 4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.363 -13.123 4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.538 -12.784 6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.289 -9.316 5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.056 -10.653 6.791 1.00 0.00 H new ATOM 482 N TYR A 29 -5.221 -11.283 2.460 1.00 0.00 N ATOM 483 CA TYR A 29 -6.099 -12.319 1.844 1.00 0.00 C ATOM 484 C TYR A 29 -7.306 -11.663 1.160 1.00 0.00 C ATOM 485 O TYR A 29 -7.674 -12.015 0.056 1.00 0.00 O ATOM 486 CB TYR A 29 -6.603 -13.263 2.937 1.00 0.00 C ATOM 487 CG TYR A 29 -5.436 -13.984 3.572 1.00 0.00 C ATOM 488 CD1 TYR A 29 -4.911 -15.132 2.970 1.00 0.00 C ATOM 489 CD2 TYR A 29 -4.881 -13.506 4.769 1.00 0.00 C ATOM 490 CE1 TYR A 29 -3.833 -15.804 3.558 1.00 0.00 C ATOM 491 CE2 TYR A 29 -3.802 -14.179 5.358 1.00 0.00 C ATOM 492 CZ TYR A 29 -3.278 -15.327 4.752 1.00 0.00 C ATOM 493 OH TYR A 29 -2.216 -15.990 5.333 1.00 0.00 O ATOM 0 H TYR A 29 -5.115 -11.358 3.472 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.524 -12.870 1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.149 -12.699 3.694 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.301 -13.985 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.338 -15.501 2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.285 -12.620 5.236 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.429 -16.690 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.375 -13.812 6.279 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.951 -15.527 6.155 1.00 0.00 H new ATOM 503 N ASN A 30 -7.931 -10.718 1.810 1.00 0.00 N ATOM 504 CA ASN A 30 -9.119 -10.050 1.196 1.00 0.00 C ATOM 505 C ASN A 30 -8.675 -9.224 -0.014 1.00 0.00 C ATOM 506 O ASN A 30 -9.080 -9.467 -1.135 1.00 0.00 O ATOM 507 CB ASN A 30 -9.770 -9.121 2.225 1.00 0.00 C ATOM 508 CG ASN A 30 -10.156 -9.915 3.476 1.00 0.00 C ATOM 509 OD1 ASN A 30 -10.712 -10.991 3.378 1.00 0.00 O ATOM 510 ND2 ASN A 30 -9.884 -9.426 4.655 1.00 0.00 N ATOM 0 H ASN A 30 -7.673 -10.379 2.737 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.835 -10.809 0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.081 -8.320 2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.655 -8.651 1.795 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.138 -9.947 5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.417 -8.523 4.737 1.00 0.00 H new ATOM 517 N ALA A 31 -7.842 -8.249 0.219 1.00 0.00 N ATOM 518 CA ALA A 31 -7.348 -7.382 -0.891 1.00 0.00 C ATOM 519 C ALA A 31 -8.512 -6.956 -1.789 1.00 0.00 C ATOM 520 O ALA A 31 -8.950 -7.681 -2.660 1.00 0.00 O ATOM 521 CB ALA A 31 -6.301 -8.139 -1.709 1.00 0.00 C ATOM 0 H ALA A 31 -7.477 -8.012 1.142 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.892 -6.487 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.942 -7.503 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.465 -8.413 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.748 -9.041 -2.127 1.00 0.00 H new ATOM 527 N TYR A 32 -9.007 -5.768 -1.575 1.00 0.00 N ATOM 528 CA TYR A 32 -10.138 -5.259 -2.400 1.00 0.00 C ATOM 529 C TYR A 32 -10.160 -3.728 -2.338 1.00 0.00 C ATOM 530 O TYR A 32 -11.009 -3.141 -1.696 1.00 0.00 O ATOM 531 CB TYR A 32 -11.461 -5.818 -1.857 1.00 0.00 C ATOM 532 CG TYR A 32 -11.633 -7.242 -2.331 1.00 0.00 C ATOM 533 CD1 TYR A 32 -11.956 -7.494 -3.668 1.00 0.00 C ATOM 534 CD2 TYR A 32 -11.464 -8.307 -1.437 1.00 0.00 C ATOM 535 CE1 TYR A 32 -12.113 -8.812 -4.115 1.00 0.00 C ATOM 536 CE2 TYR A 32 -11.621 -9.625 -1.883 1.00 0.00 C ATOM 537 CZ TYR A 32 -11.945 -9.876 -3.222 1.00 0.00 C ATOM 538 OH TYR A 32 -12.098 -11.175 -3.661 1.00 0.00 O ATOM 0 H TYR A 32 -8.673 -5.123 -0.858 1.00 0.00 H new ATOM 0 HA TYR A 32 -10.011 -5.579 -3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.464 -5.782 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -12.295 -5.206 -2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.084 -6.672 -4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.213 -8.112 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.363 -9.007 -5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.492 -10.447 -1.195 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.946 -11.792 -2.915 1.00 0.00 H new ATOM 548 N PRO A 33 -9.230 -3.090 -3.001 1.00 0.00 N ATOM 549 CA PRO A 33 -9.131 -1.600 -3.031 1.00 0.00 C ATOM 550 C PRO A 33 -10.387 -0.945 -3.619 1.00 0.00 C ATOM 551 O PRO A 33 -11.005 -1.459 -4.530 1.00 0.00 O ATOM 552 CB PRO A 33 -7.901 -1.326 -3.919 1.00 0.00 C ATOM 553 CG PRO A 33 -7.125 -2.606 -3.918 1.00 0.00 C ATOM 554 CD PRO A 33 -8.160 -3.721 -3.788 1.00 