USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 480 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 68 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -2.14! C(o=-2.1!,f=-2.7!) USER MOD Set 2.1: A 51 ASN : amide:sc= -0.432 K(o=-2.2,f=-5.1!) USER MOD Set 2.2: A 53 GLN : amide:sc= -1.8 K(o=-2.2,f=-3.8!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.026) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 1:sc= 0.54 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.58 USER MOD Single : A 48 MET CE :methyl -107:sc= -0.307 (180deg=-0.723) USER MOD Single : A 49 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.48) USER MOD Single : A 59 ASN : amide:sc= -0.0802 X(o=-0.08,f=-0.53) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -110:sc= -1.51 (180deg=-2.43!) USER MOD ----------------------------------------------------------------- ATOM 176 N PRO A 16 1.604 -9.866 -3.954 1.00 0.00 N ATOM 177 CA PRO A 16 1.556 -8.572 -3.268 1.00 0.00 C ATOM 178 C PRO A 16 1.481 -7.401 -4.243 1.00 0.00 C ATOM 179 O PRO A 16 2.322 -7.265 -5.131 1.00 0.00 O ATOM 180 CB PRO A 16 2.874 -8.535 -2.489 1.00 0.00 C ATOM 181 CG PRO A 16 3.788 -9.434 -3.248 1.00 0.00 C ATOM 182 CD PRO A 16 2.919 -10.517 -3.825 1.00 0.00 C ATOM 0 HA PRO A 16 0.670 -8.476 -2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.272 -7.522 -2.432 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.738 -8.882 -1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.306 -8.888 -4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.553 -9.854 -2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.293 -10.862 -4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.874 -11.388 -3.171 1.00 0.00 H new ATOM 190 N VAL A 17 0.468 -6.558 -4.070 1.00 0.00 N ATOM 191 CA VAL A 17 0.283 -5.398 -4.934 1.00 0.00 C ATOM 192 C VAL A 17 1.104 -4.211 -4.442 1.00 0.00 C ATOM 193 O VAL A 17 1.157 -3.932 -3.244 1.00 0.00 O ATOM 194 CB VAL A 17 -1.199 -4.986 -5.011 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.373 -3.787 -5.931 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.053 -6.155 -5.479 1.00 0.00 C ATOM 0 H VAL A 17 -0.237 -6.657 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 17 0.624 -5.686 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.531 -4.699 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.426 -3.510 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.792 -2.948 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.025 -4.043 -6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.097 -5.846 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.723 -6.474 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.952 -6.983 -4.778 1.00 0.00 H new ATOM 206 N PHE A 18 1.744 -3.514 -5.376 1.00 0.00 N ATOM 207 CA PHE A 18 2.564 -2.357 -5.038 1.00 0.00 C ATOM 208 C PHE A 18 1.956 -1.076 -5.603 1.00 0.00 C ATOM 209 O PHE A 18 1.686 -0.980 -6.800 1.00 0.00 O ATOM 210 CB PHE A 18 3.986 -2.539 -5.572 1.00 0.00 C ATOM 211 CG PHE A 18 4.733 -3.665 -4.917 1.00 0.00 C ATOM 212 CD1 PHE A 18 5.487 -3.443 -3.776 1.00 0.00 C ATOM 213 CD2 PHE A 18 4.682 -4.946 -5.443 1.00 0.00 C ATOM 214 CE1 PHE A 18 6.176 -4.478 -3.171 1.00 0.00 C ATOM 215 CE2 PHE A 18 5.367 -5.985 -4.842 1.00 0.00 C ATOM 216 CZ PHE A 18 6.116 -5.750 -3.705 1.00 0.00 C ATOM 0 H PHE A 18 1.710 -3.731 -6.372 1.00 0.00 H new ATOM 0 HA PHE A 18 2.600 -2.273 -3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.942 -2.719 -6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.541 -1.612 -5.427 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.537 -2.450 -3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.100 -5.135 -6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.760 -4.292 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.317 -6.979 -5.261 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.654 -6.560 -3.235 1.00 0.00 H new ATOM 226 N ALA A 19 1.743 -0.095 -4.732 1.00 0.00 N ATOM 227 CA ALA A 19 1.169 1.180 -5.144 1.00 0.00 C ATOM 228 C ALA A 19 2.101 2.337 -4.803 1.00 0.00 C ATOM 229 O ALA A 19 2.436 2.557 -3.639 1.00 0.00 O ATOM 230 CB ALA A 19 -0.189 1.383 -4.488 1.00 0.00 C ATOM 0 H ALA A 19 1.959 -0.159 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 19 1.039 1.160 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.607 2.339 -4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.861 0.578 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.074 1.378 -3.404 1.00 0.00 H new ATOM 236 N LYS A 20 2.519 3.075 -5.827 1.00 0.00 N ATOM 237 CA LYS A 20 3.413 4.211 -5.637 1.00 0.00 C ATOM 238 C LYS A 20 2.648 5.424 -5.117 1.00 0.00 C ATOM 239 O LYS A 20 1.514 5.676 -5.523 1.00 0.00 O ATOM 240 CB LYS A 20 4.112 4.561 -6.952 1.00 0.00 C ATOM 241 CG LYS A 20 4.825 5.902 -6.924 1.00 0.00 C ATOM 242 CD LYS A 20 5.913 5.978 -7.982 1.00 0.00 C ATOM 243 CE LYS A 20 6.743 7.244 -7.838 1.00 0.00 C ATOM 244 NZ LYS A 20 6.075 8.419 -8.463 1.00 0.00 N ATOM 0 H LYS A 20 2.252 2.906 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 20 4.163 3.932 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.834 3.780 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.375 4.568 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.103 6.702 -7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.263 6.062 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.561 5.106 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.461 5.949 -8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.918 7.445 -6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.719 7.093 -8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.672 9.262 -8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.931 8.238 -9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.155 8.579 -8.006 1.00 0.00 H new ATOM 258 N ALA A 21 3.277 6.174 -4.218 1.00 0.00 N ATOM 259 CA ALA A 21 2.657 7.362 -3.646 1.00 0.00 C ATOM 260 C ALA A 21 2.853 8.574 -4.551 1.00 0.00 C ATOM 261 O ALA A 21 3.969 9.071 -4.705 1.00 0.00 O ATOM 262 CB ALA A 21 3.224 7.639 -2.261 1.00 0.00 C ATOM 0 H ALA A 21 4.216 5.979 -3.870 1.00 0.00 H new ATOM 0 HA ALA A 21 1.587 7.176 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.752 8.529 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.027 6.787 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.300 7.799 -2.334 1.00 0.00 H new ATOM 268 N ILE A 22 1.762 9.043 -5.148 1.00 0.00 N ATOM 269 CA ILE A 22 1.816 10.196 -6.038 1.00 0.00 C ATOM 270 C ILE A 22 1.619 11.496 -5.265 1.00 0.00 C ATOM 271 O ILE A 22 2.178 12.533 -5.623 1.00 0.00 O ATOM 272 CB ILE A 22 0.749 10.103 -7.144 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.635 9.875 -6.531 1.00 0.00 C ATOM 