USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 605 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 103 ASN : amide:sc= -0.728 K(o=-0.73,f=0) USER MOD Set 1.2: A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= -0.575 USER MOD Set 2.2: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 47 TYR OH : rot 9:sc= -0.592 USER MOD Set 3.2: A 108 LYS NZ :NH3+ -156:sc= 0.0345 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= 0.0626 (180deg=-0.0566) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -3! C(o=-3!,f=-3.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 34 ASN : amide:sc= -5.86! C(o=-5.9!,f=-13!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 174:sc= -0.49 (180deg=-0.562) USER MOD Single : A 42 SER OG : rot 91:sc= 0.57 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 179:sc= -1.15 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.281 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 156:sc=-0.00131 (180deg=-0.253) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 192 N LYS A 13 1.654 -0.764 12.075 1.00 0.00 N ATOM 193 CA LYS A 13 1.635 -1.251 10.701 1.00 0.00 C ATOM 194 C LYS A 13 0.564 -0.521 9.892 1.00 0.00 C ATOM 195 O LYS A 13 -0.527 -0.248 10.395 1.00 0.00 O ATOM 196 CB LYS A 13 1.370 -2.763 10.680 1.00 0.00 C ATOM 197 CG LYS A 13 1.134 -3.338 9.287 1.00 0.00 C ATOM 198 CD LYS A 13 2.344 -4.111 8.789 1.00 0.00 C ATOM 199 CE LYS A 13 2.673 -5.281 9.702 1.00 0.00 C ATOM 200 NZ LYS A 13 3.484 -6.319 9.008 1.00 0.00 N ATOM 0 HA LYS A 13 2.608 -1.055 10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.219 -3.275 11.133 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.500 -2.977 11.301 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.264 -3.995 9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.907 -2.529 8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.153 -4.478 7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.203 -3.443 8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.217 -4.919 10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.748 -5.728 10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.299 -7.248 9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.226 -6.345 8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.494 -6.090 9.101 1.00 0.00 H new ATOM 214 N PRO A 14 0.872 -0.176 8.627 1.00 0.00 N ATOM 215 CA PRO A 14 -0.063 0.544 7.761 1.00 0.00 C ATOM 216 C PRO A 14 -1.360 -0.227 7.551 1.00 0.00 C ATOM 217 O PRO A 14 -1.436 -1.424 7.824 1.00 0.00 O ATOM 218 CB PRO A 14 0.694 0.709 6.436 1.00 0.00 C ATOM 219 CG PRO A 14 1.860 -0.218 6.505 1.00 0.00 C ATOM 220 CD PRO A 14 2.159 -0.436 7.962 1.00 0.00 C ATOM 0 HA PRO A 14 -0.363 1.496 8.199 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.053 0.466 5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.023 1.739 6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.632 -1.163 6.012 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.723 0.208 5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.509 -1.451 8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.936 0.241 8.317 1.00 0.00 H new ATOM 228 N VAL A 15 -2.389 0.480 7.095 1.00 0.00 N ATOM 229 CA VAL A 15 -3.699 -0.123 6.884 1.00 0.00 C ATOM 230 C VAL A 15 -3.724 -1.052 5.671 1.00 0.00 C ATOM 231 O VAL A 15 -3.501 -0.629 4.528 1.00 0.00 O ATOM 232 CB VAL A 15 -4.789 0.953 6.723 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.753 1.928 7.892 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.635 1.686 5.399 1.00 0.00 C ATOM 0 H VAL A 15 -2.340 1.472 6.864 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.905 -0.718 7.773 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.761 0.459 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.530 2.681 7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.925 1.387 8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.778 2.415 7.930 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.416 2.441 5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.658 2.168 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.720 0.975 4.577 1.00 0.00 H new ATOM 244 N LYS A 16 -4.026 -2.320 5.940 1.00 0.00 N ATOM 245 CA LYS A 16 -4.122 -3.338 4.903 1.00 0.00 C ATOM 246 C LYS A 16 -5.558 -3.849 4.830 1.00 0.00 C ATOM 247 O LYS A 16 -6.298 -3.771 5.811 1.00 0.00 O ATOM 248 CB LYS A 16 -3.162 -4.495 5.194 1.00 0.00 C ATOM 249 CG LYS A 16 -3.425 -5.191 6.520 1.00 0.00 C ATOM 250 CD LYS A 16 -3.101 -6.676 6.443 1.00 0.00 C ATOM 251 CE LYS A 16 -1.990 -7.056 7.409 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.470 -7.113 8.819 1.00 0.00 N ATOM 0 H LYS A 16 -4.210 -2.668 6.881 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.844 -2.899 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.235 -5.227 4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.140 -4.117 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.824 -4.726 7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.470 -5.059 6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.995 -7.257 6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.804 -6.932 5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.580 -8.026 7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.179 -6.332 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.681 -7.375 9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.838 -6.181 9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.226 -7.822 8.900 1.00 0.00 H new ATOM 266 N PHE A 17 -5.963 -4.354 3.671 1.00 0.00 N ATOM 267 CA PHE A 17 -7.324 -4.849 3.504 1.00 0.00 C ATOM 268 C PHE A 17 -7.419 -5.862 2.369 1.00 0.00 C ATOM 269 O PHE A 17 -6.485 -6.025 1.586 1.00 0.00 O ATOM 270 CB PHE A 17 -8.270 -3.681 3.227 1.00 0.00 C ATOM 271 CG PHE A 17 -7.775 -2.764 2.146 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.862 -3.133 0.812 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.216 -1.536 2.462 1.00 0.00 C ATOM 274 CE1 PHE A 17 -7.401 -2.296 -0.185 1.00 0.00 C ATOM 275 CE2 PHE A 17 -6.755 -0.694 1.470 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.846 -1.073 0.146 1.00 0.00 C ATOM 0 H PHE A 17 -5.376 -4.431 2.841 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.612 -5.350 4.429 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.247 -4.072 2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.409 -3.109 4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.296 -4.087 0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.140 -1.234 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.474 -2.595 -1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.323 0.261 1.730 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.484 -0.415 -0.631 1.00 0.00 H new ATOM 286 N GLN A 18 -8.562 -6.532 2.283 1.00 0.00 N ATOM 287 CA GLN A 18 -8.798 -7.522 1.240 1.00 0.00 C ATOM 288 C GLN A 18 -9.696 -6.940 0.155 1.00 0.00 C ATOM 289 O GLN A 18 -10.745 -6.368 0.449 1.00 0.00 O ATOM 290 CB GLN A 18 -9.441 -8.777 1.835 1.00 0.00 C ATOM 291 CG GLN A 18 -8.984 -10.066 1.173 1.00 0.00 C ATOM 292 CD GLN A 18 -10.140 -10.977 0.817 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.156 -10.531 0.282 1.00 0.00 O ATOM 294 NE2 GLN A 18 -9.991 -12.262 1.112 1.00 0.00 N ATOM 0 H GLN A 18 -9.343 -6.406 2.927 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.840 -7.795 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.211 -8.823 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.524 -8.697 1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.422 -9.827 0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.303 -10.593 1.842 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.132 -12.587 1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.736 -12.925 0.896 1.00 0.00 H new ATOM 303 N LEU A 19 -9.278 -7.075 -1.100 1.00 0.00 N ATOM 304 CA LEU A 19 -10.052 -6.544 -2.216 1.00 0.00 C ATOM 305 C LEU A 19 -10.683 -7.661 -3.050 1.00 0.00 C ATOM 306 O LEU A 19 -11.625 -7.419 -3.805 1.00 0.00 O ATOM 307 CB LEU A 19 -9.168 -5.657 -3.100 1.00 0.00 C ATOM 308 CG LEU A 19 -9.408 -4.151 -2.955 1.00 0.00 C ATOM 309 CD1 LEU A 19 -8.613 -3.382 -3.998 1.00 0.00 C ATOM 310 CD2 LEU A 19 -10.891 -3.829 -3.074 1.00 0.00 C ATOM 0 H LEU A 19 -8.413 -7.545 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.862 -5.944 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.124 -5.867 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.327 -5.936 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.069 -3.845 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.796 -2.314 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.550 -3.585 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.923 -3.695 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.040 -2.754 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.256 -4.152 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.441 -4.350 -2.290 1.00 0.00 H new ATOM 322 N GLU A 20 -10.169 -8.881 -2.912 1.00 0.00 N ATOM 323 CA GLU A 20 -10.702 -10.015 -3.661 1.00 0.00 C ATOM 324 C GLU A 20 -10.921 -11.224 -2.758 1.00 0.00 C ATOM 325 O GLU A 20 -10.167 -11.456 -1.814 1.00 0.00 O ATOM 326 CB GLU A 20 -9.766 -10.387 -4.812 1.00 0.00 C ATOM 327 CG GLU A 20 -9.852 -9.440 -5.997 1.00 0.00 C ATOM 328 CD GLU A 20 -10.950 -9.823 -6.970 1.00 0.00 C ATOM 329 OE1 GLU A 20 -10.633 -10.096 -8.146 1.00 0.00 O ATOM 330 OE2 GLU A 20 -12.129 -9.849 -6.555 1.00 0.00 O ATOM 0 H GLU A 20 -9.390 -9.108 -2.294 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.667 -9.715 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.740 -10.403 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.000 -11.397 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.029 -8.427 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.896 -9.430 -6.520 1.00 0.00 H new ATOM 337 N ASP A 21 -11.963 -11.989 -3.062 1.00 0.00 N ATOM 338 CA ASP A 21 -12.309 -13.183 -2.293 1.00 0.00 C ATOM 339 C ASP A 21 -11.216 -14.251 -2.368 1.00 0.00 C ATOM 340 O ASP A 21 -11.250 -15.231 -1.624 1.00 0.00 O ATOM 341 CB ASP A 21 -13.633 -13.763 -2.793 1.00 0.00 C ATOM 342 CG ASP A 21 -13.584 -14.126 -4.264 1.00 0.00 C ATOM 343 OD1 ASP A 21 -13.930 -15.277 -4.603 1.00 0.00 O ATOM 344 OD2 ASP A 21 -13.200 -13.259 -5.077 1.00 0.00 O ATOM 0 H ASP A 21 -12.590 -11.802 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.408 -12.882 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.881 -14.650 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.430 -13.039 -2.626 1.00 0.00 H new ATOM 349 N ASP A 22 -10.260 -14.073 -3.277 1.00 0.00 N ATOM 350 CA ASP A 22 -9.183 -15.044 -3.447 1.00 0.00 C ATOM 351 C ASP A 22 -8.079 -14.859 -2.403 1.00 0.00 C ATOM 352 O ASP A 22 -7.089 -15.591 -2.406 1.00 0.00 O ATOM 353 CB ASP A 22 -8.589 -14.933 -4.852 1.00 0.00 C ATOM 354 CG ASP A 22 -7.869 -16.198 -5.277 1.00 0.00 C ATOM 355 OD1 ASP A 22 -6.788 -16.087 -5.894 1.00 0.00 O ATOM 356 OD2 ASP A 22 -8.385 -17.299 -4.992 1.00 0.00 O ATOM 0 H ASP A 22 -10.209 -13.270 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.613 -16.036 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.385 -14.715 -5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.894 -14.094 -4.884 1.00 0.00 H new ATOM 361 N GLY A 23 -8.256 -13.895 -1.503 1.00 0.00 N ATOM 362 CA GLY A 23 -7.266 -13.664 -0.467 1.00 0.00 C ATOM 363 C GLY A 23 -6.259 -12.589 -0.826 1.00 0.00 C ATOM 364 O GLY A 23 -5.156 -12.562 -0.281 1.00 0.00 O ATOM 0 H GLY A 23 -9.064 -13.273 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.775 -13.382 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.736 -14.595 -0.267 1.00 0.00 H new ATOM 368 N GLU A 24 -6.632 -11.696 -1.737 1.00 0.00 N ATOM 369 CA GLU A 24 -5.739 -10.618 -2.144 1.00 0.00 C ATOM 370 C GLU A 24 -5.770 -9.485 -1.129 1.00 0.00 C ATOM 371 O GLU A 24 -6.805 -8.849 -0.921 1.00 0.00 O ATOM 372 CB GLU A 24 -6.125 -10.088 -3.525 1.00 0.00 C ATOM 373 CG GLU A 24 -5.701 -10.996 -4.668 1.00 0.00 C ATOM 374 CD GLU A 24 -6.756 -11.101 -5.752 1.00 0.00 C ATOM 375 OE1 GLU A 24 -6.797 -10.211 -6.628 1.00 0.00 O ATOM 376 OE2 GLU A 24 -7.542 -12.071 -5.724 1.00 0.00 O ATOM 0 H GLU A 24 -7.539 -11.697 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.727 -11.020 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.206 -9.951 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.674 -9.106 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.775 -10.619 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.487 -11.991 -4.277 1.00 0.00 H new ATOM 383 N PHE A 25 -4.628 -9.237 -0.499 1.00 0.00 N ATOM 384 CA PHE A 25 -4.523 -8.180 0.496 1.00 0.00 C ATOM 385 C PHE A 25 -3.674 -7.027 -0.021 1.00 0.00 C ATOM 386 O PHE A 25 -2.603 -7.233 -0.592 1.00 0.00 O ATOM 387 CB PHE A 25 -3.926 -8.728 1.794 1.00 0.00 C ATOM 388 CG PHE A 25 -4.963 -9.160 2.792 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.603 -10.380 2.657 1.00 0.00 C ATOM 390 CD2 PHE A 25 -5.299 -8.344 3.861 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.559 -10.782 3.570 1.00 0.00 C ATOM 392 CE2 PHE A 25 -6.255 -8.740 4.777 1.00 0.00 C ATOM 393 CZ PHE A 25 -6.887 -9.960 4.631 1.00 0.00 C ATOM 0 H PHE A 25 -3.763 -9.753 -0.660 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.527 -7.805 0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.282 -9.576 1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.294 -7.963 2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.352 -11.025 1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.809 -7.389 3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.049 -11.737 3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.508 -8.096 5.606 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.636 -10.270 5.345 1.00 0.00 H new ATOM 403 N TYR A 26 -4.163 -5.813 0.187 1.00 0.00 N ATOM 404 CA TYR A 26 -3.458 -4.616 -0.246 1.00 0.00 C ATOM 405 C TYR A 26 -3.329 -3.629 0.901 1.00 0.00 C ATOM 406 O TYR A 26 -3.989 -3.762 1.929 1.00 0.00 O ATOM 407 CB TYR A 26 -4.182 -3.951 -1.413 1.00 0.00 C ATOM 408 CG TYR A 26 -4.197 -4.782 -2.674 1.00 0.00 C ATOM 409 CD1 TYR A 26 -5.171 -5.750 -2.884 1.00 0.00 C ATOM 410 CD2 TYR A 26 -3.232 -4.596 -3.656 1.00 0.00 C ATOM 411 CE1 TYR A 26 -5.182 -6.509 -4.040 1.00 0.00 C ATOM 412 CE2 TYR A 26 -3.237 -5.351 -4.812 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.214 -6.306 -5.000 1.00 0.00 C ATOM 414 OH TYR A 26 -4.221 -7.060 -6.152 1.00 0.00 O ATOM 0 H TYR A 26 -5.050 -5.631 0.656 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.463 -4.916 -0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.209 -3.738 -1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.706 -2.994 -1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.931 -5.912 -2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.466 -3.849 -3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.946 -7.258 -4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.479 -5.194 -5.566 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.472 -6.791 -6.724 1.00 0.00 H new ATOM 424 N MET A 27 -2.478 -2.636 0.713 1.00 0.00 N ATOM 425 CA MET A 27 -2.260 -1.613 1.726 1.00 0.00 C ATOM 426 C MET A 27 -2.275 -0.232 1.095 1.00 0.00 C ATOM 427 O MET A 27 -1.857 -0.063 -0.053 1.00 0.00 O ATOM 428 CB MET A 27 -0.929 -1.845 2.444 1.00 0.00 C ATOM 429 CG MET A 27 -0.930 -3.069 3.343 1.00 0.00 C ATOM 430 SD MET A 27 0.503 -4.126 3.076 1.00 0.00 S ATOM 431 CE MET A 27 1.098 -4.325 4.751 1.00 0.00 C ATOM 0 H MET A 27 -1.924 -2.514 -0.134 1.00 0.00 H new ATOM 0 HA MET A 27 -3.067 -1.676 2.456 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.138 -1.950 1.701 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.690 -0.965 3.042 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.952 -2.750 4.385 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.839 -3.644 3.166 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.986 -4.958 4.749 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.349 -3.349 5.166 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.322 -4.790 5.360 1.00 0.00 H new ATOM 441 N ILE A 28 -2.757 0.756 1.840 1.00 0.00 N ATOM 442 CA ILE A 28 -2.813 2.118 1.324 1.00 0.00 C ATOM 443 C ILE A 28 -1.417 2.732 1.273 1.00 0.00 C ATOM 444 O ILE A 28 -0.723 2.814 2.290 1.00 0.00 O ATOM 445 CB ILE A 28 -3.752 3.010 2.157 1.00 0.00 C ATOM 446 CG1 ILE A 28 -5.087 2.301 2.381 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.975 4.338 1.451 1.00 0.00 C ATOM 448 CD1 ILE A 28 -6.095 3.128 3.152 1.00 0.00 C ATOM 0 H ILE A 28 -3.110 0.643 2.790 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.216 2.063 0.313 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.289 3.201 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.513 2.034 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.908 1.370 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.640 4.961 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.020 4.847 1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.425 4.160 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.017 2.559 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.690 3.373 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.305 4.048 2.606 1.00 0.00 H new ATOM 460 N GLY A 29 -1.004 3.146 0.077 1.00 0.00 N ATOM 461 CA GLY A 29 0.319 3.719 -0.104 1.00 0.00 C ATOM 462 C GLY A 29 0.595 4.884 0.822 1.00 0.00 C ATOM 463 O GLY A 29 1.730 5.079 1.255 1.00 0.00 O ATOM 0 H GLY A 29 -1.565 3.094 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.069 2.946 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.426 4.051 -1.137 1.00 0.00 H new ATOM 467 N SER A 30 -0.435 5.654 1.140 1.00 0.00 N ATOM 468 CA SER A 30 -0.274 6.788 2.036 1.00 0.00 C ATOM 469 C SER A 30 0.157 6.306 3.417 1.00 0.00 C ATOM 470 O SER A 30 0.993 6.931 4.080 1.00 0.00 O ATOM 471 CB SER A 30 -1.580 7.579 2.139 1.00 0.00 C ATOM 472 OG SER A 30 -2.559 6.852 2.862 1.00 0.00 O ATOM 0 H SER A 30 -1.384 5.516 0.794 1.00 0.00 H new ATOM 0 HA SER A 30 0.498 7.444 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.393 8.533 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.953 7.804 1.140 1.00 0.00 H new ATOM 0 HG SER A 30 -3.384 7.378 2.916 1.00 0.00 H new ATOM 478 N GLU A 31 -0.409 5.178 3.841 1.00 0.00 N ATOM 479 CA GLU A 31 -0.082 4.602 5.135 1.00 0.00 C ATOM 480 C GLU A 31 1.320 4.012 5.115 1.00 0.00 