0.00 C ATOM 0 HA PRO A 33 -9.038 -1.181 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.199 -1.047 -4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.305 -0.504 -3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.548 -2.714 -4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.416 -2.633 -3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.518 -4.054 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.750 -4.595 -3.283 1.00 0.00 H new ATOM 562 N SER A 34 -10.760 0.188 -3.096 1.00 0.00 N ATOM 563 CA SER A 34 -11.967 0.889 -3.613 1.00 0.00 C ATOM 564 C SER A 34 -11.924 2.366 -3.209 1.00 0.00 C ATOM 565 O SER A 34 -11.101 2.790 -2.421 1.00 0.00 O ATOM 566 CB SER A 34 -13.226 0.238 -3.042 1.00 0.00 C ATOM 567 OG SER A 34 -14.369 0.902 -3.563 1.00 0.00 O ATOM 0 H SER A 34 -10.280 0.661 -2.330 1.00 0.00 H new ATOM 0 HA SER A 34 -11.984 0.815 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.254 -0.820 -3.303 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.220 0.298 -1.954 1.00 0.00 H new ATOM 0 HG SER A 34 -15.181 0.488 -3.202 1.00 0.00 H new ATOM 573 N GLU A 35 -12.817 3.143 -3.753 1.00 0.00 N ATOM 574 CA GLU A 35 -12.864 4.600 -3.430 1.00 0.00 C ATOM 575 C GLU A 35 -12.969 4.784 -1.917 1.00 0.00 C ATOM 576 O GLU A 35 -12.630 5.820 -1.377 1.00 0.00 O ATOM 577 CB GLU A 35 -14.096 5.224 -4.097 1.00 0.00 C ATOM 578 CG GLU A 35 -13.957 5.165 -5.629 1.00 0.00 C ATOM 579 CD GLU A 35 -14.392 3.788 -6.148 1.00 0.00 C ATOM 580 OE1 GLU A 35 -14.690 2.933 -5.332 1.00 0.00 O ATOM 581 OE2 GLU A 35 -14.425 3.616 -7.355 1.00 0.00 O ATOM 0 H GLU A 35 -13.526 2.829 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.958 5.083 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.996 4.693 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.209 6.259 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.567 5.944 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.924 5.360 -5.915 1.00 0.00 H new ATOM 588 N GLN A 36 -13.437 3.782 -1.232 1.00 0.00 N ATOM 589 CA GLN A 36 -13.570 3.877 0.248 1.00 0.00 C ATOM 590 C GLN A 36 -12.180 3.805 0.892 1.00 0.00 C ATOM 591 O GLN A 36 -11.768 4.688 1.619 1.00 0.00 O ATOM 592 CB GLN A 36 -14.417 2.700 0.748 1.00 0.00 C ATOM 593 CG GLN A 36 -14.618 2.810 2.262 1.00 0.00 C ATOM 594 CD GLN A 36 -15.456 1.630 2.764 1.00 0.00 C ATOM 595 OE1 GLN A 36 -15.050 0.490 2.662 1.00 0.00 O ATOM 596 NE2 GLN A 36 -16.619 1.862 3.309 1.00 0.00 N ATOM 0 H GLN A 36 -13.736 2.894 -1.635 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.046 4.820 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.383 2.695 0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.926 1.758 0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.652 2.821 2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.115 3.749 2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -16.960 2.819 3.395 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -17.187 1.086 3.649 1.00 0.00 H new ATOM 605 N GLU A 37 -11.467 2.747 0.631 1.00 0.00 N ATOM 606 CA GLU A 37 -10.105 2.579 1.220 1.00 0.00 C ATOM 607 C GLU A 37 -9.116 3.537 0.551 1.00 0.00 C ATOM 608 O GLU A 37 -8.243 4.093 1.188 1.00 0.00 O ATOM 609 CB GLU A 37 -9.637 1.137 1.006 1.00 0.00 C ATOM 610 CG GLU A 37 -10.496 0.174 1.843 1.00 0.00 C ATOM 611 CD GLU A 37 -11.798 -0.150 1.102 1.00 0.00 C ATOM 612 OE1 GLU A 37 -12.032 0.449 0.067 1.00 0.00 O ATOM 613 OE2 GLU A 37 -12.552 -0.970 1.600 1.00 0.00 O ATOM 0 H GLU A 37 -11.770 1.982 0.029 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.149 2.802 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.708 0.876 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.589 1.041 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.942 -0.744 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.721 0.623 2.811 1.00 0.00 H new ATOM 620 N LYS A 38 -9.244 3.726 -0.733 1.00 0.00 N ATOM 621 CA LYS A 38 -8.307 4.638 -1.455 1.00 0.00 C ATOM 622 C LYS A 38 -8.463 6.062 -0.917 1.00 0.00 C ATOM 623 O LYS A 38 -7.497 6.763 -0.688 1.00 0.00 O ATOM 624 CB LYS A 38 -8.640 4.629 -2.950 1.00 0.00 C ATOM 625 CG LYS A 38 -8.299 3.262 -3.547 1.00 0.00 C ATOM 626 CD LYS A 38 -8.690 3.233 -5.028 1.00 0.00 C ATOM 627 CE LYS A 38 -8.439 1.835 -5.595 1.00 0.00 C ATOM 628 NZ LYS A 38 -6.996 1.491 -5.453 1.00 0.00 N ATOM 0 H LYS A 38 -9.957 3.289 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.283 4.298 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.698 4.847 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.078 5.410 -3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.233 3.063 