274 CG2 ILE A 22 1.093 8.988 -8.119 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.770 10.081 -7.509 1.00 0.00 C ATOM 0 H ILE A 22 0.831 8.643 -5.031 1.00 0.00 H new ATOM 0 HA ILE A 22 2.805 10.195 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 22 0.732 11.045 -7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.686 8.860 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.766 10.552 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.329 8.935 -8.895 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.062 9.190 -8.576 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.135 8.038 -7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.720 9.903 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.745 11.104 -7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.664 9.385 -8.341 1.00 0.00 H new ATOM 287 N GLN A 23 0.823 11.432 -4.203 1.00 0.00 N ATOM 288 CA GLN A 23 0.553 12.605 -3.379 1.00 0.00 C ATOM 289 C GLN A 23 1.134 12.431 -1.979 1.00 0.00 C ATOM 290 O GLN A 23 1.059 11.351 -1.394 1.00 0.00 O ATOM 291 CB GLN A 23 -0.953 12.858 -3.291 1.00 0.00 C ATOM 292 CG GLN A 23 -1.547 13.437 -4.565 1.00 0.00 C ATOM 293 CD GLN A 23 -1.204 14.901 -4.755 1.00 0.00 C ATOM 294 OE1 GLN A 23 -0.361 15.251 -5.581 1.00 0.00 O ATOM 295 NE2 GLN A 23 -1.858 15.768 -3.989 1.00 0.00 N ATOM 0 H GLN A 23 0.354 10.581 -3.893 1.00 0.00 H new ATOM 0 HA GLN A 23 1.031 13.465 -3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.458 11.920 -3.058 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.151 13.541 -2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.184 12.869 -5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.631 13.322 -4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.549 15.435 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.669 16.767 -4.073 1.00 0.00 H new ATOM 304 N LYS A 24 1.713 13.502 -1.447 1.00 0.00 N ATOM 305 CA LYS A 24 2.306 13.470 -0.116 1.00 0.00 C ATOM 306 C LYS A 24 1.241 13.233 0.949 1.00 0.00 C ATOM 307 O LYS A 24 0.301 14.017 1.085 1.00 0.00 O ATOM 308 CB LYS A 24 3.044 14.781 0.168 1.00 0.00 C ATOM 309 CG LYS A 24 3.998 14.699 1.347 1.00 0.00 C ATOM 310 CD LYS A 24 5.065 15.778 1.277 1.00 0.00 C ATOM 311 CE LYS A 24 5.795 15.927 2.603 1.00 0.00 C ATOM 312 NZ LYS A 24 5.112 16.895 3.506 1.00 0.00 N ATOM 0 H LYS A 24 1.784 14.404 -1.918 1.00 0.00 H new ATOM 0 HA LYS A 24 3.018 12.645 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.603 15.074 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.312 15.566 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.438 14.799 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.472 13.718 1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.781 15.533 0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.606 16.728 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.859 14.956 3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.817 16.260 2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.640 16.969 4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.073 17.828 3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.145 16.565 3.702 1.00 0.00 H new ATOM 326 N ARG A 25 1.394 12.149 1.702 1.00 0.00 N ATOM 327 CA ARG A 25 0.445 11.810 2.756 1.00 0.00 C ATOM 328 C ARG A 25 0.982 12.217 4.124 1.00 0.00 C ATOM 329 O ARG A 25 2.010 11.710 4.575 1.00 0.00 O ATOM 330 CB ARG A 25 0.146 10.310 2.738 1.00 0.00 C ATOM 331 CG ARG A 25 -0.750 9.854 3.879 1.00 0.00 C ATOM 332 CD ARG A 25 -2.147 10.440 3.758 1.00 0.00 C ATOM 333 NE ARG A 25 -3.087 9.811 4.682 1.00 0.00 N ATOM 334 CZ ARG A 25 -4.301 10.287 4.933 1.00 0.00 C ATOM 335 NH1 ARG A 25 -4.721 11.391 4.332 1.00 0.00 N ATOM 336 NH2 ARG A 25 -5.098 9.657 5.787 1.00 0.00 N ATOM 0 H ARG A 25 2.166 11.490 1.602 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.478 12.360 2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.328 10.054 1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.086 9.760 2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.810 8.766 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.310 10.153 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.109 11.512 3.954 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.505 10.315 2.736 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.795 8.959 5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.111 11.877 3.675 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.654 11.754 4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.778 8.807 6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.030 10.023 5.979 1.00 0.00 H new ATOM 350 N VAL A 26 0.281 13.134 4.781 1.00 0.00 N ATOM 351 CA VAL A 26 0.687 13.609 6.099 1.00 0.00 C ATOM 352 C VAL A 26 -0.392 13.332 7.140 1.00 0.00 C ATOM 353 O VAL A 26 -1.315 14.123 7.339 1.00 0.00 O ATOM 354 CB VAL A 26 0.993 15.118 6.082 1.00 0.00 C ATOM 355 CG1 VAL A 26 1.371 15.602 7.473 1.00 0.00 C ATOM 356 CG2 VAL A 26 2.098 15.426 5.083 1.00 0.00 C ATOM 0 H VAL A 26 -0.572 13.564 4.422 1.00 0.00 H new ATOM 0 HA VAL A 26 1.593 13.065 6.366 1.00 0.00 H new ATOM 0 HB VAL A 26 0.094 15.650 5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.584 16.671 7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.545 15.417 8.160 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.256 15.066 7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.301 16.497 5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.002 14.885 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.784 15.117 4.086 1.00 0.00 H new ATOM 366 N PRO A 27 -0.276 12.182 7.820 1.00 0.00 N ATOM 367 CA PRO A 27 -1.233 11.774 8.854 1.00 0.00 C ATOM 368 C PRO A 27 -1.138 12.639 10.106 1.00 0.00 C ATOM 369 O PRO A 27 -0.042 12.978 10.556 1.00 0.00 O ATOM 370 CB PRO A 27 -0.824 10.333 9.167 1.00 0.00 C ATOM 371 CG PRO A 27 0.619 10.261 8.802 1.00 0.00 C ATOM 372 CD PRO A 27 0.798 11.192 7.634 1.00 0.00 C ATOM 0 HA PRO A 27 -2.265 11.875 8.517 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.978 10.098 10.220 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.414 9.620 8.591 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.249 10.560 9.640 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.904 9.243 8.537 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.782 11.661 7.641 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.701 10.668 6.683 1.00 0.00 H new ATOM 380 N CYS A 28 -2.290 12.993 10.664 1.00 0.00 N ATOM 381 CA CYS A 28 -2.336 13.820 11.865 1.00 0.00 C ATOM 382 C CYS A 28 -1.610 13.140 13.021 1.00 0.00 C ATOM 383 O CYS A 28 -1.630 11.916 13.145 1.00 0.00 O ATOM 384 CB CYS A 28 -3.786 14.107 12.256 1.00 0.00 C ATOM 385 SG CYS A 28 -4.528 15.499 11.373 