C ATOM 481 O GLU A 31 2.102 4.207 6.046 1.00 0.00 O ATOM 482 CB GLU A 31 -1.107 3.534 5.520 1.00 0.00 C ATOM 483 CG GLU A 31 -2.230 4.064 6.394 1.00 0.00 C ATOM 484 CD GLU A 31 -1.913 3.966 7.873 1.00 0.00 C ATOM 485 OE1 GLU A 31 -2.079 2.868 8.445 1.00 0.00 O ATOM 486 OE2 GLU A 31 -1.498 4.988 8.460 1.00 0.00 O ATOM 0 H GLU A 31 -1.096 4.648 3.304 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.112 5.394 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.534 3.106 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.599 2.725 6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.426 5.105 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.143 3.507 6.184 1.00 0.00 H new ATOM 493 N VAL A 32 1.636 3.307 4.038 1.00 0.00 N ATOM 494 CA VAL A 32 2.952 2.707 3.884 1.00 0.00 C ATOM 495 C VAL A 32 4.016 3.793 3.811 1.00 0.00 C ATOM 496 O VAL A 32 5.093 3.670 4.397 1.00 0.00 O ATOM 497 CB VAL A 32 3.031 1.830 2.618 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.377 1.126 2.536 1.00 0.00 C ATOM 499 CG2 VAL A 32 1.892 0.823 2.595 1.00 0.00 C ATOM 0 H VAL A 32 0.999 3.137 3.259 1.00 0.00 H new ATOM 0 HA VAL A 32 3.128 2.073 4.753 1.00 0.00 H new ATOM 0 HB VAL A 32 2.933 2.476 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.412 0.512 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.174 1.868 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.510 0.492 3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.964 0.213 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.956 0.182 3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.939 1.352 2.600 1.00 0.00 H new ATOM 509 N GLY A 33 3.695 4.864 3.092 1.00 0.00 N ATOM 510 CA GLY A 33 4.622 5.969 2.956 1.00 0.00 C ATOM 511 C GLY A 33 4.968 6.588 4.294 1.00 0.00 C ATOM 512 O GLY A 33 6.144 6.757 4.620 1.00 0.00 O ATOM 0 H GLY A 33 2.809 4.985 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.534 5.620 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.187 6.729 2.307 1.00 0.00 H new ATOM 516 N ASN A 34 3.948 6.915 5.083 1.00 0.00 N ATOM 517 CA ASN A 34 4.184 7.503 6.395 1.00 0.00 C ATOM 518 C ASN A 34 4.948 6.523 7.280 1.00 0.00 C ATOM 519 O ASN A 34 5.759 6.925 8.113 1.00 0.00 O ATOM 520 CB ASN A 34 2.871 7.943 7.058 1.00 0.00 C ATOM 521 CG ASN A 34 1.982 6.788 7.486 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.457 5.757 7.959 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.675 6.965 7.333 1.00 0.00 N ATOM 0 H ASN A 34 2.966 6.785 4.841 1.00 0.00 H new ATOM 0 HA ASN A 34 4.792 8.398 6.264 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.103 8.554 7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.319 8.576 6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.025 6.230 7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.321 7.836 6.936 1.00 0.00 H new ATOM 530 N TYR A 35 4.686 5.232 7.087 1.00 0.00 N ATOM 531 CA TYR A 35 5.351 4.192 7.859 1.00 0.00 C ATOM 532 C TYR A 35 6.856 4.228 7.630 1.00 0.00 C ATOM 533 O TYR A 35 7.643 4.119 8.571 1.00 0.00 O ATOM 534 CB TYR A 35 4.794 2.826 7.460 1.00 0.00 C ATOM 535 CG TYR A 35 5.131 1.729 8.432 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.436 0.451 7.990 1.00 0.00 C ATOM 537 CD2 TYR A 35 5.144 1.974 9.795 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.744 -0.554 8.883 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.452 0.978 10.694 1.00 0.00 C ATOM 540 CZ TYR A 35 5.753 -0.286 10.236 1.00 0.00 C ATOM 541 OH TYR A 35 6.060 -1.285 11.131 1.00 0.00 O ATOM 0 H TYR A 35 4.016 4.884 6.401 1.00 0.00 H new ATOM 0 HA TYR A 35 5.163 4.367 8.918 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.710 2.898 7.368 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.180 2.559 6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.432 0.239 6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.909 2.963 10.159 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.977 -1.546 8.525 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.458 1.187 11.754 1.00 0.00 H new ATOM 0 HH TYR A 35 6.022 -0.930 12.044 1.00 0.00 H new ATOM 551 N LEU A 36 7.249 4.399 6.374 1.00 0.00 N ATOM 552 CA LEU A 36 8.662 4.471 6.020 1.00 0.00 C ATOM 553 C LEU A 36 9.153 5.919 6.028 1.00 0.00 C ATOM 554 O LEU A 36 10.338 6.183 5.819 1.00 0.00 O ATOM 555 CB LEU A 36 8.905 3.845 4.645 1.00 0.00 C ATOM 556 CG LEU A 36 8.473 2.382 4.514 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.350 2.237 3.497 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.658 1.507 4.131 1.00 0.00 C ATOM 0 H LEU A 36 6.610 4.490 5.584 1.00 0.00 H new ATOM 0 HA LEU A 36 9.223 3.910 6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.375 4.433 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.968 3.916 4.413 1.00 0.00 H new ATOM 0 HG LEU A 36 8.098 2.051 5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.060 1.189 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.492 2.829 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.692 2.590 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.332 0.471 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.064 1.842 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.428 1.581 4.899 1.00 0.00 H new ATOM 570 N ARG A 37 8.236 6.855 6.273 1.00 0.00 N ATOM 571 CA ARG A 37 8.570 8.276 6.311 1.00 0.00 C ATOM 572 C ARG A 37 8.945 8.794 4.927 1.00 0.00 C ATOM 573 O ARG A 37 9.731 9.732 4.797 1.00 0.00 O ATOM 574 CB ARG A 37 9.716 8.532 7.293 1.00 0.00 C ATOM 575 CG ARG A 37 9.513 9.767 8.156 1.00 0.00 C ATOM 576 CD ARG A 37 8.424 9.549 9.194 1.00 0.00 C ATOM 577 NE ARG A 37 8.977 9.275 10.519 1.00 0.00 N ATOM 578 CZ ARG A 37 9.418 10.219 11.347 1.00 0.00 C ATOM 579 NH1 ARG A 37 9.376 11.498 10.993 1.00 0.00 N ATOM 580 NH2 ARG A 37 9.903 9.884 12.536 1.00 0.00 N ATOM 0 H ARG A 37 7.252 6.652 6.449 1.00 0.00 H new ATOM 0 HA ARG A 37 7.685 8.815 6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.831 7.662 7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.646 8.638 6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.448 10.020 8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.250 10.615 7.524 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.787 10.432 9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.791 8.717 8.886 1.00 0.00 H new ATOM 0 HE ARG A 37 9.028 8.304 10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.004 11.763 10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.716 12.216 11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.938 8.903 12.815 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.241 10.607 13.171 1.00 0.00 H new ATOM 594 N MET A 38 8.365 8.189 3.896 1.00 0.00 N ATOM 595 CA MET A 38 8.630 8.607 2.526 1.00 0.00 C ATOM 596 C MET A 38 7.484 9.469 2.010 1.00 0.00 C ATOM 597 O MET A 38 6.321 9.069 2.067 1.00 0.00 O ATOM 598 CB MET A 38 8.821 7.387 1.622 1.00 0.00 C ATOM 599 CG MET A 38 10.087 6.600 1.924 1.00 0.00 C ATOM 600 SD MET A 38 10.171 5.044 1.016 1.00 0.00 S ATOM 601 CE MET A 38 11.796 5.173 0.275 1.00 0.00 C ATOM 0 H MET A 38 7.711 7.411 3.983 1.00 0.00 H new ATOM 0 HA MET A 38 9.548 9.195 2.513 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.959 6.728 1.728 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.846 7.715 0.583 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.956 7.209 1.675 1.00 0.00 H new ATOM 0 HG3 MET A 38 10.136 6.395 2.993 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.040 4.240 -0.232 1.00 0.00 H new ATOM 0 HE2 MET A 38 11.803 5.990 -0.446 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.536 5.368 1.052 1.00 0.00 H new ATOM 611 N PHE A 39 7.816 10.656 1.517 1.00 0.00 N ATOM 612 CA PHE A 39 6.807 11.577 1.004 1.00 0.00 C ATOM 613 C PHE A 39 7.141 12.023 -0.415 1.00 0.00 C ATOM 614 O PHE A 39 8.217 11.723 -0.933 1.00 0.00 O ATOM 615 CB PHE A 39 6.686 12.791 1.930 1.00 0.00 C ATOM 616 CG PHE A 39 6.810 12.442 3.388 1.00 0.00 C ATOM 617 CD1 PHE A 39 5.683 12.168 4.148 1.00 0.00 C ATOM 618 CD2 PHE A 39 8.053 12.381 3.995 1.00 0.00 C ATOM 619 CE1 PHE A 39 5.794 11.840 5.485 1.00 0.00 C ATOM 620 CE2 PHE A 39 8.172 12.053 5.333 1.00 0.00 C ATOM 621 CZ PHE A 39 7.041 11.782 6.079 1.00 0.00 C ATOM 0 H PHE A 39 8.773 11.004 1.461 1.00 0.00 H new ATOM 0 HA PHE A 39 5.851 11.055 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.458 13.516 1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.724 13.275 1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.706 12.212 3.689 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.940 12.592 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.908 11.629 6.066 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.148 12.009 5.794 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.131 11.525 7.124 1.00 0.00 H new ATOM 631 N ARG A 40 6.212 12.741 -1.039 1.00 0.00 N ATOM 632 CA ARG A 40 6.406 13.226 -2.401 1.00 0.00 C ATOM 633 C ARG A 40 6.672 12.067 -3.357 1.00 0.00 C ATOM 634 O ARG A 40 7.567 12.134 -4.200 1.00 0.00 O ATOM 635 CB ARG A 40 7.569 14.220 -2.449 1.00 0.00 C ATOM 636 CG ARG A 40 7.308 15.500 -1.670 1.00 0.00 C ATOM 637 CD ARG A 40 8.311 15.685 -0.542 1.00 0.00 C ATOM 638 NE ARG A 40 8.095 