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.827 2.476 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.740 3.500 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.111 3.971 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.052 1.103 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.730 1.799 -6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.789 0.631 -5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.415 2.276 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.776 1.326 -4.450 1.00 0.00 H new ATOM 642 N ALA A 39 -9.677 6.488 -0.715 1.00 0.00 N ATOM 643 CA ALA A 39 -9.912 7.866 -0.193 1.00 0.00 C ATOM 644 C ALA A 39 -9.390 7.965 1.240 1.00 0.00 C ATOM 645 O ALA A 39 -8.719 8.909 1.611 1.00 0.00 O ATOM 646 CB ALA A 39 -11.414 8.154 -0.199 1.00 0.00 C ATOM 0 H ALA A 39 -10.521 5.941 -0.889 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.392 8.588 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.593 9.160 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.795 8.078 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.926 7.430 0.435 1.00 0.00 H new ATOM 652 N LEU A 40 -9.704 6.993 2.049 1.00 0.00 N ATOM 653 CA LEU A 40 -9.242 7.014 3.465 1.00 0.00 C ATOM 654 C LEU A 40 -7.716 6.914 3.520 1.00 0.00 C ATOM 655 O LEU A 40 -7.058 7.635 4.246 1.00 0.00 O ATOM 656 CB LEU A 40 -9.858 5.822 4.204 1.00 0.00 C ATOM 657 CG LEU A 40 -9.406 5.817 5.691 1.00 0.00 C ATOM 658 CD1 LEU A 40 -10.586 5.442 6.596 1.00 0.00 C ATOM 659 CD2 LEU A 40 -8.273 4.798 5.901 1.00 0.00 C ATOM 0 H LEU A 40 -10.264 6.181 1.789 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.552 7.947 3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.945 5.873 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.557 4.892 3.722 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.049 6.815 5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.261 5.441 7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.388 6.169 6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.949 4.450 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.966 4.805 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.625 3.802 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.423 5.064 5.272 1.00 0.00 H new ATOM 671 N LEU A 41 -7.153 6.021 2.755 1.00 0.00 N ATOM 672 CA LEU A 41 -5.668 5.856 2.746 1.00 0.00 C ATOM 673 C LEU A 41 -5.011 7.109 2.171 1.00 0.00 C ATOM 674 O LEU A 41 -3.992 7.568 2.650 1.00 0.00 O ATOM 675 CB LEU A 41 -5.298 4.648 1.881 1.00 0.00 C ATOM 676 CG LEU A 41 -5.732 3.348 2.576 1.00 0.00 C ATOM 677 CD1 LEU A 41 -5.684 2.191 1.572 1.00 0.00 C ATOM 678 CD2 LEU A 41 -4.794 3.035 3.760 1.00 0.00 C ATOM 0 H LEU A 41 -7.659 5.393 2.131 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.317 5.701 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.780 4.727 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.223 4.633 1.704 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.748 3.471 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.992 1.269 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.358 2.401 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.668 2.079 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.113 2.112 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.773 2.919 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.831 3.853 4.480 1.00 0.00 H new ATOM 690 N SER A 42 -5.587 7.654 1.140 1.00 0.00 N ATOM 691 CA SER A 42 -5.009 8.875 0.511 1.00 0.00 C ATOM 692 C SER A 42 -5.019 10.026 1.518 1.00 0.00 C ATOM 693 O SER A 42 -4.092 10.811 1.596 1.00 0.00 O ATOM 694 CB SER A 42 -5.847 9.259 -0.709 1.00 0.00 C ATOM 695 OG SER A 42 -7.188 9.505 -0.300 1.00 0.00 O ATOM 0 H SER A 42 -6.439 7.305 0.701 1.00 0.00 H new ATOM 0 HA SER A 42 -3.983 8.674 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.431 10.147 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.821 8.459 -1.449 1.00 0.00 H new ATOM 0 HG SER A 42 -7.345 9.090 0.574 1.00 0.00 H new ATOM 701 N GLN A 43 -6.065 10.127 2.290 1.00 0.00 N ATOM 702 CA GLN A 43 -6.155 11.223 3.299 1.00 0.00 C ATOM 703 C GLN A 43 -5.090 11.011 4.379 1.00 0.00 C ATOM 704 O GLN A 43 -4.402 11.929 4.784 1.00 0.00 O ATOM 705 CB GLN A 43 -7.542 11.199 3.946 1.00 0.00 C ATOM 706 CG GLN A 43 -7.691 12.399 4.885 1.00 0.00 C ATOM 707 CD GLN A 43 -9.062 12.363 5.564 1.00 0.00 C ATOM 708 OE1 GLN A 43 -9.502 11.326 6.022 1.00 0.00 O ATOM 709 NE2 GLN A 43 -9.760 13.463 5.648 1.00 0.00 N ATOM 0 H GLN A 43 -6.866 9.495 2.266 1.00 0.00 H new ATOM 0 HA GLN A 43 -5.992 12.184 2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.314 11.228 