1.00 0.00 S ATOM 0 H CYS A 28 -3.205 12.721 10.304 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.833 14.762 11.647 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.384 13.214 12.073 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.830 14.305 13.327 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.755 15.661 11.771 1.00 0.00 H new ATOM 391 N ALA A 29 -0.967 13.942 13.863 1.00 0.00 N ATOM 392 CA ALA A 29 -0.234 13.418 15.009 1.00 0.00 C ATOM 393 C ALA A 29 -1.092 12.445 15.810 1.00 0.00 C ATOM 394 O ALA A 29 -0.654 11.342 16.139 1.00 0.00 O ATOM 395 CB ALA A 29 0.243 14.558 15.896 1.00 0.00 C ATOM 0 H ALA A 29 -0.939 14.958 13.773 1.00 0.00 H new ATOM 0 HA ALA A 29 0.634 12.874 14.637 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.789 14.152 16.748 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.899 15.214 15.324 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.616 15.126 16.253 1.00 0.00 H new ATOM 401 N TYR A 30 -2.314 12.860 16.123 1.00 0.00 N ATOM 402 CA TYR A 30 -3.232 12.026 16.889 1.00 0.00 C ATOM 403 C TYR A 30 -3.560 10.741 16.135 1.00 0.00 C ATOM 404 O TYR A 30 -3.596 9.657 16.717 1.00 0.00 O ATOM 405 CB TYR A 30 -4.519 12.794 17.194 1.00 0.00 C ATOM 406 CG TYR A 30 -4.281 14.167 17.781 1.00 0.00 C ATOM 407 CD1 TYR A 30 -4.148 15.281 16.960 1.00 0.00 C ATOM 408 CD2 TYR A 30 -4.186 14.351 19.154 1.00 0.00 C ATOM 409 CE1 TYR A 30 -3.930 16.537 17.491 1.00 0.00 C ATOM 410 CE2 TYR A 30 -3.969 15.604 19.694 1.00 0.00 C ATOM 411 CZ TYR A 30 -3.841 16.694 18.859 1.00 0.00 C ATOM 412 OH TYR A 30 -3.623 17.943 19.393 1.00 0.00 O ATOM 0 H TYR A 30 -2.692 13.770 15.858 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.744 11.761 17.827 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.097 12.896 16.276 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.124 12.211 17.889 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.216 15.162 15.889 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.283 13.500 19.811 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.830 17.392 16.839 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.900 15.729 20.764 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.588 17.879 20.370 1.00 0.00 H new ATOM 422 N ASP A 31 -3.798 10.871 14.834 1.00 0.00 N ATOM 423 CA ASP A 31 -4.122 9.722 13.997 1.00 0.00 C ATOM 424 C ASP A 31 -2.929 8.777 13.888 1.00 0.00 C ATOM 425 O ASP A 31 -2.022 8.994 13.084 1.00 0.00 O ATOM 426 CB ASP A 31 -4.552 10.183 12.604 1.00 0.00 C ATOM 427 CG ASP A 31 -5.526 9.222 11.951 1.00 0.00 C ATOM 428 OD1 ASP A 31 -5.390 8.000 12.170 1.00 0.00 O ATOM 429 OD2 ASP A 31 -6.423 9.692 11.220 1.00 0.00 O ATOM 0 H ASP A 31 -3.773 11.761 14.336 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.948 9.185 14.464 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.012 11.169 12.677 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.671 10.288 11.971 1.00 0.00 H new ATOM 434 N LYS A 32 -2.936 7.727 14.702 1.00 0.00 N ATOM 435 CA LYS A 32 -1.856 6.747 14.698 1.00 0.00 C ATOM 436 C LYS A 32 -2.078 5.697 13.614 1.00 0.00 C ATOM 437 O LYS A 32 -1.124 5.174 13.037 1.00 0.00 O ATOM 438 CB LYS A 32 -1.750 6.069 16.066 1.00 0.00 C ATOM 439 CG LYS A 32 -1.175 6.968 17.147 1.00 0.00 C ATOM 440 CD LYS A 32 -0.539 6.159 18.265 1.00 0.00 C ATOM 441 CE LYS A 32 0.398 7.012 19.107 1.00 0.00 C ATOM 442 NZ LYS A 32 1.784 7.016 18.561 1.00 0.00 N ATOM 0 H LYS A 32 -3.679 7.533 15.374 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.924 7.271 14.486 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.740 5.733 16.373 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.126 5.180 15.974 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.431 7.634 16.710 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.965 7.598 17.556 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.319 5.738 18.900 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.013 5.321 17.840 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.021 8.034 19.148 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.411 6.636 20.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.392 7.608 19.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.154 6.044 18.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.775 7.399 17.594 1.00 0.00 H new ATOM 456 N THR A 33 -3.343 5.394 13.341 1.00 0.00 N ATOM 457 CA THR A 33 -3.690 4.407 12.326 1.00 0.00 C ATOM 458 C THR A 33 -3.329 4.903 10.931 1.00 0.00 C ATOM 459 O THR A 33 -3.009 4.111 10.044 1.00 0.00 O ATOM 460 CB THR A 33 -5.192 4.066 12.364 1.00 0.00 C ATOM 461 OG1 THR A 33 -5.969 5.268 12.318 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.537 3.282 13.622 1.00 0.00 C ATOM 0 H THR A 33 -4.144 5.818 13.809 1.00 0.00 H new ATOM 0 HA THR A 33 -3.115 3.508 12.550 1.00 0.00 H new ATOM 0 HB THR A 33 -5.424 3.450 11.495 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.371 6.042 12.254 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.603 3.053 13.627 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.966 2.354 13.640 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.290 3.877 14.501 1.00 0.00 H new ATOM 470 N ALA A 34 -3.381 6.217 10.743 1.00 0.00 N ATOM 471 CA ALA A 34 -3.056 6.818 9.455 1.00 0.00 C ATOM 472 C ALA A 34 -1.608 6.537 9.068 1.00 0.00 C ATOM 473 O ALA A 34 -0.688 6.774 9.851 1.00 0.00 O ATOM 474 CB ALA A 34 -3.312 8.317 9.493 1.00 0.00 C ATOM 0 H ALA A 34 -3.645 6.886 11.466 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.701 6.369 8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.065 8.753 8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.363 8.501 9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.692 8.773 10.265 1.00 0.00 H new ATOM 480 N LEU A 35 -1.413 6.029 7.856 1.00 0.00 N ATOM 481 CA LEU A 35 -0.077 5.714 7.364 1.00 0.00 C ATOM 482 C LEU A 35 0.592 6.952 6.775 1.00 0.00 C ATOM 483 O LEU A 35 -0.010 7.679 5.986 1.00 0.00 O ATOM 484 CB LEU A 35 -0.147 4.608 6.310 1.00 0.00 C ATOM 485 CG LEU A 35 1.072 3.689 6.219 1.00 0.00 C ATOM 486 CD1 LEU A 35 0.811 2.551 5.244 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.305 4.478 5.803 1.00 0.00 C ATOM 0 H LEU A 35 -2.164 5.826 7.196 1.00 0.00 H new ATOM 0 HA LEU A 35 0.521 5.366 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.025 3.995 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.301 5.072 5.336 1.00 0.00 H new ATOM 0 HG LEU A 35 1.255 3.261 7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.689 1.908 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.046 1.969 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.602 2.960 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.163 