16.936 0.182 1.00 0.00 N ATOM 639 CZ ARG A 40 8.580 17.181 1.397 1.00 0.00 C ATOM 640 NH1 ARG A 40 9.308 16.267 2.026 1.00 0.00 N ATOM 641 NH2 ARG A 40 8.337 18.345 1.985 1.00 0.00 N ATOM 0 H ARG A 40 5.317 13.000 -0.623 1.00 0.00 H new ATOM 0 HA ARG A 40 5.493 13.731 -2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.463 13.739 -2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.777 14.473 -3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.358 16.354 -2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.299 15.477 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.236 14.847 0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.322 15.672 -0.950 1.00 0.00 H new ATOM 0 HE ARG A 40 7.541 17.663 -0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.499 15.371 1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.677 16.461 2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.779 19.052 1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.708 18.533 2.916 1.00 0.00 H new ATOM 655 N GLY A 41 5.892 11.000 -3.213 1.00 0.00 N ATOM 656 CA GLY A 41 6.060 9.839 -4.065 1.00 0.00 C ATOM 657 C GLY A 41 7.422 9.191 -3.896 1.00 0.00 C ATOM 658 O GLY A 41 7.887 8.470 -4.777 1.00 0.00 O ATOM 0 H GLY A 41 5.147 10.920 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.283 9.109 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.927 10.133 -5.106 1.00 0.00 H new ATOM 662 N SER A 42 8.061 9.450 -2.758 1.00 0.00 N ATOM 663 CA SER A 42 9.376 8.889 -2.474 1.00 0.00 C ATOM 664 C SER A 42 9.324 7.365 -2.437 1.00 0.00 C ATOM 665 O SER A 42 10.279 6.693 -2.825 1.00 0.00 O ATOM 666 CB SER A 42 9.906 9.426 -1.143 1.00 0.00 C ATOM 667 OG SER A 42 10.703 10.580 -1.338 1.00 0.00 O ATOM 0 H SER A 42 7.688 10.045 -2.018 1.00 0.00 H new ATOM 0 HA SER A 42 10.051 9.190 -3.275 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.070 9.665 -0.485 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.493 8.655 -0.645 1.00 0.00 H new ATOM 0 HG SER A 42 10.139 11.380 -1.287 1.00 0.00 H new ATOM 673 N LEU A 43 8.203 6.827 -1.967 1.00 0.00 N ATOM 674 CA LEU A 43 8.032 5.382 -1.881 1.00 0.00 C ATOM 675 C LEU A 43 8.030 4.753 -3.269 1.00 0.00 C ATOM 676 O LEU A 43 8.743 3.783 -3.524 1.00 0.00 O ATOM 677 CB LEU A 43 6.729 5.044 -1.154 1.00 0.00 C ATOM 678 CG LEU A 43 6.561 3.570 -0.778 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.008 3.329 0.655 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.116 3.132 -0.968 1.00 0.00 C ATOM 0 H LEU A 43 7.402 7.368 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 43 8.871 4.974 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.671 5.644 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.891 5.340 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 43 7.191 2.974 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.881 2.275 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.058 3.602 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.406 3.936 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.016 2.081 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.467 3.735 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.829 3.266 -2.011 1.00 0.00 H new ATOM 692 N TYR A 44 7.227 5.315 -4.166 1.00 0.00 N ATOM 693 CA TYR A 44 7.135 4.811 -5.531 1.00 0.00 C ATOM 694 C TYR A 44 8.400 5.140 -6.315 1.00 0.00 C ATOM 695 O TYR A 44 8.796 4.395 -7.212 1.00 0.00 O ATOM 696 CB TYR A 44 5.909 5.398 -6.230 1.00 0.00 C ATOM 697 CG TYR A 44 4.608 5.060 -5.539 1.00 0.00 C ATOM 698 CD1 TYR A 44 3.657 6.041 -5.286 1.00 0.00 C ATOM 699 CD2 TYR A 44 4.334 3.760 -5.134 1.00 0.00 C ATOM 700 CE1 TYR A 44 2.469 5.735 -4.649 1.00 0.00 C ATOM 701 CE2 TYR A 44 3.149 3.446 -4.499 1.00 0.00 C ATOM 702 CZ TYR A 44 2.220 4.436 -4.258 1.00 0.00 C ATOM 703 OH TYR A 44 1.038 4.128 -3.625 1.00 0.00 O ATOM 0 H TYR A 44 6.631 6.120 -3.972 1.00 0.00 H new ATOM 0 HA TYR A 44 7.031 3.727 -5.490 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.014 6.482 -6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.874 5.031 -7.256 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.849 7.059 -5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.060 2.982 -5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.740 6.509 -4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.951 2.430 -4.192 1.00 0.00 H new ATOM 0 HH TYR A 44 1.018 3.171 -3.417 1.00 0.00 H new ATOM 713 N LYS A 45 9.036 6.254 -5.966 1.00 0.00 N ATOM 714 CA LYS A 45 10.262 6.671 -6.634 1.00 0.00 C ATOM 715 C LYS A 45 11.415 5.749 -6.253 1.00 0.00 C ATOM 716 O LYS A 45 12.225 5.366 -7.098 1.00 0.00 O ATOM 717 CB LYS A 45 10.604 8.119 -6.270 1.00 0.00 C ATOM 718 CG LYS A 45 10.323 9.109 -7.388 1.00 0.00 C ATOM 719 CD LYS A 45 11.522 9.262 -8.314 1.00 0.00 C ATOM 720 CE LYS A 45 11.267 8.619 -9.667 1.00 0.00 C ATOM 721 NZ LYS A 45 12.371 8.892 -10.629 1.00 0.00 N ATOM 0 H LYS A 45 8.723 6.882 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 45 10.105 6.609 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.033 8.408 -5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.658 8.178 -6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.459 8.775 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.066 10.078 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.746 10.320 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.399 8.807 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.153 7.542 -9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.328 8.993 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.159 8.436 -11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.464 9.918 -10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.262 8.512 -10.251 1.00 0.00 H new ATOM 735 N ARG A 46 11.477 5.390 -4.975 1.00 0.00 N ATOM 736 CA ARG A 46 12.523 4.504 -4.478 1.00 0.00 C ATOM 737 C ARG A 46 12.183 3.044 -4.771 1.00 0.00 C ATOM 738 O ARG A 46 13.063 2.184 -4.793 1.00 0.00 O ATOM 739 CB ARG A 46 12.720 4.703 -2.974 1.00 0.00 C ATOM 740 CG ARG A 46 14.178 4.831 -2.563 1.00 0.00 C ATOM 741 CD ARG A 46 15.032 3.730 -3.172 1.00 0.00 C ATOM 742 NE ARG A 46 16.392 3.731 -2.637 1.00 0.00 N ATOM 743 CZ ARG A 46 17.353 4.550 -3.056 1.00 0.00 C ATOM 744 NH1 ARG A 46 17.109 5.438 -4.014 1.00 0.00 N ATOM 745 NH2 ARG A 46 18.563 4.484 -2.516 1.00 0.00 N ATOM 0 H ARG A 46 10.814 5.699 -4.264 1.00 0.00 H new ATOM 0 HA ARG A 46 13.451 4.753 -4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.183 5.598 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.274 3.862 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 46 14.560 5.803 -2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.255 4.792 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.568 2.763 -2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.068 3.856 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 46 16.618 3.064 -1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.181 5.495 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.850 6.063 -4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.756 3.805 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.300 5.112 -2.837 1.00 0.00 H new ATOM 759 N TYR A 47 10.900 2.775 -4.999 1.00 0.00 N ATOM 760 CA TYR A 47 10.439 1.423 -5.297 1.00 0.00 C ATOM 761 C TYR A 47 9.596 1.397 -6.577 1.00 0.00 C ATOM 762 O TYR A 47 8.412 1.061 -6.538 1.00 0.00 O ATOM 763 CB TYR A 47 9.606 0.881 -4.133 1.00 0.00 C ATOM 764 CG TYR A 47 10.383 0.641 -2.858 1.00 0.00 C ATOM 765 CD1 TYR A 47 10.630 -0.649 -2.413 1.00 0.00 C ATOM 766 CD2 TYR A 47 10.852 1.700 -2.091 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.315 -0.883 -1.240 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.545 1.477 -0.916 1.00 0.00 C ATOM 769 CZ TYR A 47 11.771 0.183 -0.493 1.00 0.00 C ATOM 770 OH TYR A 47 12.453 -0.043 0.681 1.00 0.00 O ATOM 0 H TYR A 47 10.160 3.477 -4.983 1.00 0.00 H new ATOM 0 HA TYR A 47 11.318 0.796 -5.444 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.799 1.583 -3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.142 -0.056 -4.441 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.279 -1.487 -2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.672 2.714 -2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.494 -1.895 -0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.907 2.310 -0.332 1.00 0.00 H new ATOM 0 HH TYR A 47 12.656 -0.998 0.763 1.00 0.00 H new ATOM 780 N PRO A 48 10.187 1.755 -7.732 1.00 0.00 N ATOM 781 CA PRO A 48 9.467 1.772 -9.013 1.00 0.00 C ATOM 782 C PRO A 48 8.969 0.392 -9.433 1.00 0.00 C ATOM 783 O PRO A 48 8.022 0.278 -10.212 1.00 0.00 O ATOM 784 CB PRO A 48 10.511 2.285 -10.013 1.00 0.00 C ATOM 785 CG PRO A 48 11.552 2.948 -9.180 1.00 0.00 C ATOM 786 CD PRO A 48 11.587 2.181 -7.891 1.00 0.00 C ATOM 0 HA PRO A 48 8.571 2.389 -8.954 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.934 1.467 -10.596 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.068 2.985 -10.721 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.523 2.926 -9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.306 3.996 -9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.266 1.330 -7.944 