3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -7.680 10.271 4.501 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -6.903 12.383 5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.578 13.327 4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.390 14.332 5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.675 13.453 6.098 1.00 0.00 H new ATOM 718 N GLN A 44 -4.954 9.801 4.847 1.00 0.00 N ATOM 719 CA GLN A 44 -3.938 9.507 5.900 1.00 0.00 C ATOM 720 C GLN A 44 -2.535 9.598 5.295 1.00 0.00 C ATOM 721 O GLN A 44 -1.610 10.094 5.909 1.00 0.00 O ATOM 722 CB GLN A 44 -4.163 8.090 6.438 1.00 0.00 C ATOM 723 CG GLN A 44 -5.492 8.031 7.193 1.00 0.00 C ATOM 724 CD GLN A 44 -5.744 6.604 7.690 1.00 0.00 C ATOM 725 OE1 GLN A 44 -5.795 5.674 6.911 1.00 0.00 O ATOM 726 NE2 GLN A 44 -5.911 6.394 8.968 1.00 0.00 N ATOM 0 H GLN A 44 -5.505 8.998 4.544 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.034 10.229 6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.169 7.375 5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.345 7.808 7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.473 8.721 8.036 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.306 8.348 6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.868 7.175 9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.084 5.449 9.311 1.00 0.00 H new ATOM 735 N THR A 45 -2.372 9.108 4.093 1.00 0.00 N ATOM 736 CA THR A 45 -1.043 9.138 3.435 1.00 0.00 C ATOM 737 C THR A 45 -0.856 10.460 2.699 1.00 0.00 C ATOM 738 O THR A 45 -1.788 11.206 2.476 1.00 0.00 O ATOM 739 CB THR A 45 -0.942 7.975 2.442 1.00 0.00 C ATOM 740 OG1 THR A 45 -1.947 8.112 1.445 1.00 0.00 O ATOM 741 CG2 THR A 45 -1.133 6.649 3.182 1.00 0.00 C ATOM 0 H THR A 45 -3.115 8.685 3.538 1.00 0.00 H new ATOM 0 HA THR A 45 -0.264 9.041 4.191 1.00 0.00 H new ATOM 0 HB THR A 45 0.041 7.987 1.971 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.692 7.508 1.647 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.061 5.823 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.360 6.543 3.943 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.114 6.635 3.657 1.00 0.00 H new ATOM 749 N HIS A 46 0.354 10.739 2.324 1.00 0.00 N ATOM 750 CA HIS A 46 0.662 12.006 1.594 1.00 0.00 C ATOM 751 C HIS A 46 0.918 11.685 0.120 1.00 0.00 C ATOM 752 O HIS A 46 1.629 12.391 -0.568 1.00 0.00 O ATOM 753 CB HIS A 46 1.909 12.648 2.211 1.00 0.00 C ATOM 754 CG HIS A 46 1.593 13.091 3.613 1.00 0.00 C ATOM 755 ND1 HIS A 46 1.748 12.254 4.708 1.00 0.00 N ATOM 756 CD2 HIS A 46 1.115 14.276 4.113 1.00 0.00 C ATOM 757 CE1 HIS A 46 1.371 12.944 5.801 1.00 0.00 C ATOM 758 NE2 HIS A 46 0.976 14.183 5.493 1.00 0.00 N ATOM 0 H HIS A 46 1.160 10.137 2.492 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.177 12.697 1.672 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.734 11.935 2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.229 13.500 1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.882 15.150 3.523 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.386 12.545 6.804 1.00 0.00 H new ATOM 0 HE2 HIS A 46 0.644 14.905 6.133 1.00 0.00 H new ATOM 766 N LEU A 47 0.341 10.612 -0.361 1.00 0.00 N ATOM 767 CA LEU A 47 0.537 10.209 -1.791 1.00 0.00 C ATOM 768 C LEU A 47 -0.752 10.427 -2.581 1.00 0.00 C ATOM 769 O LEU A 47 -1.846 10.354 -2.054 1.00 0.00 O ATOM 770 CB LEU A 47 0.921 8.730 -1.861 1.00 0.00 C ATOM 771 CG LEU A 47 2.181 8.480 -1.024 1.00 0.00 C ATOM 772 CD1 LEU A 47 2.539 6.993 -1.081 1.00 0.00 C ATOM 773 CD2 LEU A 47 3.350 9.316 -1.575 1.00 0.00 C ATOM 0 H LEU A 47 -0.263 9.992 0.179 1.00 0.00 H new ATOM 0 HA LEU A 47 1.332 10.819 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.101 8.114 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.098 8.439 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 47 1.993 8.771 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.435 6.811 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.713 6.404 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.725 6.703 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.242 9.134 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.544 9.033 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.093 10.374 -1.530 1.00 0.00 H new ATOM 785 N SER A 48 -0.610 10.701 -3.846 1.00 0.00 N ATOM 786 CA SER A 48 -1.793 10.943 -4.716 1.00 0.00 C ATOM 787 C SER A 48 -2.599 9.655 -4.890 1.00 0.00 C ATOM 788 O SER A 48 -2.148 8.568 -4.578 1.00 0.00 O ATOM 789 CB SER A 48 -1.313 11.437 -6.086 1.00 0.00 C ATOM 790 OG SER A 48 -0.932 12.803 -5.986 1.00 0.00 O ATOM 0 H SER A 48 0.290 10.769 -4.322 1.00 0.00 H new ATOM 0 HA SER A 48 -2.432 11.694 -4.251 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.470 10.836 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.106 11.322 -6.825 1.00 0.00 H new ATOM 0 HG SER A 48 -0.623 13.121 -6.860 1.00 0.00 H new ATOM 796 N THR A 49 -3.792 9.783 -5.394 1.00 0.00 N ATOM 797 CA THR A 49 -4.664 8.594 -5.606 1.00 0.00 C ATOM 798 C THR A 49 -3.999 7.641 -6.600 1.00 0.00 C ATOM 799 O THR A 49 -3.999 6.437 -6.425 1.00 0.00 O ATOM 800 CB THR A 49 -6.010 9.053 -6.171 1.00 0.00 C ATOM 801 OG1 THR A 49 -6.511 10.129 -5.391 1.00 0.00 O ATOM 802 CG2 THR A 49 -7.003 7.892 -6.137 1.00 0.00 C ATOM 0 H THR A 49 -4.207 10.672 -5.672 1.00 0.00 H new ATOM 0 HA THR A 49 -4.816 8.080 -4.657 1.00 0.00 H new ATOM 0 HB THR A 49 -5.875 9.384 -7.201 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.372 10.423 -5.755 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.961 8.221 -6.540 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.620 7.068 -6.739 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.137 7.558 -5.108 1.00 0.00 H new ATOM 810 N LEU A 50 -3.443 8.176 -7.650 1.00 0.00 N ATOM 811 CA LEU A 50 -2.788 7.313 -8.673 1.00 0.00 C ATOM 812 C LEU A 50 -1.611 6.563 -8.041 1.00 0.00 C ATOM 813 O LEU A 50 -1.400 5.390 -8.289 1.00 0.00 O ATOM 814 CB LEU A 50 -2.266 8.193 -9.818 1.00 0.00 C ATOM 815 CG LEU A 50 -1.564 7.327 -10.875 1.00 0.00 C ATOM 816 CD1 LEU A 50 -2.537 6.266 -11.416 1.00 0.00 C ATOM 817 CD2 LEU A 50 -1.084 8.219 -12.026 1.00 0.00 C ATOM 0 H LEU A 50 -3.413 9.177 -7.845 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.513 6.595 -9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.093 8.737 -10.274 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.572 8.937 -9.427 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.710 6.826 -10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.031 5.657 -12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.874 5.630 -10.597 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.397 6.759 -11.870 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.585 7.607 -12.777 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.939 8.722 -12.477 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.386 8.963 -11.643 1.00 0.00 H new ATOM 829 N GLN A 51 -0.839 7.239 -7.235 1.00 0.00 N ATOM 830 CA GLN A 51 0.334 6.583 -6.586 1.00 0.00 C ATOM 831 C GLN A 51 -0.157 5.480 -5.647 1.00 0.00 C ATOM 832 O GLN A 51 0.418 4.410 -5.563 1.00 0.00 O ATOM 833 CB GLN A 51 1.110 7.625 -5.774 1.00 0.00 C ATOM 834 CG GLN A 51 1.790 8.619 -6.719 1.00 0.00 C ATOM 835 CD GLN A 51 2.529 9.688 -5.907 1.00 0.00 C ATOM 836 OE1 GLN A 51 1.926 10.422 -5.150 1.00 0.00 O ATOM 837 NE2 GLN A 51 3.824 9.807 -6.036 1.00 0.00 N ATOM 0 H GLN A 51 -0.970 8.222 -6.996 1.00 0.00 H new ATOM 0 HA GLN A 51 0.981 6.153 -7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.433 8.153 -5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.857 7.132 -5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.490 8.095 -7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.047 9.088 -7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.332 9.191 -6.671 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.327 10.515 -5.501 1.00 0.00 H new ATOM 846 N VAL A 52 -1.219 5.741 -4.938 1.00 0.00 N ATOM 847 CA VAL A 52 -1.767 4.725 -3.991 1.00 0.00 C ATOM 848 C VAL A 52 -2.243 3.493 -4.766 1.00 0.00 C ATOM 849 O VAL A 52 -1.971 2.369 -4.396 1.00 0.00 O ATOM 850 CB VAL A 52 -2.952 5.339 -3.235 1.00 0.00 C ATOM 851 CG1 VAL A 52 -3.662 4.258 -2.413 1.00 0.00 C ATOM 852 CG2 VAL A 52 -2.442 6.440 -2.299 1.00 0.00 C ATOM 0 H VAL A 52 -1.736 6.620 -4.973 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.990 4.425 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.655 5.763 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.503 4.701 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.027 3.476 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.962 3.828 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.282 6.878 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.737 6.013 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.944 7.213 -2.884 1.00 0.00 H new ATOM 862 N CYS A 53 -2.956 3.701 -5.839 1.00 0.00 N ATOM 863 CA CYS A 53 -3.463 2.547 -6.638 1.00 0.00 C ATOM 864 C CYS A 53 -2.277 1.794 -7.256 1.00 0.00 C ATOM 865 O CYS A 53 -2.196 0.579 -7.213 1.00 0.00 O ATOM 866 CB CYS A 53 -4.363 3.076 -7.759 1.00 0.00 C ATOM 867 SG CYS A 53 -5.790 3.926 -7.039 1.00 0.00 S ATOM 0 H CYS A 53 -3.210 4.621 -6.198 