3.808 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.133 4.935 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.504 5.257 6.539 1.00 0.00 H new ATOM 499 N ALA A 36 1.843 7.183 7.161 1.00 0.00 N ATOM 500 CA ALA A 36 2.595 8.330 6.668 1.00 0.00 C ATOM 501 C ALA A 36 3.473 7.942 5.483 1.00 0.00 C ATOM 502 O ALA A 36 4.175 6.931 5.522 1.00 0.00 O ATOM 503 CB ALA A 36 3.442 8.924 7.783 1.00 0.00 C ATOM 0 H ALA A 36 2.357 6.591 7.814 1.00 0.00 H new ATOM 0 HA ALA A 36 1.883 9.082 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.998 9.780 7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.795 9.247 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.140 8.172 8.150 1.00 0.00 H new ATOM 509 N LEU A 37 3.429 8.751 4.430 1.00 0.00 N ATOM 510 CA LEU A 37 4.221 8.492 3.233 1.00 0.00 C ATOM 511 C LEU A 37 4.756 9.792 2.642 1.00 0.00 C ATOM 512 O LEU A 37 4.304 10.879 2.999 1.00 0.00 O ATOM 513 CB LEU A 37 3.379 7.753 2.191 1.00 0.00 C ATOM 514 CG LEU A 37 2.710 6.461 2.662 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.531 6.113 1.767 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.716 5.319 2.690 1.00 0.00 C ATOM 0 H LEU A 37 2.853 9.592 4.381 1.00 0.00 H new ATOM 0 HA LEU A 37 5.068 7.868 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.604 8.430 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.016 7.519 1.338 1.00 0.00 H new ATOM 0 HG LEU A 37 2.338 6.616 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.068 5.191 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.800 6.921 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.879 5.978 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.223 4.408 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.119 5.164 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.528 5.566 3.374 1.00 0.00 H new ATOM 528 N GLU A 38 5.719 9.671 1.734 1.00 0.00 N ATOM 529 CA GLU A 38 6.314 10.838 1.092 1.00 0.00 C ATOM 530 C GLU A 38 6.319 10.681 -0.426 1.00 0.00 C ATOM 531 O GLU A 38 6.737 9.650 -0.953 1.00 0.00 O ATOM 532 CB GLU A 38 7.742 11.053 1.598 1.00 0.00 C ATOM 533 CG GLU A 38 8.743 10.056 1.039 1.00 0.00 C ATOM 534 CD GLU A 38 9.977 9.919 1.909 1.00 0.00 C ATOM 535 OE1 GLU A 38 10.345 10.907 2.579 1.00 0.00 O ATOM 536 OE2 GLU A 38 10.576 8.823 1.919 1.00 0.00 O ATOM 0 H GLU A 38 6.104 8.778 1.426 1.00 0.00 H new ATOM 0 HA GLU A 38 5.710 11.709 1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.063 12.062 1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.746 10.988 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.263 9.082 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.041 10.368 0.038 1.00 0.00 H new ATOM 543 N VAL A 39 5.851 11.711 -1.123 1.00 0.00 N ATOM 544 CA VAL A 39 5.801 11.688 -2.580 1.00 0.00 C ATOM 545 C VAL A 39 7.002 10.949 -3.159 1.00 0.00 C ATOM 546 O VAL A 39 8.129 11.441 -3.112 1.00 0.00 O ATOM 547 CB VAL A 39 5.760 13.114 -3.162 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.808 13.072 -4.682 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.519 13.850 -2.680 1.00 0.00 C ATOM 0 H VAL A 39 5.501 12.572 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 39 4.887 11.163 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 39 6.637 13.657 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.778 14.088 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.729 12.585 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.951 12.512 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.506 14.856 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.628 13.311 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.532 13.912 -1.592 1.00 0.00 H new ATOM 559 N GLY A 40 6.753 9.764 -3.707 1.00 0.00 N ATOM 560 CA GLY A 40 7.823 8.975 -4.288 1.00 0.00 C ATOM 561 C GLY A 40 8.190 7.777 -3.435 1.00 0.00 C ATOM 562 O GLY A 40 9.364 7.424 -3.321 1.00 0.00 O ATOM 0 H GLY A 40 5.829 9.336 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.522 8.633 -5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.703 9.605 -4.422 1.00 0.00 H new ATOM 566 N ASP A 41 7.185 7.151 -2.834 1.00 0.00 N ATOM 567 CA ASP A 41 7.407 5.985 -1.986 1.00 0.00 C ATOM 568 C ASP A 41 6.499 4.831 -2.399 1.00 0.00 C ATOM 569 O ASP A 41 5.388 5.046 -2.883 1.00 0.00 O ATOM 570 CB ASP A 41 7.164 6.342 -0.519 1.00 0.00 C ATOM 571 CG ASP A 41 7.960 5.467 0.429 1.00 0.00 C ATOM 572 OD1 ASP A 41 7.764 4.234 0.404 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.779 6.015 1.197 1.00 0.00 O ATOM 0 H ASP A 41 6.208 7.431 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 41 8.443 5.669 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.429 7.386 -0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.102 6.243 -0.295 1.00 0.00 H new ATOM 578 N ILE A 42 6.981 3.608 -2.206 1.00 0.00 N ATOM 579 CA ILE A 42 6.212 2.421 -2.558 1.00 0.00 C ATOM 580 C ILE A 42 5.478 1.861 -1.344 1.00 0.00 C ATOM 581 O ILE A 42 6.098 1.485 -0.349 1.00 0.00 O ATOM 582 CB ILE A 42 7.114 1.322 -3.151 1.00 0.00 C ATOM 583 CG1 ILE A 42 7.828 1.837 -4.402 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.295 0.082 -3.475 1.00 0.00 C ATOM 585 CD1 ILE A 42 6.913 2.001 -5.595 1.00 0.00 C ATOM 0 H ILE A 42 7.900 3.413 -1.808 1.00 0.00 H new ATOM 0 HA ILE A 42 5.484 2.728 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 42 7.867 1.053 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.293 2.797 -4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.631 1.147 -4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.947 -0.685 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.829 -0.294 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.522 0.336 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.487 2.369 -6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.468 1.039 -5.847 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.124 2.714 -5.353 1.00 0.00 H new ATOM 597 N VAL A 43 4.153 1.805 -1.435 1.00 0.00 N ATOM 598 CA VAL A 43 3.334 1.288 -0.345 1.00 0.00 C ATOM 599 C VAL A 43 2.987 -0.180 -0.568 1.00 0.00 C ATOM 600 O VAL A 43 2.055 -0.504 -1.304 1.00 0.00 O ATOM 601 CB VAL A 43 2.031 2.095 -0.192 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.254 1.627 1.029 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.333 3.583 -0.103 1.00 0.00 C ATOM 0 H VAL A 43 3.624 2.111 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 43 3.922 1.385 0.568 1.00 0.00 H new ATOM 0 HB VAL A 43 1.413 1.925 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.337 2.208 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.005 0.571 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.863 1.765 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.401 