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.919 2.802 -7.059 1.00 0.00 H new ATOM 794 N SER A 49 9.610 -0.655 -8.923 1.00 0.00 N ATOM 795 CA SER A 49 9.222 -2.022 -9.263 1.00 0.00 C ATOM 796 C SER A 49 8.124 -2.543 -8.337 1.00 0.00 C ATOM 797 O SER A 49 7.778 -3.723 -8.378 1.00 0.00 O ATOM 798 CB SER A 49 10.436 -2.949 -9.201 1.00 0.00 C ATOM 799 OG SER A 49 11.318 -2.568 -8.160 1.00 0.00 O ATOM 0 H SER A 49 10.396 -0.585 -8.277 1.00 0.00 H new ATOM 0 HA SER A 49 8.828 -2.008 -10.279 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.105 -3.976 -9.044 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.963 -2.926 -10.155 1.00 0.00 H new ATOM 0 HG SER A 49 12.076 -3.188 -8.130 1.00 0.00 H new ATOM 805 N LEU A 50 7.578 -1.664 -7.500 1.00 0.00 N ATOM 806 CA LEU A 50 6.525 -2.050 -6.571 1.00 0.00 C ATOM 807 C LEU A 50 5.146 -1.886 -7.204 1.00 0.00 C ATOM 808 O LEU A 50 4.890 -0.919 -7.919 1.00 0.00 O ATOM 809 CB LEU A 50 6.616 -1.209 -5.298 1.00 0.00 C ATOM 810 CG LEU A 50 6.277 -1.947 -4.003 1.00 0.00 C ATOM 811 CD1 LEU A 50 7.460 -2.782 -3.543 1.00 0.00 C ATOM 812 CD2 LEU A 50 5.869 -0.959 -2.922 1.00 0.00 C ATOM 0 H LEU A 50 7.848 -0.682 -7.448 1.00 0.00 H new ATOM 0 HA LEU A 50 6.663 -3.102 -6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.628 -0.811 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.945 -0.356 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 50 5.438 -2.616 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.202 -3.301 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.711 -3.513 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.317 -2.132 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.631 -1.500 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.690 -0.268 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.993 -0.400 -3.252 1.00 0.00 H new ATOM 824 N TRP A 51 4.261 -2.841 -6.933 1.00 0.00 N ATOM 825 CA TRP A 51 2.907 -2.804 -7.472 1.00 0.00 C ATOM 826 C TRP A 51 2.097 -1.687 -6.827 1.00 0.00 C ATOM 827 O TRP A 51 1.888 -1.680 -5.615 1.00 0.00 O ATOM 828 CB TRP A 51 2.200 -4.145 -7.243 1.00 0.00 C ATOM 829 CG TRP A 51 0.806 -4.181 -7.799 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.412 -4.691 -9.003 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.377 -3.679 -7.170 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.946 -4.532 -9.160 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.452 -3.914 -8.047 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.631 -3.053 -5.948 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.758 -3.544 -7.738 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -1.925 -2.687 -5.642 1.00 0.00 C ATOM 837 CH2 TRP A 51 -2.975 -2.932 -6.533 1.00 0.00 C ATOM 0 H TRP A 51 4.458 -3.650 -6.343 1.00 0.00 H new ATOM 0 HA TRP A 51 2.980 -2.615 -8.543 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.787 -4.941 -7.701 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.163 -4.351 -6.173 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.069 -5.151 -9.726 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.488 -4.826 -9.973 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.173 -2.859 -5.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.570 -3.733 -8.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.131 -2.203 -4.699 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -3.977 -2.632 -6.265 1.00 0.00 H new ATOM 848 N ARG A 52 1.635 -0.747 -7.642 1.00 0.00 N ATOM 849 CA ARG A 52 0.836 0.365 -7.145 1.00 0.00 C ATOM 850 C ARG A 52 -0.310 0.672 -8.103 1.00 0.00 C ATOM 851 O ARG A 52 -0.125 0.675 -9.320 1.00 0.00 O ATOM 852 CB ARG A 52 1.709 1.608 -6.956 1.00 0.00 C ATOM 853 CG ARG A 52 2.588 1.922 -8.156 1.00 0.00 C ATOM 854 CD ARG A 52 1.898 2.876 -9.119 1.00 0.00 C ATOM 855 NE ARG A 52 2.047 2.452 -10.510 1.00 0.00 N ATOM 856 CZ ARG A 52 3.176 2.569 -11.204 1.00 0.00 C ATOM 857 NH1 ARG A 52 4.258 3.098 -10.642 1.00 0.00 N ATOM 858 NH2 ARG A 52 3.227 2.157 -12.463 1.00 0.00 N ATOM 0 H ARG A 52 1.800 -0.733 -8.649 1.00 0.00 H new ATOM 0 HA ARG A 52 0.417 0.080 -6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.067 2.465 -6.752 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.342 1.468 -6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.526 2.362 -7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.839 0.998 -8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.839 2.939 -8.871 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.313 3.876 -8.998 1.00 0.00 H new ATOM 0 HE ARG A 52 1.238 2.042 -10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.226 3.417 -9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.121 3.185 -11.179 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.400 1.750 -12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.093 2.247 -12.994 1.00 0.00 H new ATOM 872 N ARG A 53 -1.491 0.938 -7.553 1.00 0.00 N ATOM 873 CA ARG A 53 -2.651 1.252 -8.379 1.00 0.00 C ATOM 874 C ARG A 53 -3.666 2.100 -7.612 1.00 0.00 C ATOM 875 O ARG A 53 -3.686 2.097 -6.383 1.00 0.00 O ATOM 876 CB ARG A 53 -3.297 -0.038 -8.912 1.00 0.00 C ATOM 877 CG ARG A 53 -4.446 -0.573 -8.065 1.00 0.00 C ATOM 878 CD ARG A 53 -5.794 -0.252 -8.686 1.00 0.00 C ATOM 879 NE ARG A 53 -6.730 -1.367 -8.566 1.00 0.00 N ATOM 880 CZ ARG A 53 -7.822 -1.503 -9.315 1.00 0.00 C ATOM 881 NH1 ARG A 53 -8.119 -0.596 -10.239 1.00 0.00 N ATOM 882 NH2 ARG A 53 -8.619 -2.547 -9.141 1.00 0.00 N ATOM 0 H ARG A 53 -1.669 0.943 -6.549 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.311 1.841 -9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.663 0.146 -9.922 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.529 -0.808 -8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.344 -1.652 -7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.393 -0.142 -7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.216 0.629 -8.202 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.659 -0.004 -9.739 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.535 -2.084 -7.867 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.509 0.210 -10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.957 -0.705 -10.810 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.396 -3.247 -8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.456 -2.651 -9.715 1.00 0.00 H new ATOM 896 N LEU A 54 -4.505 2.820 -8.347 1.00 0.00 N ATOM 897 CA LEU A 54 -5.521 3.668 -7.736 1.00 0.00 C ATOM 898 C LEU A 54 -6.867 2.952 -7.694 1.00 0.00 C ATOM 899 O LEU A 54 -7.322 2.405 -8.699 1.00 0.00 O ATOM 900 CB LEU A 54 -5.651 4.978 -8.512 1.00 0.00 C ATOM 901 CG LEU A 54 -4.672 6.073 -8.093 1.00 0.00 C ATOM 902 CD1 LEU A 54 -3.858 6.554 -9.284 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.411 7.235 -7.444 1.00 0.00 C ATOM 0 H LEU A 54 -4.502 2.834 -9.367 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.213 3.888 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.510 4.771 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.667 5.354 -8.394 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.985 5.651 -7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.168 7.334 -8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.294 5.719 -9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.528 6.954 -10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.696 8.004 -7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.125 7.654 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.942 6.881 -6.561 1.00 0.00 H new ATOM 915 N ALA A 55 -7.501 2.959 -6.526 1.00 0.00 N ATOM 916 CA ALA A 55 -8.792 2.304 -6.356 1.00 0.00 C ATOM 917 C ALA A 55 -9.935 3.192 -6.836 1.00 0.00 C ATOM 918 O ALA A 55 -9.862 4.417 -6.754 1.00 0.00 O ATOM 919 CB ALA A 55 -9.001 1.918 -4.899 1.00 0.00 C ATOM 0 H ALA A 55 -7.142 3.410 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.791 1.401 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.969 1.430 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.212 1.234 -4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.972 2.813 -4.278 1.00 0.00 H new ATOM 925 N THR A 56 -10.996 2.559 -7.326 1.00 0.00 N ATOM 926 CA THR A 56 -12.166 3.281 -7.809 1.00 0.00 C ATOM 927 C THR A 56 -12.937 3.877 -6.641 1.00 0.00 C ATOM 928 O THR A 56 -12.697 3.521 -5.490 1.00 0.00 O ATOM 929 CB THR A 56 -13.080 2.340 -8.594 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.783 1.483 -7.710 1.00 0.00 O ATOM 931 CG2 THR A 56 -12.341 1.472 -9.589 1.00 0.00 C ATOM 0 H THR A 56 -11.069 1.544 -7.399 1.00 0.00 H new ATOM 0 HA THR A 56 -11.829 4.085 -8.464 1.00 0.00 H new ATOM 0 HB THR A 56 -13.760 2.988 -9.146 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.365 0.887 -8.226 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.051 0.830 -10.110 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.826 2.105 -10.312 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.612 0.855 -9.063 1.00 0.00 H new ATOM 939 N VAL A 57 -13.876 4.772 -6.936 1.00 0.00 N ATOM 940 CA VAL A 57 -14.680 5.393 -5.890 1.00 0.00 C ATOM 941 C VAL A 57 -15.326 4.322 -5.019 1.00 0.00 C ATOM 942 O VAL A 57 -15.439 4.473 -3.801 1.00 0.00 O ATOM 943 