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.027 1.872 -5.994 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -3.803 3.760 -8.397 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.697 2.253 -8.390 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.425 5.097 -6.608 1.00 0.00 H new ATOM 873 N ASN A 54 -1.355 2.520 -7.821 1.00 0.00 N ATOM 874 CA ASN A 54 -0.157 1.880 -8.442 1.00 0.00 C ATOM 875 C ASN A 54 0.673 1.193 -7.355 1.00 0.00 C ATOM 876 O ASN A 54 1.218 0.123 -7.549 1.00 0.00 O ATOM 877 CB ASN A 54 0.689 2.957 -9.127 1.00 0.00 C ATOM 878 CG ASN A 54 1.952 2.326 -9.714 1.00 0.00 C ATOM 879 OD1 ASN A 54 2.754 1.761 -8.997 1.00 0.00 O ATOM 880 ND2 ASN A 54 2.166 2.406 -10.999 1.00 0.00 N ATOM 0 H ASN A 54 -1.378 3.538 -7.881 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.474 1.140 -9.177 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.112 3.439 -9.916 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.958 3.732 -8.410 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.007 1.994 -11.403 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.492 2.881 -11.600 1.00 0.00 H new ATOM 887 N TRP A 55 0.772 1.814 -6.211 1.00 0.00 N ATOM 888 CA TRP A 55 1.567 1.225 -5.090 1.00 0.00 C ATOM 889 C TRP A 55 1.019 -0.156 -4.728 1.00 0.00 C ATOM 890 O TRP A 55 1.759 -1.086 -4.487 1.00 0.00 O ATOM 891 CB TRP A 55 1.460 2.135 -3.867 1.00 0.00 C ATOM 892 CG TRP A 55 2.271 1.565 -2.747 1.00 0.00 C ATOM 893 CD1 TRP A 55 3.559 1.879 -2.486 1.00 0.00 C ATOM 894 CD2 TRP A 55 1.877 0.587 -1.740 1.00 0.00 C ATOM 895 NE1 TRP A 55 3.980 1.161 -1.382 1.00 0.00 N ATOM 896 CE2 TRP A 55 2.980 0.348 -0.887 1.00 0.00 C ATOM 897 CE3 TRP A 55 0.681 -0.109 -1.486 1.00 0.00 C ATOM 898 CZ2 TRP A 55 2.901 -0.548 0.179 1.00 0.00 C ATOM 899 CZ3 TRP A 55 0.598 -1.013 -0.414 1.00 0.00 C ATOM 900 CH2 TRP A 55 1.707 -1.232 0.416 1.00 0.00 C ATOM 0 H TRP A 55 0.334 2.711 -6.001 1.00 0.00 H new ATOM 0 HA TRP A 55 2.607 1.131 -5.401 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.814 3.136 -4.113 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.418 2.232 -3.563 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.161 2.577 -3.048 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.916 1.224 -0.982 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.179 0.053 -2.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.757 -0.712 0.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.325 -1.542 -0.228 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.638 -1.929 1.238 1.00 0.00 H new ATOM 911 N PHE A 56 -0.276 -0.289 -4.681 1.00 0.00 N ATOM 912 CA PHE A 56 -0.887 -1.606 -4.329 1.00 0.00 C ATOM 913 C PHE A 56 -0.518 -2.656 -5.382 1.00 0.00 C ATOM 914 O PHE A 56 -0.180 -3.781 -5.062 1.00 0.00 O ATOM 915 CB PHE A 56 -2.417 -1.455 -4.277 1.00 0.00 C ATOM 916 CG PHE A 56 -2.842 -1.003 -2.899 1.00 0.00 C ATOM 917 CD1 PHE A 56 -2.638 -1.850 -1.805 1.00 0.00 C ATOM 918 CD2 PHE A 56 -3.434 0.253 -2.715 1.00 0.00 C ATOM 919 CE1 PHE A 56 -3.026 -1.443 -0.525 1.00 0.00 C ATOM 920 CE2 PHE A 56 -3.823 0.657 -1.434 1.00 0.00 C ATOM 921 CZ PHE A 56 -3.616 -0.191 -0.338 1.00 0.00 C ATOM 0 H PHE A 56 -0.943 0.459 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.510 -1.928 -3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.746 -0.732 -5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.894 -2.404 -4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.181 -2.818 -1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.590 0.907 -3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.869 -2.097 0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.283 1.623 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.913 0.124 0.652 1.00 0.00 H new ATOM 931 N ILE A 57 -0.603 -2.302 -6.631 1.00 0.00 N ATOM 932 CA ILE A 57 -0.285 -3.287 -7.706 1.00 0.00 C ATOM 933 C ILE A 57 1.181 -3.723 -7.605 1.00 0.00 C ATOM 934 O ILE A 57 1.499 -4.897 -7.668 1.00 0.00 O ATOM 935 CB ILE A 57 -0.513 -2.623 -9.070 1.00 0.00 C ATOM 936 CG1 ILE A 57 -2.005 -2.332 -9.252 1.00 0.00 C ATOM 937 CG2 ILE A 57 -0.035 -3.558 -10.185 1.00 0.00 C ATOM 938 CD1 ILE A 57 -2.211 -1.440 -10.479 1.00 0.00 C ATOM 0 H ILE A 57 -0.878 -1.376 -6.957 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.928 -4.160 -7.595 1.00 0.00 H new ATOM 0 HB ILE A 57 0.049 -1.690 -9.116 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.555 -3.265 -9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.401 -1.841 -8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.198 -3.084 -11.153 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.028 -3.764 -10.057 