4.138 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.971 3.774 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.844 3.905 -1.010 1.00 0.00 H new ATOM 613 N LYS A 44 3.743 -1.064 0.073 1.00 0.00 N ATOM 614 CA LYS A 44 3.515 -2.499 -0.052 1.00 0.00 C ATOM 615 C LYS A 44 2.320 -2.936 0.789 1.00 0.00 C ATOM 616 O LYS A 44 2.389 -2.962 2.018 1.00 0.00 O ATOM 617 CB LYS A 44 4.764 -3.273 0.377 1.00 0.00 C ATOM 618 CG LYS A 44 4.580 -4.781 0.360 1.00 0.00 C ATOM 619 CD LYS A 44 5.459 -5.461 1.396 1.00 0.00 C ATOM 620 CE LYS A 44 4.969 -6.868 1.705 1.00 0.00 C ATOM 621 NZ LYS A 44 5.835 -7.549 2.707 1.00 0.00 N ATOM 0 H LYS A 44 4.519 -0.812 0.685 1.00 0.00 H new ATOM 0 HA LYS A 44 3.300 -2.718 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.590 -3.009 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.047 -2.961 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.535 -5.023 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.819 -5.167 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.486 -5.504 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.469 -4.869 2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.947 -6.822 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.946 -7.454 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.468 -8.505 2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.805 -7.615 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.837 -7.003 3.592 1.00 0.00 H new ATOM 635 N VAL A 45 1.225 -3.280 0.118 1.00 0.00 N ATOM 636 CA VAL A 45 0.015 -3.718 0.803 1.00 0.00 C ATOM 637 C VAL A 45 -0.213 -5.214 0.614 1.00 0.00 C ATOM 638 O VAL A 45 -0.080 -5.738 -0.492 1.00 0.00 O ATOM 639 CB VAL A 45 -1.224 -2.954 0.300 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.182 -2.807 -1.214 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.499 -3.656 0.741 1.00 0.00 C ATOM 0 H VAL A 45 1.151 -3.264 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 45 0.158 -3.506 1.863 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.217 -1.956 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.065 -2.265 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.286 -2.256 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.164 -3.795 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.364 -3.102 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.517 -4.667 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.531 -3.703 1.830 1.00 0.00 H new ATOM 651 N THR A 46 -0.558 -5.897 1.701 1.00 0.00 N ATOM 652 CA THR A 46 -0.804 -7.332 1.655 1.00 0.00 C ATOM 653 C THR A 46 -2.297 -7.636 1.705 1.00 0.00 C ATOM 654 O THR A 46 -2.771 -8.574 1.064 1.00 0.00 O ATOM 655 CB THR A 46 -0.104 -8.059 2.819 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.441 -7.432 4.062 1.00 0.00 O ATOM 657 CG2 THR A 46 1.406 -8.051 2.633 1.00 0.00 C ATOM 0 H THR A 46 -0.673 -5.479 2.624 1.00 0.00 H new ATOM 0 HA THR A 46 -0.394 -7.693 0.712 1.00 0.00 H new ATOM 0 HB THR A 46 -0.447 -9.094 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.007 -7.901 4.797 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.878 -8.570 3.467 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.660 -8.556 1.701 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.763 -7.022 2.597 1.00 0.00 H new ATOM 665 N ARG A 47 -3.033 -6.837 2.471 1.00 0.00 N ATOM 666 CA ARG A 47 -4.473 -7.022 2.604 1.00 0.00 C ATOM 667 C ARG A 47 -5.221 -5.738 2.257 1.00 0.00 C ATOM 668 O ARG A 47 -4.869 -4.657 2.728 1.00 0.00 O ATOM 669 CB ARG A 47 -4.823 -7.459 4.028 1.00 0.00 C ATOM 670 CG ARG A 47 -4.594 -8.939 4.285 1.00 0.00 C ATOM 671 CD ARG A 47 -3.151 -9.220 4.676 1.00 0.00 C ATOM 672 NE ARG A 47 -2.722 -10.554 4.264 1.00 0.00 N ATOM 673 CZ ARG A 47 -1.684 -11.189 4.796 1.00 0.00 C ATOM 674 NH1 ARG A 47 -0.973 -10.615 5.757 1.00 0.00 N ATOM 675 NH2 ARG A 47 -1.355 -12.401 4.368 1.00 0.00 N ATOM 0 H ARG A 47 -2.656 -6.056 3.008 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.780 -7.801 1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.227 -6.880 4.733 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.869 -7.222 4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.260 -9.279 5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.847 -9.508 3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.500 -8.473 4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.042 -9.122 5.756 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.248 -11.024 3.527 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.223 -9.684 6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.176 -11.105 6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.900 -12.846 3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.557 -12.887 4.778 1.00 0.00 H new ATOM 689 N MET A 48 -6.252 -5.865 1.429 1.00 0.00 N ATOM 690 CA MET A 48 -7.049 -4.715 1.019 1.00 0.00 C ATOM 691 C MET A 48 -8.503 -4.878 1.453 1.00 0.00 C ATOM 692 O MET A 48 -9.268 -5.610 0.827 1.00 0.00 O ATOM 693 CB MET A 48 -6.975 -4.531 -0.498 1.00 0.00 C ATOM 694 CG MET A 48 -5.557 -4.377 -1.023 1.00 0.00 C ATOM 695 SD MET A 48 -5.467 -4.479 -2.821 1.00 0.00 S ATOM 696 CE MET A 48 -4.602 -2.958 -3.204 1.00 0.00 C ATOM 0 H MET A 48 -6.555 -6.753 1.029 1.00 0.00 H new ATOM 0 HA MET A 48 -6.640 -3.829 1.506 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.442 -5.388 -0.983 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.555 -3.651 -0.778 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.155 -3.418 -0.697 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.926 -5.152 -0.587 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.298 -2.244 -3.644 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.182 -2.538 -2.290 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.799 -3.164 -3.911 1.00 0.00 H new ATOM 706 N ASN A 49 -8.875 -4.191 2.528 1.00 0.00 N ATOM 707 CA ASN A 49 -10.237 -4.261 3.046 1.00 0.00 C ATOM 708 C ASN A 49 -11.245 -3.834 1.984 1.00 0.00 C ATOM 709 O ASN A 49 -10.951 -2.988 1.138 1.00 0.00 O ATOM 710 CB ASN A 49 -10.379 -3.376 4.286 1.00 0.00 C ATOM 711 CG ASN A 49 -9.401 -3.753 5.381 1.00 0.00 C ATOM 712 OD1 ASN A 49 -9.038 -4.920 5.529 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.970 -2.764 6.156 1.00 0.00 N ATOM 0 H ASN A 49 -8.253 -3.580 3.057 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.442 -5.296 3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.222 -2.334 4.005 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.396 -3.453 4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.311 -2.957 6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.298 -1.811 5.997 1.00 0.00 H new ATOM 720 N ILE A 50 -12.435 -4.425 2.034 1.00 0.00 N ATOM 721 CA ILE A 50 -13.487 -4.104 1.077 1.00 0.00 C ATOM 722 C ILE A 50 -14.124 -2.755 1.392 1.00 0.00 C ATOM 723 O ILE A 50 -14.869 -2.205 0.582 1.00 0.00 O ATOM 724 CB ILE A 50 -14.583 -5.186 1.063 1.00 0.00 C ATOM 725 CG1 ILE A 50 -15.101 -5.436 2.480 1.00 0.00 C ATOM 726 CG2 ILE A 50 -14.049 -6.473 0.453 1.00 0.00 C ATOM 727 CD1 ILE A 50 -16.458 -6.104 2.518 1.00 0.00 C ATOM 0 H ILE A 50 -12.694 -5.128 2.726 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.018 -4.060 0.094 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.413 -4.834 0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.384 -6.058 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.158 -4.485 3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.835 -7.228 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.724 -6.283 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.204 -6.831 1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.763 -6.250 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -17.188 -5.474 2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -16.402 -7.070 2.016 1.00 0.00 H new ATOM 739 N ASN A 51 -13.823 -2.226 2.574 1.00 0.00 N ATOM 740 CA ASN A 51 -14.365 -0.940 2.996 1.00 0.00 C ATOM 741 C ASN A 51 -13.698 0.206 2.240 1.00 0.00 C ATOM 742 O ASN A 51 -14.288 1.271 2.060 1.00 0.00 O ATOM 743 CB ASN A 51 -14.174 -0.751 4.502 1.00 0.00 C ATOM 744 CG ASN A 51 -12.847 -0.100 4.839 1.00 0.00 C ATOM 745 OD1 ASN A 51 -11.785 -0.696 4.654 1.00 0.00 O ATOM 746 ND2 ASN A 51 -12.901 1.129 5.338 1.00 0.00 N ATOM 0 H ASN A 51 -13.207 -2.668 3.256 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.431 -0.931 2.768 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.986 -0.139 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.237 -1.720 4.998 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.040 1.617 5.585 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.803 1.585 5.475 1.00 0.00 H new ATOM 753 N GLY A 52 -12.465 -0.022 1.800 1.00 0.00 N ATOM 754 CA GLY A 52 -11.738 1.000 1.068 1.00 0.00 C ATOM 755 C GLY A 52 -10.306 1.145 1.543 1.00 0.00 C ATOM 756 O GLY A 52 -9.373 1.113 0.741 1.00 0.00 O ATOM 0 H GLY A 52 -11.956 -0.895 1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.742 0.754 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.252 1.955 1.176 1.00 0.00 H new ATOM 760 N GLN A 53 -10.131 1.307 2.851 1.00 0.00 N ATOM 761 CA GLN A 53 -8.802 1.460 3.430 1.00 0.00 C ATOM 762 C GLN A 53 -8.032 0.144 3.382 1.00 0.00 C ATOM 763 O GLN A 53 -8.539 -0.898 3.796 1.00 0.00 O ATOM 764 CB GLN A 53 -8.906 1.951 4.875 1.00 0.00 C ATOM 765 CG GLN A 53 -9.260 3.425 4.993 1.00 0.00 C ATOM 766 CD GLN A 53 -10.481 3.799 4.176 1.00 0.00 C ATOM 767 OE1 GLN A 53 -10.415 3.904 2.951 1.00 0.00 O ATOM 768 NE2 GLN A 53 -11.606 4.002 4.852 1.00 0.00 N ATOM 0 H GLN A 53 -10.893 1.336 3.529 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.259 2.199 2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.660 1.362 5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.957 1.772 5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.439 3.669 6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.411 4.026 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.616 3.904 5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.460 4.256 4.356 1.00 0.00 H new ATOM 777 N TRP A 54 -6.807 0.201 2.874 1.00 0.00 N ATOM 778 CA TRP A 54 -5.967 -0.987 2.771 1.00 0.00 C ATOM 779 C TRP A 54 -4.871 -0.972 3.831 1.00 0.00 C ATOM 780 O TRP A 54 -4.557 0.074 4.396 1.00 0.00 O ATOM 781 CB TRP A 54 -5.344 -1.078 1.377 1.00 0.00 C ATOM 782 CG TRP A 54 -6.307 -0.753 0.275 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.648 -1.008 0.256 1.00 0.00 C ATOM 784 CD2 TRP A 54 -6.000 -0.114 -0.970 1.00 0.00 C ATOM 785 NE1 TRP A 54 -8.194 -0.566 -0.925 1.00 0.00 N ATOM 786 CE2 TRP A 54 -7.204 -0.013 -1.694 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.826 0.384 -1.542 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -7.265 0.564 -2.959 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.889 0.956 -2.798 1.00 0.00 C ATOM 790 CH2 TRP A 54 -6.101 1.043 -3.495 1.00 0.00 C ATOM 0 H TRP A 54 -6.373 1.056 2.527 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.596 -1.861 2.937 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.495 -0.397 1.321 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.955 -2.085 1.225 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.199 -1.487 1.052 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.177 -0.638 -1.187 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.887 0.323 -1.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.198 0.631 -3.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.988 1.343 -3.250 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.117 1.497 -4.475 1.00 0.00 H new ATOM 801 N GLU A 55 -4.292 -2.140 4.094 1.00 0.00 N ATOM 802 CA GLU A 55 -3.231 -2.259 5.087 1.00 0.00 C ATOM 803 C GLU A 55 -1.887 -2.528 4.417 1.00 0.00 C ATOM 804 O GLU A 55 -1.686 -3.574 3.801 1.00 0.00 O ATOM 805 CB GLU A 55 -3.553 -3.380 6.078 1.00 0.00 C ATOM 806 CG GLU A 55 -2.820 -3.249 7.403 1.00 0.00 C ATOM 807 CD GLU A 55 -2.954 -4.488 8.268 1.00 0.00 C ATOM 808 OE1 GLU A 55 -3.002 -5.602 7.704 1.00 0.00 O ATOM 809 OE2 GLU A 55 -3.010 -4.344 9.507 1.00 0.00 O ATOM 0 H GLU A 55 -4.540 -3.016 3.634 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.166 -1.314 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.627 -3.391 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.299 -4.338 5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.764 -3.056 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.209 -2.387 7.946 1.00 0.00 H new ATOM 816 N GLY A 56 -0.968 -1.575 4.543 1.00 0.00 N ATOM 817 CA GLY A 56 0.345 -1.727 3.944 1.00 0.00 C ATOM 818 C GLY A 56 1.460 -1.298 4.877 1.00 0.00 C ATOM 819 O GLY A 56 1.214 -0.644 5.889 1.00 0.00 O ATOM 0 H GLY A 56 -1.110 -0.701 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.493 -2.769 3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.394 -1.137 3.029 1.00 0.00 H new ATOM 823 N GLU A 57 2.691 -1.668 4.535 1.00 0.00 N ATOM 824 CA GLU A 57 3.847 -1.319 5.352 1.00 0.00 C ATOM 825 C GLU A 57 4.850 -0.495 4.550 1.00 0.00 C ATOM 826 O GLU A 57 5.277 -0.897 3.468 1.00 0.00 O ATOM 827 CB GLU A 57 4.522 -2.584 5.887 1.00 0.00 C ATOM 828 CG GLU A 57 5.708 -2.303 6.795 1.00 0.00 C ATOM 829 CD GLU A 57 7.016 -2.210 6.034 1.00 0.00 C ATOM 830 OE1 GLU A 57 7.124 -2.837 4.960 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.931 -1.509 6.513 1.00 0.00 O ATOM 0 H GLU A 57 2.913 -2.209 3.699 1.00 0.00 H new ATOM 