CB VAL A 57 -15.779 6.296 -6.482 1.00 0.00 C ATOM 944 CG1 VAL A 57 -16.494 7.061 -5.379 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.188 7.252 -7.507 1.00 0.00 C ATOM 0 H VAL A 57 -14.097 5.081 -7.883 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.014 6.010 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.510 5.665 -6.986 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.267 7.693 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -16.952 6.356 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.777 7.683 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -15.978 7.882 -7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -14.435 7.878 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -14.727 6.681 -8.313 1.00 0.00 H new ATOM 955 N GLU A 58 -15.726 3.228 -5.657 1.00 0.00 N ATOM 956 CA GLU A 58 -16.338 2.114 -4.951 1.00 0.00 C ATOM 957 C GLU A 58 -15.296 1.413 -4.089 1.00 0.00 C ATOM 958 O GLU A 58 -15.556 1.066 -2.938 1.00 0.00 O ATOM 959 CB GLU A 58 -16.957 1.125 -5.943 1.00 0.00 C ATOM 960 CG GLU A 58 -18.476 1.101 -5.910 1.00 0.00 C ATOM 961 CD GLU A 58 -19.072 0.335 -7.075 1.00 0.00 C ATOM 962 OE1 GLU A 58 -18.836 0.738 -8.233 1.00 0.00 O ATOM 963 OE2 GLU A 58 -19.774 -0.668 -6.829 1.00 0.00 O ATOM 0 H GLU A 58 -15.636 3.091 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.131 2.498 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -16.628 1.380 -6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -16.581 0.125 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.808 0.650 -4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.852 2.124 -5.922 1.00 0.00 H new ATOM 970 N GLU A 59 -14.106 1.221 -4.655 1.00 0.00 N ATOM 971 CA GLU A 59 -13.018 0.575 -3.935 1.00 0.00 C ATOM 972 C GLU A 59 -12.642 1.383 -2.698 1.00 0.00 C ATOM 973 O GLU A 59 -12.480 0.831 -1.611 1.00 0.00 O ATOM 974 CB GLU A 59 -11.799 0.414 -4.847 1.00 0.00 C ATOM 975 CG GLU A 59 -11.898 -0.774 -5.789 1.00 0.00 C ATOM 976 CD GLU A 59 -10.645 -0.965 -6.620 1.00 0.00 C ATOM 977 OE1 GLU A 59 -10.367 -0.104 -7.481 1.00 0.00 O ATOM 978 OE2 GLU A 59 -9.941 -1.975 -6.410 1.00 0.00 O ATOM 0 H GLU A 59 -13.874 1.504 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.354 -0.412 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.672 1.323 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.906 0.305 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.086 -1.678 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.752 -0.637 -6.452 1.00 0.00 H new ATOM 985 N ARG A 60 -12.515 2.698 -2.868 1.00 0.00 N ATOM 986 CA ARG A 60 -12.167 3.579 -1.759 1.00 0.00 C ATOM 987 C ARG A 60 -13.226 3.505 -0.670 1.00 0.00 C ATOM 988 O ARG A 60 -12.905 3.453 0.517 1.00 0.00 O ATOM 989 CB ARG A 60 -12.015 5.024 -2.244 1.00 0.00 C ATOM 990 CG ARG A 60 -11.080 5.179 -3.433 1.00 0.00 C ATOM 991 CD ARG A 60 -10.641 6.625 -3.612 1.00 0.00 C ATOM 992 NE ARG A 60 -11.309 7.263 -4.747 1.00 0.00 N ATOM 993 CZ ARG A 60 -10.772 7.386 -5.960 1.00 0.00 C ATOM 994 NH1 ARG A 60 -9.561 6.906 -6.216 1.00 0.00 N ATOM 995 NH2 ARG A 60 -11.454 7.991 -6.924 1.00 0.00 N ATOM 0 H ARG A 60 -12.648 3.174 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.214 3.247 -1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.997 5.412 -2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.646 5.636 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.204 4.546 -3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.580 4.835 -4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.857 7.185 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.562 6.661 -3.759 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.246 7.638 -4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.032 6.437 -5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.159 7.006 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.386 8.360 -6.735 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.046 8.087 -7.854 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.494 3.484 -1.077 1.00 0.00 N ATOM 1010 CA LYS A 61 -15.590 3.396 -0.120 1.00 0.00 C ATOM 1011 C LYS A 61 -15.429 2.140 0.728 1.00 0.00 C ATOM 1012 O LYS A 61 -15.557 2.179 1.952 1.00 0.00 O ATOM 1013 CB LYS A 61 -16.936 3.372 -0.845 1.00 0.00 C ATOM 1014 CG LYS A 61 -17.505 4.754 -1.119 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.227 4.805 -2.456 1.00 0.00 C ATOM 1016 CE LYS A 61 -19.494 5.640 -2.375 1.00 0.00 C ATOM 1017 NZ LYS A 61 -19.689 6.473 -3.594 1.00 0.00 N ATOM 0 H LYS A 61 -14.784 3.526 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.564 4.273 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.820 2.842 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.651 2.806 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.195 5.029 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.699 5.488 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.563 5.222 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.477 3.793 -2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.354 4.983 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.448 6.285 -1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.564 7.027 -3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -18.881 7.118 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.759 5.856 -4.428 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.119 1.032 0.063 1.00 0.00 N ATOM 1032 CA LYS A 62 -14.910 -0.236 0.745 1.00 0.00 C ATOM 1033 C LYS A 62 -13.640 -0.174 1.587 1.00 0.00 C ATOM 1034 O LYS A 62 -13.563 -0.768 2.661 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.810 -1.377 -0.270 1.00 0.00 C ATOM 1036 CG LYS A 62 -16.143 -1.753 -0.897 1.00 0.00 C ATOM 1037 CD LYS A 62 -16.029 -1.913 -2.407 1.00 0.00 C ATOM 1038 CE LYS A 62 -16.514 -3.280 -2.862 1.00 0.00 C ATOM 1039 NZ LYS A 62 -17.937 -3.516 -2.495 1.00 0.00 N ATOM 0 H LYS A 62 -15.007 0.989 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.761 -0.424 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.115 -1.090 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.389 -2.254 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.502 -2.684 -0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.883 -0.986 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -16.612 -1.136 -2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.991 -1.774 -2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.399 -3.364 -3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.891 -4.054 -2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.348 -4.225 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.990 -3.862 -1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -18.469 -2.626 -2.577 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.240 6.977 -3.294 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.634 5.934 -2.475 1.00 0.00 C ATOM 1431 C VAL A 88 -5.640 5.101 -3.279 1.00 0.00 C ATOM 1432 O VAL A 88 -6.005 4.460 -4.268 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.702 4.999 -1.875 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -7.069 4.012 -0.906 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.794 5.805 -1.189 1.00 0.00 C ATOM 0 HA VAL A 88 -6.105 6.439 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.157 4.432 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.840 3.361 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.329 3.409 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.584 4.557 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.539 5.127 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.357 6.402 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.270 6.465 -1.915 1.00 0.00 H new ATOM 1445 N THR A 89 -4.386 5.105 -2.839 1.00 0.00 N ATOM 1446 CA THR A 89 -3.336 4.341 -3.502 1.00 0.00 C ATOM 1447 C THR A 89 -3.233 2.951 -2.887 1.00 0.00 C ATOM 1448 O THR A 89 -3.249 2.804 -1.668 1.00 0.00 O ATOM 1449 CB THR A 89 -1.994 5.066 -3.392 1.00 0.00 C ATOM 1450 OG1 THR A 89 -1.707 5.391 -2.043 1.00 0.00 O ATOM 1451 CG2 THR A 89 -1.938 6.348 -4.196 1.00 0.00 C ATOM 0 H THR A 89 -4.072 5.631 -2.023 1.00 0.00 H new ATOM 0 HA THR A 89 -3.591 4.244 -4.557 1.00 0.00 H new ATOM 0 HB THR A 89 -1.257 4.371 -3.795 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.844 5.852 -1.994 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.959 6.812 -4.074 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.104 6.124 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.710 7.032 -3.844 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.146 1.932 -3.734 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.064 0.557 -3.257 1.00 0.00 C ATOM 1461 C LEU A 90 -1.719 -0.080 -3.588 1.00 0.00 C ATOM 1462 O LEU A 90 -1.121 0.204 -4.627 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.191 -0.278 -3.865 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.489 -0.286 -3.058 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.442 0.779 -3.573 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -6.141 -1.658 -3.108 1.00 0.00 C ATOM 0 H LEU A 90 -3.130 2.031 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.166 0.581 