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.594 -4.493 -10.140 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.274 -1.235 -10.605 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.674 -0.501 -10.341 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.831 -1.948 -11.366 1.00 0.00 H new ATOM 950 N ASN A 58 2.071 -2.786 -7.459 1.00 0.00 N ATOM 951 CA ASN A 58 3.521 -3.131 -7.362 1.00 0.00 C ATOM 952 C ASN A 58 3.840 -3.695 -5.974 1.00 0.00 C ATOM 953 O ASN A 58 4.546 -4.676 -5.830 1.00 0.00 O ATOM 954 CB ASN A 58 4.351 -1.869 -7.599 1.00 0.00 C ATOM 955 CG ASN A 58 5.838 -2.206 -7.488 1.00 0.00 C ATOM 956 OD1 ASN A 58 6.257 -3.284 -7.859 1.00 0.00 O ATOM 957 ND2 ASN A 58 6.660 -1.322 -6.989 1.00 0.00 N ATOM 0 H ASN A 58 1.860 -1.790 -7.402 1.00 0.00 H new ATOM 0 HA ASN A 58 3.761 -3.884 -8.113 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.133 -1.458 -8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.085 -1.104 -6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.654 -1.537 -6.911 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.308 -0.417 -6.678 1.00 0.00 H new ATOM 964 N ALA A 59 3.329 -3.065 -4.951 1.00 0.00 N ATOM 965 CA ALA A 59 3.597 -3.534 -3.559 1.00 0.00 C ATOM 966 C ALA A 59 3.028 -4.937 -3.360 1.00 0.00 C ATOM 967 O ALA A 59 3.665 -5.803 -2.797 1.00 0.00 O ATOM 968 CB ALA A 59 2.924 -2.582 -2.568 1.00 0.00 C ATOM 0 H ALA A 59 2.733 -2.240 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 59 4.674 -3.553 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.117 -2.920 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.326 -1.577 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.849 -2.569 -2.748 1.00 0.00 H new ATOM 974 N ARG A 60 1.827 -5.164 -3.814 1.00 0.00 N ATOM 975 CA ARG A 60 1.204 -6.509 -3.646 1.00 0.00 C ATOM 976 C ARG A 60 2.026 -7.559 -4.396 1.00 0.00 C ATOM 977 O ARG A 60 2.322 -8.617 -3.884 1.00 0.00 O ATOM 978 CB ARG A 60 -0.213 -6.483 -4.235 1.00 0.00 C ATOM 979 CG ARG A 60 -0.917 -7.823 -3.986 1.00 0.00 C ATOM 980 CD ARG A 60 -2.299 -7.823 -4.655 1.00 0.00 C ATOM 981 NE ARG A 60 -3.150 -6.759 -4.051 1.00 0.00 N ATOM 982 CZ ARG A 60 -4.369 -6.550 -4.485 1.00 0.00 C ATOM 983 NH1 ARG A 60 -4.859 -7.268 -5.461 1.00 0.00 N ATOM 984 NH2 ARG A 60 -5.096 -5.613 -3.943 1.00 0.00 N ATOM 0 H ARG A 60 1.248 -4.476 -4.295 1.00 0.00 H new ATOM 0 HA ARG A 60 1.170 -6.759 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.787 -5.673 -3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.166 -6.282 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.313 -8.640 -4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.023 -7.994 -2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.195 -7.654 -5.727 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.774 -8.796 -4.531 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.780 -6.187 -3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.292 -7.998 -5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.809 -7.098 -5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.715 -5.047 -3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.045 -5.446 -4.277 1.00 0.00 H new ATOM 998 N ARG A 61 2.393 -7.266 -5.610 1.00 0.00 N ATOM 999 CA ARG A 61 3.183 -8.242 -6.416 1.00 0.00 C ATOM 1000 C ARG A 61 4.594 -8.376 -5.841 1.00 0.00 C ATOM 1001 O ARG A 61 5.310 -9.312 -6.135 1.00 0.00 O ATOM 1002 CB ARG A 61 3.265 -7.746 -7.860 1.00 0.00 C ATOM 1003 CG ARG A 61 1.883 -7.845 -8.513 1.00 0.00 C ATOM 1004 CD ARG A 61 1.945 -7.286 -9.939 1.00 0.00 C ATOM 1005 NE ARG A 61 0.598 -7.382 -10.570 1.00 0.00 N ATOM 1006 CZ ARG A 61 0.376 -6.853 -11.746 1.00 0.00 C ATOM 1007 NH1 ARG A 61 1.334 -6.242 -12.388 1.00 0.00 N ATOM 1008 NH2 ARG A 61 -0.812 -6.939 -12.279 1.00 0.00 N ATOM 0 H ARG A 61 2.180 -6.388 -6.084 1.00 0.00 H new ATOM 0 HA ARG A 61 2.695 -9.216 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.616 -6.714 -7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.987 -8.341 -8.420 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.553 -8.884 -8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.152 -7.290 -7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.276 -6.248 -9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.674 -7.842 -10.528 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.157 -7.864 -10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.263 -6.174 -11.973 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.153 -5.832 -13.304 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.562 -7.417 -11.779 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.991 -6.528 -13.195 1.00 