0 HA GLU A 57 3.498 -0.719 6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.787 -3.174 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.855 -3.192 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.537 -1.370 7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.783 -3.092 7.543 1.00 0.00 H new ATOM 838 N VAL A 58 5.222 0.662 5.089 1.00 0.00 N ATOM 839 CA VAL A 58 6.175 1.544 4.426 1.00 0.00 C ATOM 840 C VAL A 58 7.211 2.074 5.410 1.00 0.00 C ATOM 841 O VAL A 58 6.865 2.589 6.473 1.00 0.00 O ATOM 842 CB VAL A 58 5.465 2.734 3.754 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.476 3.648 3.080 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.430 2.241 2.753 1.00 0.00 C ATOM 0 H VAL A 58 4.877 1.010 5.984 1.00 0.00 H new ATOM 0 HA VAL A 58 6.676 0.950 3.661 1.00 0.00 H new ATOM 0 HB VAL A 58 4.949 3.308 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.956 4.483 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.175 4.029 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.023 3.089 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.938 3.095 2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.922 1.643 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.688 1.631 3.268 1.00 0.00 H new ATOM 854 N ASN A 59 8.483 1.945 5.049 1.00 0.00 N ATOM 855 CA ASN A 59 9.571 2.411 5.901 1.00 0.00 C ATOM 856 C ASN A 59 9.396 1.908 7.331 1.00 0.00 C ATOM 857 O ASN A 59 9.891 2.515 8.279 1.00 0.00 O ATOM 858 CB ASN A 59 9.635 3.940 5.891 1.00 0.00 C ATOM 859 CG ASN A 59 10.529 4.474 4.790 1.00 0.00 C ATOM 860 OD1 ASN A 59 11.631 3.971 4.571 1.00 0.00 O ATOM 861 ND2 ASN A 59 10.058 5.500 4.090 1.00 0.00 N ATOM 0 H ASN A 59 8.786 1.522 4.172 1.00 0.00 H new ATOM 0 HA ASN A 59 10.505 2.012 5.506 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.630 4.342 5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.001 4.292 6.855 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.616 5.902 3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.139 5.886 4.306 1.00 0.00 H new ATOM 868 N GLY A 60 8.689 0.791 7.477 1.00 0.00 N ATOM 869 CA GLY A 60 8.462 0.224 8.793 1.00 0.00 C ATOM 870 C GLY A 60 7.228 0.794 9.465 1.00 0.00 C ATOM 871 O GLY A 60 7.105 0.754 10.689 1.00 0.00 O ATOM 0 H GLY A 60 8.270 0.269 6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.358 -0.858 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.333 0.411 9.421 1.00 0.00 H new ATOM 875 N ARG A 61 6.312 1.326 8.663 1.00 0.00 N ATOM 876 CA ARG A 61 5.083 1.909 9.187 1.00 0.00 C ATOM 877 C ARG A 61 3.858 1.208 8.608 1.00 0.00 C ATOM 878 O ARG A 61 3.708 1.101 7.391 1.00 0.00 O ATOM 879 CB ARG A 61 5.026 3.405 8.869 1.00 0.00 C ATOM 880 CG ARG A 61 5.803 4.266 9.851 1.00 0.00 C ATOM 881 CD ARG A 61 7.246 4.451 9.408 1.00 0.00 C ATOM 882 NE ARG A 61 8.114 3.390 9.912 1.00 0.00 N ATOM 883 CZ ARG A 61 8.522 3.311 11.174 1.00 0.00 C ATOM 884 NH1 ARG A 61 8.143 4.226 12.055 1.00 0.00 N ATOM 885 NH2 ARG A 61 9.310 2.314 11.556 1.00 0.00 N ATOM 0 H ARG A 61 6.398 1.365 7.647 1.00 0.00 H new ATOM 0 HA ARG A 61 5.080 1.774 10.269 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.418 3.570 7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.985 3.727 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.322 5.240 9.943 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.780 3.805 10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.291 4.470 8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.612 5.416 9.759 1.00 0.00 H new ATOM 0 HE ARG A 61 8.424 2.670 9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.537 4.993 11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.458 4.163 13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.603 1.608 10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.623 2.254 12.525 1.00 0.00 H new ATOM 899 N LYS A 62 2.984 0.731 9.488 1.00 0.00 N ATOM 900 CA LYS A 62 1.772 0.040 9.066 1.00 0.00 C ATOM 901 C LYS A 62 0.530 0.848 9.429 1.00 0.00 C ATOM 902 O LYS A 62 0.171 0.959 10.601 1.00 0.00 O ATOM 903 CB LYS A 62 1.698 -1.346 9.711 1.00 0.00 C ATOM 904 CG LYS A 62 2.908 -2.217 9.421 1.00 0.00 C ATOM 905 CD LYS A 62 2.640 -3.674 9.757 1.00 0.00 C ATOM 906 CE LYS A 62 3.869 -4.537 9.518 1.00 0.00 C ATOM 907 NZ LYS A 62 3.674 -5.929 10.009 1.00 0.00 N ATOM 0 H LYS A 62 3.093 0.811 10.499 1.00 0.00 H new ATOM 0 HA LYS A 62 1.807 -0.072 7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.594 -1.230 10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.801 -1.855 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.177 -2.129 8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.761 -1.860 9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.333 -3.757 10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.812 -4.042 9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.097 -4.557 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.728 -4.092 10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.534 -6.485 9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.481 -5.913 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.870 -6.363 9.512 1.00 0.00 H new ATOM 921 N GLY A 63 -0.122 1.411 8.416 1.00 0.00 N ATOM 922 CA GLY A 63 -1.317 2.200 8.651 1.00 0.00 C ATOM 923 C GLY A 63 -2.243 2.221 7.451 1.00 0.00 C ATOM 924 O GLY A 63 -1.882 1.752 6.370 1.00 0.00 O ATOM 0 H GLY A 63 0.156 1.335 7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.851 1.797 9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.031 3.221 8.903 1.00 0.00 H new ATOM 928 N LEU A 64 -3.441 2.763 7.639 1.00 0.00 N ATOM 929 CA LEU A 64 -4.423 2.841 6.564 1.00 0.00 C ATOM 930 C LEU A 64 -4.204 4.090 5.716 1.00 0.00 C ATOM 931 O LEU A 64 -4.239 5.212 6.223 1.00 0.00 O ATOM 932 CB LEU A 64 -5.840 2.844 7.140 1.00 0.00 C ATOM 933 CG LEU A 64 -6.191 1.679 8.065 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.554 1.896 8.704 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.162 0.363 7.301 1.00 0.00 C ATOM 0 H LEU A 64 -3.756 3.155 8.526 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.298 1.965 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.985 3.774 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.548 2.849 6.311 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.444 1.633 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.787 1.056 9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.540 2.817 9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.313 1.970 7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.414 -0.455 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.886 0.399 6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.165 0.202 6.892 1.00 0.00 