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.404 0.098 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.843 -1.305 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.250 -0.059 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.361 0.759 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.975 1.760 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.675 0.583 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.064 -1.644 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.367 -1.916 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.461 -2.400 -2.690 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.263 -0.953 -2.693 1.00 0.00 N ATOM 1479 CA LEU A 91 0.003 -1.656 -2.869 1.00 0.00 C ATOM 1480 C LEU A 91 -0.165 -3.142 -2.555 1.00 0.00 C ATOM 1481 O LEU A 91 -1.056 -3.525 -1.794 1.00 0.00 O ATOM 1482 CB LEU A 91 1.069 -1.050 -1.961 1.00 0.00 C ATOM 1483 CG LEU A 91 1.700 0.245 -2.475 1.00 0.00 C ATOM 1484 CD1 LEU A 91 2.096 1.142 -1.311 1.00 0.00 C ATOM 1485 CD2 LEU A 91 2.908 -0.061 -3.349 1.00 0.00 C ATOM 0 H LEU A 91 -1.757 -1.191 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 91 0.318 -1.551 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.625 -0.857 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.859 -1.786 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 91 0.963 0.772 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.543 2.059 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.211 1.388 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.817 0.622 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.344 0.872 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.649 -0.609 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.597 -0.665 -4.201 1.00 0.00 H new ATOM 1497 N LYS A 92 0.689 -3.979 -3.143 1.00 0.00 N ATOM 1498 CA LYS A 92 0.618 -5.422 -2.920 1.00 0.00 C ATOM 1499 C LYS A 92 1.079 -5.780 -1.507 1.00 0.00 C ATOM 1500 O LYS A 92 2.212 -5.493 -1.119 1.00 0.00 O ATOM 1501 CB LYS A 92 1.479 -6.152 -3.952 1.00 0.00 C ATOM 1502 CG LYS A 92 0.841 -6.233 -5.328 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.336 -7.196 -5.349 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.161 -8.270 -6.409 1.00 0.00 C ATOM 1505 NZ LYS A 92 0.345 -9.545 -5.830 1.00 0.00 N ATOM 0 H LYS A 92 1.434 -3.685 -3.774 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.420 -5.735 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.440 -5.644 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.682 -7.162 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.505 -5.242 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.586 -6.554 -6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.442 -7.664 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.256 -6.643 -5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.115 -8.450 -6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.533 -7.917 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.451 -10.252 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.267 -9.380 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.329 -9.896 -5.120 1.00 0.00 H new ATOM 1519 N ALA A 93 0.191 -6.421 -0.748 1.00 0.00 N ATOM 1520 CA ALA A 93 0.494 -6.820 0.625 1.00 0.00 C ATOM 1521 C ALA A 93 1.829 -7.545 0.723 1.00 0.00 C ATOM 1522 O ALA A 93 2.691 -7.175 1.522 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.620 -7.697 1.177 1.00 0.00 C ATOM 0 H ALA A 93 -0.746 -6.675 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 93 0.567 -5.911 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.382 -7.987 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.559 -7.143 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.719 -8.590 0.560 1.00 0.00 H new ATOM 1529 N SER A 94 1.992 -8.580 -0.086 1.00 0.00 N ATOM 1530 CA SER A 94 3.220 -9.361 -0.088 1.00 0.00 C ATOM 1531 C SER A 94 4.433 -8.479 -0.359 1.00 0.00 C ATOM 1532 O SER A 94 5.518 -8.718 0.174 1.00 0.00 O ATOM 1533 CB SER A 94 3.141 -10.473 -1.135 1.00 0.00 C ATOM 1534 OG SER A 94 2.174 -11.445 -0.776 1.00 0.00 O ATOM 0 H SER A 94 1.288 -8.900 -0.751 1.00 0.00 H new ATOM 0 HA SER A 94 3.334 -9.807 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.888 -10.046 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.117 -10.948 -1.240 1.00 0.00 H new ATOM 0 HG SER A 94 2.142 -12.144 -1.462 1.00 0.00 H new ATOM 1540 N GLU A 95 4.249 -7.454 -1.186 1.00 0.00 N ATOM 1541 CA GLU A 95 5.340 -6.548 -1.515 1.00 0.00 C ATOM 1542 C GLU A 95 5.733 -5.714 -0.303 1.00 0.00 C ATOM 1543 O GLU A 95 6.911 -5.625 0.051 1.00 0.00 O ATOM 1544 CB GLU A 95 4.947 -5.651 -2.687 1.00 0.00 C ATOM 1545 CG GLU A 95 4.960 -6.381 -4.022 1.00 0.00 C ATOM 1546 CD GLU A 95 5.416 -5.499 -5.166 1.00 0.00 C ATOM 1547 OE1 GLU A 95 4.713 -5.454 -6.196 1.00 0.00 O ATOM 1548 OE2 GLU A 95 6.475 -4.853 -5.030 1.00 0.00 O ATOM 0 H GLU A 95 3.361 -7.233 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 95 6.206 -7.141 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.951 -5.246 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.631 -4.804 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.618 -7.247 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.960 -6.758 -4.235 1.00 0.00 H new ATOM 1555 N VAL A 96 4.737 -5.119 0.345 1.00 0.00 N ATOM 1556 CA VAL A 96 4.983 -4.313 1.530 1.00 0.00 C ATOM 1557 C VAL A 96 5.548 -5.177 2.646 1.00 0.00 C ATOM 1558 O VAL A 96 6.457 -4.768 3.367 1.00 0.00 O ATOM 1559 CB VAL A 96 3.695 -3.630 2.032 1.00 0.00 C ATOM 1560 CG1 VAL A 96 4.021 -2.586 3.088 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.928 -3.004 0.875 1.00 0.00 C ATOM 0 H VAL A 96 3.757 -5.181 0.069 1.00 0.00 H new ATOM 0 HA VAL A 96 5.701 -3.542 1.252 1.00 0.00 H new ATOM 0 HB VAL A 96 3.060 -4.391 2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.100 -2.115 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.519 -3.065 3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.679 -1.829 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.023 -2.528 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.553 -2.257 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.658 -3.778 0.157 1.00 0.00 H new ATOM 1571 N GLU A 97 5.007 -6.383 2.773 1.00 0.00 N ATOM 1572 CA GLU A 97 5.453 -7.320 3.795 1.00 0.00 C ATOM 1573 C GLU A 97 6.940 -7.612 3.649 1.00 0.00 C ATOM 1574 O GLU A 97 7.678 -7.625 4.634 1.00 0.00 O ATOM 1575 CB GLU A 97 4.650 -8.621 3.712 1.00 0.00 C ATOM 1576 CG GLU A 97 3.457 -8.660 4.654 1.00 0.00 C ATOM 1577 CD GLU A 97 3.868 -8.743 6.110 1.00 0.00 C ATOM 1578 OE1 GLU A 97 3.772 -9.844 6.692 1.00 0.00 O ATOM 1579 OE2 GLU A 97 4.285 -7.707 6.669 1.00 0.00 O ATOM 0 H GLU A 97 4.257 -6.735 2.179 1.00 0.00 H new ATOM 0 HA GLU A 97 5.286 -6.864 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.299 -8.757 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.308 -9.460 3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.849 -7.768 4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.832 -9.518 4.407 1.00 0.00 H new ATOM 1586 N GLU A 98 7.377 -7.845 2.416 1.00 0.00 N ATOM 1587 CA GLU A 98 8.781 -8.132 2.153 1.00 0.00 C ATOM 1588 C GLU A 98 9.653 -6.939 2.530 1.00 0.00 C ATOM 1589 O GLU A 98 10.658 -7.081 3.233 1.00 0.00 O ATOM 1590 CB GLU A 98 8.979 -8.462 0.675 1.00 0.00 C ATOM 1591 CG GLU A 98 8.178 -9.658 0.198 1.00 0.00 C ATOM 1592 CD GLU A 98 8.983 -10.944 0.214 1.00 0.00 C ATOM 1593 OE1 GLU A 98 9.161 -11.517 1.309 1.00 0.00 O ATOM 1594 OE2 GLU A 98 9.433 -11.376 -0.867 1.00 0.00 O ATOM 0 H GLU A 98 6.782 -7.841 1.587 1.00 0.00 H new ATOM 0 HA GLU A 98 9.075 -8.989 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.704 -7.592 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.037 -8.651 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.298 -9.777 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.820 -9.470 -0.814 1.00 0.00 H new ATOM 1601 N ILE A 99 9.252 -5.753 2.082 1.00 0.00 N ATOM 1602 CA ILE A 99 10.001 -4.543 2.392 1.00 0.00 C ATOM 1603 C ILE A 99 10.028 -4.342 3.897 1.00 0.00 C ATOM 1604 O ILE A 99 11.044 -3.950 4.469 1.00 0.00 O ATOM 1605 CB ILE A 99 9.408 -3.289 1.714 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.096 -3.563 0.240 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.375 -2.118 1.838 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.875 -2.825 -0.267 1.00 0.00 C ATOM 0 H ILE A 99 8.421 -5.606 1.509 1.00 0.00 H new ATOM 0 HA ILE A 99 11.011 -4.673 2.003 1.00 0.00 H new ATOM 0 HB ILE A 99 8.476 -3.035 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.958 -3.280 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.947 -4.634 0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.946 -1.239 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.553 -1.903 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.318 -2.372 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.714 -3.066 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.002 -3.125 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.029 -1.751 -0.161 1.00 0.00 H new ATOM 1620 N LEU A 100 8.901 -4.638 4.534 1.00 0.00 N ATOM 1621 CA LEU A 100 8.790 -4.519 