0.00 H new ATOM 1022 N ARG A 62 4.996 -7.446 -5.020 1.00 0.00 N ATOM 1023 CA ARG A 62 6.360 -7.506 -4.410 1.00 0.00 C ATOM 1024 C ARG A 62 6.251 -8.004 -2.967 1.00 0.00 C ATOM 1025 O ARG A 62 7.195 -8.513 -2.397 1.00 0.00 O ATOM 1026 CB ARG A 62 6.975 -6.105 -4.415 1.00 0.00 C ATOM 1027 CG ARG A 62 8.404 -6.170 -3.870 1.00 0.00 C ATOM 1028 CD ARG A 62 9.029 -4.774 -3.901 1.00 0.00 C ATOM 1029 NE ARG A 62 10.469 -4.865 -3.517 1.00 0.00 N ATOM 1030 CZ ARG A 62 10.829 -4.829 -2.258 1.00 0.00 C ATOM 1031 NH1 ARG A 62 9.934 -4.727 -1.314 1.00 0.00 N ATOM 1032 NH2 ARG A 62 12.094 -4.899 -1.948 1.00 0.00 N ATOM 0 H ARG A 62 4.436 -6.640 -4.742 1.00 0.00 H new ATOM 0 HA ARG A 62 6.988 -8.187 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.979 -5.702 -5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.373 -5.430 -3.806 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.398 -6.554 -2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.001 -6.860 -4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.934 -4.343 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.500 -4.112 -3.216 1.00 0.00 H new ATOM 0 HE ARG A 62 11.180 -4.956 -4.243 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.944 -4.675 -1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.224 -4.700 -0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.796 -4.981 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.382 -4.872 -0.970 1.00 0.00 H new ATOM 1046 N LEU A 63 5.104 -7.840 -2.367 1.00 0.00 N ATOM 1047 CA LEU A 63 4.919 -8.277 -0.949 1.00 0.00 C ATOM 1048 C LEU A 63 4.339 -9.685 -0.885 1.00 0.00 C ATOM 1049 O LEU A 63 4.999 -10.612 -0.474 1.00 0.00 O ATOM 1050 CB LEU A 63 3.956 -7.313 -0.253 1.00 0.00 C ATOM 1051 CG LEU A 63 4.642 -5.957 -0.035 1.00 0.00 C ATOM 1052 CD1 LEU A 63 3.592 -4.904 0.337 1.00 0.00 C ATOM 1053 CD2 LEU A 63 5.683 -6.063 1.100 1.00 0.00 C ATOM 0 H LEU A 63 4.281 -7.420 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 63 5.890 -8.275 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.058 -7.183 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.640 -7.729 0.704 1.00 0.00 H new ATOM 0 HG LEU A 63 5.146 -5.665 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.080 -3.942 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.864 -4.816 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.084 -5.204 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.163 -5.095 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.186 -6.364 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.436 -6.805 0.835 1.00 0.00 H new ATOM 1065 N LEU A 64 3.099 -9.834 -1.256 1.00 0.00 N ATOM 1066 CA LEU A 64 2.422 -11.172 -1.192 1.00 0.00 C ATOM 1067 C LEU A 64 3.409 -12.331 -1.423 1.00 0.00 C ATOM 1068 O LEU A 64 3.619 -13.141 -0.541 1.00 0.00 O ATOM 1069 CB LEU A 64 1.284 -11.221 -2.235 1.00 0.00 C ATOM 1070 CG LEU A 64 -0.042 -10.795 -1.598 1.00 0.00 C ATOM 1071 CD1 LEU A 64 -0.490 -11.833 -0.549 1.00 0.00 C ATOM 1072 CD2 LEU A 64 0.128 -9.413 -0.939 1.00 0.00 C ATOM 0 H LEU A 64 2.512 -9.078 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 64 2.012 -11.296 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.520 -10.564 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.194 -12.230 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.808 -10.735 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.434 -11.517 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.622 -12.802 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.269 -11.914 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.815 -9.108 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.899 -9.469 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.420 -8.683 -1.694 1.00 0.00 H new ATOM 1084 N PRO A 65 3.985 -12.435 -2.587 1.00 0.00 N ATOM 1085 CA PRO A 65 4.930 -13.545 -2.894 1.00 0.00 C ATOM 1086 C PRO A 65 6.130 -13.578 -1.942 1.00 0.00 C ATOM 1087 O PRO A 65 6.415 -14.578 -1.313 1.00 0.00 O ATOM 1088 CB PRO A 65 5.391 -13.256 -4.338 1.00 0.00 C ATOM 1089 CG PRO A 65 5.033 -11.823 -4.600 1.00 0.00 C ATOM 1090 CD PRO A 65 3.820 -11.524 -3.728 1.00 0.00 C ATOM 0 HA PRO A 65 4.452 -14.518 -2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.464 -13.418 -4.446 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.896 -13.919 -5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.864 -11.162 -4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.804 -11.665 -5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.801 -10.482 -3.410 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.887 -11.712 -4.260 1.00 0.00 H new