5.982 1.00 0.00 C ATOM 1622 C LEU A 100 9.679 -5.556 6.661 1.00 0.00 C ATOM 1623 O LEU A 100 10.265 -5.297 7.712 1.00 0.00 O ATOM 1624 CB LEU A 100 7.337 -4.701 6.424 1.00 0.00 C ATOM 1625 CG LEU A 100 6.403 -3.532 6.104 1.00 0.00 C ATOM 1626 CD1 LEU A 100 5.090 -3.686 6.853 1.00 0.00 C ATOM 1627 CD2 LEU A 100 7.063 -2.205 6.448 1.00 0.00 C ATOM 0 H LEU A 100 8.052 -4.962 4.071 1.00 0.00 H new ATOM 0 HA LEU A 100 9.119 -3.522 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.941 -5.600 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.321 -4.873 7.500 1.00 0.00 H new ATOM 0 HG LEU A 100 6.195 -3.540 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.435 -2.847 6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.609 -4.618 6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.283 -3.704 7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.381 -1.388 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.303 -2.183 7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.979 -2.093 5.867 1.00 0.00 H new ATOM 1639 N ASP A 101 9.785 -6.729 6.039 1.00 0.00 N ATOM 1640 CA ASP A 101 10.616 -7.806 6.565 1.00 0.00 C ATOM 1641 C ASP A 101 12.088 -7.537 6.260 1.00 0.00 C ATOM 1642 O ASP A 101 12.979 -8.190 6.803 1.00 0.00 O ATOM 1643 CB ASP A 101 10.193 -9.148 5.962 1.00 0.00 C ATOM 1644 CG ASP A 101 10.590 -10.323 6.833 1.00 0.00 C ATOM 1645 OD1 ASP A 101 10.976 -11.372 6.276 1.00 0.00 O ATOM 1646 OD2 ASP A 101 10.515 -10.196 8.074 1.00 0.00 O ATOM 0 H ASP A 101 9.304 -6.956 5.169 1.00 0.00 H new ATOM 0 HA ASP A 101 10.483 -7.849 7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.113 -9.154 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.646 -9.260 4.977 1.00 0.00 H new ATOM 1651 N GLY A 102 12.327 -6.566 5.384 1.00 0.00 N ATOM 1652 CA GLY A 102 13.679 -6.204 5.003 1.00 0.00 C ATOM 1653 C GLY A 102 14.080 -6.775 3.659 1.00 0.00 C ATOM 1654 O GLY A 102 15.207 -6.576 3.205 1.00 0.00 O ATOM 0 H GLY A 102 11.598 -6.018 4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.765 -5.118 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.374 -6.557 5.765 1.00 0.00 H new ATOM 1658 N ASN A 103 13.143 -7.445 3.000 1.00 0.00 N ATOM 1659 CA ASN A 103 13.390 -7.996 1.678 1.00 0.00 C ATOM 1660 C ASN A 103 12.699 -7.127 0.637 1.00 0.00 C ATOM 1661 O ASN A 103 11.473 -7.087 0.575 1.00 0.00 O ATOM 1662 CB ASN A 103 12.880 -9.436 1.590 1.00 0.00 C ATOM 1663 CG ASN A 103 13.275 -10.112 0.293 1.00 0.00 C ATOM 1664 OD1 ASN A 103 14.348 -10.708 0.192 1.00 0.00 O ATOM 1665 ND2 ASN A 103 12.410 -10.021 -0.710 1.00 0.00 N ATOM 0 H ASN A 103 12.205 -7.619 3.362 1.00 0.00 H new ATOM 0 HA ASN A 103 14.464 -8.006 1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.273 -10.009 2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.794 -9.440 1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.623 -10.455 -1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.532 -9.517 -0.582 1.00 0.00 H new ATOM 1672 N ASP A 104 13.473 -6.417 -0.168 1.00 0.00 N ATOM 1673 CA ASP A 104 12.883 -5.547 -1.178 1.00 0.00 C ATOM 1674 C ASP A 104 13.916 -5.014 -2.162 1.00 0.00 C ATOM 1675 O ASP A 104 13.673 -4.023 -2.850 1.00 0.00 O ATOM 1676 CB ASP A 104 12.167 -4.379 -0.501 1.00 0.00 C ATOM 1677 CG ASP A 104 13.016 -3.712 0.566 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.570 -4.431 1.423 1.00 0.00 O ATOM 1679 OD2 ASP A 104 13.124 -2.468 0.544 1.00 0.00 O ATOM 0 H ASP A 104 14.493 -6.423 -0.146 1.00 0.00 H new ATOM 0 HA ASP A 104 12.171 -6.147 -1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.891 -3.641 -1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.241 -4.737 -0.052 1.00 0.00 H new ATOM 1684 N GLU A 105 15.060 -5.677 -2.245 1.00 0.00 N ATOM 1685 CA GLU A 105 16.108 -5.259 -3.166 1.00 0.00 C ATOM 1686 C GLU A 105 15.571 -5.239 -4.591 1.00 0.00 C ATOM 1687 O GLU A 105 15.965 -4.406 -5.409 1.00 0.00 O ATOM 1688 CB GLU A 105 17.313 -6.197 -3.070 1.00 0.00 C ATOM 1689 CG GLU A 105 16.951 -7.667 -3.216 1.00 0.00 C ATOM 1690 CD GLU A 105 18.115 -8.507 -3.706 1.00 0.00 C ATOM 1691 OE1 GLU A 105 17.965 -9.176 -4.750 1.00 0.00 O ATOM 1692 OE2 GLU A 105 19.175 -8.495 -3.048 1.00 0.00 O ATOM 0 H GLU A 105 15.286 -6.502 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 105 16.430 -4.254 -2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 105 18.034 -5.930 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.805 -6.046 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.610 -8.051 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.118 -7.765 -3.912 1.00 0.00 H new ATOM 1699 N LYS A 106 14.656 -6.162 -4.875 1.00 0.00 N ATOM 1700 CA LYS A 106 14.043 -6.256 -6.192 1.00 0.00 C ATOM 1701 C LYS A 106 13.034 -5.130 -6.400 1.00 0.00 C ATOM 1702 O LYS A 106 12.791 -4.704 -7.529 1.00 0.00 O ATOM 1703 CB LYS A 106 13.356 -7.612 -6.362 1.00 0.00 C ATOM 1704 CG LYS A 106 12.194 -7.831 -5.406 1.00 0.00 C ATOM 1705 CD LYS A 106 11.811 -9.299 -5.321 1.00 0.00 C ATOM 1706 CE LYS A 106 12.395 -9.956 -4.081 1.00 0.00 C ATOM 1707 NZ LYS A 106 11.979 -11.381 -3.960 1.00 0.00 N ATOM 0 H LYS A 106 14.323 -6.857 -4.206 1.00 0.00 H new ATOM 0 HA LYS A 106 14.829 -6.160 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.994 -7.700 -7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.091 -8.403 -6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.463 -7.466 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.334 -7.248 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.725 -9.393 -5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.164 -9.820 -6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.483 -9.897 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.075 -9.408 -3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.398 -11.793 -3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.942 -11.436 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.306 -11.910 -4.793 1.00 0.00 H new ATOM 1721 N TYR A 107 12.451 -4.646 -5.303 1.00 0.00 N ATOM 1722 CA TYR A 107 11.478 -3.574 -5.370 1.00 0.00 C ATOM 1723 C TYR A 107 12.177 -2.223 -5.462 1.00 0.00 C ATOM 1724 O TYR A 107 11.680 -1.292 -6.094 1.00 0.00 O ATOM 1725 CB TYR A 107 10.585 -3.610 -4.133 1.00 0.00 C ATOM 1726 CG TYR A 107 9.870 -4.926 -3.926 1.00 0.00 C ATOM 1727 CD1 TYR A 107 9.128 -5.505 -4.946 1.00 0.00 C ATOM 1728 CD2 TYR A 107 9.928 -5.584 -2.703 1.00 0.00 C ATOM 1729 CE1 TYR A 107 8.465 -6.701 -4.755 1.00 0.00 C ATOM 1730 CE2 TYR A 107 9.270 -6.779 -2.504 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.538 -7.335 -3.532 1.00 0.00 C ATOM 1732 OH TYR A 107 7.880 -8.527 -3.338 1.00 0.00 O ATOM 0 H TYR A 107 12.641 -4.985 -4.360 1.00 0.00 H new ATOM 0 HA TYR A 107 10.867 -3.712 -6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.192 -3.396 -3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.844 -2.814 -4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.068 -5.012 -5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.499 -5.151 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.892 -7.138 -5.559 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.328 -7.277 -1.548 1.00 0.00 H new ATOM 0 HH TYR A 107 8.497 -9.182 -2.951 1.00 0.00 H new ATOM 1742 N LYS A 108 13.338 -2.130 -4.823 1.00 0.00 N ATOM 1743 CA LYS A 108 14.122 -0.902 -4.824 1.00 0.00 C ATOM 1744 C LYS A 108 15.077 -0.855 -6.017 1.00 0.00 C ATOM 1745 O LYS A 108 15.730 0.161 -6.258 1.00 0.00 O ATOM 1746 CB LYS A 108 14.921 -0.796 -3.529 1.00 0.00 C ATOM 1747 CG LYS A 108 14.087 -0.954 -2.279 1.00 0.00 C ATOM 1748 CD LYS A 108 14.927 -0.699 -1.041 1.00 0.00 C ATOM 1749 CE LYS A 108 15.546 0.686 -1.074 1.00 0.00 C ATOM 1750 NZ LYS A 108 15.328 1.425 0.201 1.00 0.00 N ATOM 0 H LYS A 108 13.758 -2.895 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 108 13.432 -0.062 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 108 15.701 -1.557 -3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.421 0.172 -3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.248 -0.259 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.667 -1.959 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.307 -0.802 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 108 15.714 -1.450 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.616 0.601 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.119 1.254 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.383 2.448 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.389 1.190 0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.059 1.153 0.889 1.00 0.00 H new ATOM 1764 N ALA A 109 15.166 -1.960 -6.754 1.00 0.00 N ATOM 1765 CA ALA A 109 16.054 -2.043 -7.908 1.00 0.00 C ATOM 1766 C ALA A 109 15.308 -1.799 -9.216 1.00 0.00 C ATOM 1767 O ALA A 109 15.757 -2.222 -10.282 1.00 0.00 O ATOM 1768 CB ALA A 109 16.734 -3.401 -7.942 1.00 0.00 C ATOM 0 H ALA A 109 14.633 -2.810 -6.571 1.00 0.00 H new ATOM 0 HA ALA A 109 16.806 -1.260 -7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.395 -3.455 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.316 -3.539 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 109 15.979 -4.184 -8.013 1.00 0.00 H new