H new ATOM 947 N PHE A 65 -3.980 3.889 4.421 1.00 0.00 N ATOM 948 CA PHE A 65 -3.756 4.998 3.502 1.00 0.00 C ATOM 949 C PHE A 65 -4.843 5.046 2.433 1.00 0.00 C ATOM 950 O PHE A 65 -5.322 4.019 1.952 1.00 0.00 O ATOM 951 CB PHE A 65 -2.381 4.873 2.843 1.00 0.00 C ATOM 952 CG PHE A 65 -2.170 3.562 2.141 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.968 2.398 2.866 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.173 3.493 0.758 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.774 1.190 2.224 1.00 0.00 C ATOM 956 CE2 PHE A 65 -1.980 2.288 0.110 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.778 1.135 0.844 1.00 0.00 C ATOM 0 H PHE A 65 -3.949 2.967 3.985 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.793 5.925 4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.255 5.684 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.610 4.997 3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.962 2.436 3.945 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.328 4.391 0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.619 0.290 2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.987 2.247 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.624 0.193 0.340 1.00 0.00 H new ATOM 967 N PRO A 66 -5.243 6.268 2.050 1.00 0.00 N ATOM 968 CA PRO A 66 -6.278 6.480 1.034 1.00 0.00 C ATOM 969 C PRO A 66 -5.807 6.090 -0.363 1.00 0.00 C ATOM 970 O PRO A 66 -4.772 6.562 -0.834 1.00 0.00 O ATOM 971 CB PRO A 66 -6.544 7.986 1.108 1.00 0.00 C ATOM 972 CG PRO A 66 -5.282 8.568 1.644 1.00 0.00 C ATOM 973 CD PRO A 66 -4.716 7.536 2.581 1.00 0.00 C ATOM 0 HA PRO A 66 -7.161 5.868 1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.782 8.395 0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.390 8.207 1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.582 8.790 0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.475 9.505 2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.626 7.549 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.038 7.706 3.608 1.00 0.00 H new ATOM 981 N PHE A 67 -6.573 5.227 -1.021 1.00 0.00 N ATOM 982 CA PHE A 67 -6.234 4.773 -2.365 1.00 0.00 C ATOM 983 C PHE A 67 -6.191 5.946 -3.340 1.00 0.00 C ATOM 984 O PHE A 67 -5.440 5.930 -4.317 1.00 0.00 O ATOM 985 CB PHE A 67 -7.247 3.732 -2.846 1.00 0.00 C ATOM 986 CG PHE A 67 -8.676 4.163 -2.677 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.327 4.859 -3.682 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.368 3.872 -1.512 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.641 5.258 -3.529 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.683 4.268 -1.353 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.320 4.961 -2.363 1.00 0.00 C ATOM 0 H PHE A 67 -7.433 4.828 -0.646 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.245 4.317 -2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.063 3.517 -3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.089 2.803 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.801 5.093 -4.596 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.874 3.330 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.137 5.801 -4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.211 4.036 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.348 5.270 -2.242 1.00 0.00 H new ATOM 1001 N THR A 68 -7.002 6.963 -3.069 1.00 0.00 N ATOM 1002 CA THR A 68 -7.059 8.144 -3.922 1.00 0.00 C ATOM 1003 C THR A 68 -5.730 8.891 -3.916 1.00 0.00 C ATOM 1004 O THR A 68 -5.455 9.695 -4.807 1.00 0.00 O ATOM 1005 CB THR A 68 -8.178 9.105 -3.478 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.087 9.344 -2.069 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.547 8.534 -3.813 1.00 0.00 C ATOM 0 H THR A 68 -7.629 6.993 -2.265 1.00 0.00 H new ATOM 0 HA THR A 68 -7.271 7.794 -4.932 1.00 0.00 H new ATOM 0 HB THR A 68 -8.053 10.045 -4.015 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.801 9.957 -1.794 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.321 9.230 -3.490 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.624 8.380 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.679 7.581 -3.300 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.909 8.620 -2.907 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.607 9.266 -2.787 1.00 0.00 C ATOM 1017 C HIS A 69 -2.553 8.521 -3.600 1.00 0.00 C ATOM 1018 O HIS A 69 -1.679 9.134 -4.213 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.182 9.335 -1.320 1.00 0.00 C ATOM 1020 CG HIS A 69 -3.751 10.510 -0.585 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -5.090 10.839 -0.614 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -3.155 11.435 0.203 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -5.292 11.916 0.123 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -4.134 12.297 0.630 1.00 0.00 N ATOM 0 H HIS A 69 -5.122 7.958 -2.161 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.694 10.279 -3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.491 8.418 -0.817 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.094 9.376 -1.267 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.105 11.485 0.450 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.243 12.402 0.284 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -3.990 13.102 1.240 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.641 7.195 -3.599 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.695 6.365 -4.337 1.00 0.00 C ATOM 1035 C VAL A 70 -2.277 5.926 -5.675 1.00 0.00 C ATOM 1036 O VAL A 70 -3.469 6.097 -5.933 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.294 5.117 -3.529 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.637 5.517 -2.217 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.507 4.233 -3.279 1.00 0.00 C ATOM 0 H VAL A 70 -3.357 6.672 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.809 6.975 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.570 4.547 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.361 4.621 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.257 6.106 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.335 6.110 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.206 3.355 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.256 4.793 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.930 3.917 -4.233 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.428 5.358 -6.525 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.857 4.891 -7.838 1.00 0.00 C ATOM 1051 C LYS A 71 -1.323 3.490 -8.119 1.00 0.00 C ATOM 1052 O LYS A 71 -0.137 3.219 -7.930 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.382 5.857 -8.926 1.00 0.00 C ATOM 1054 CG LYS A 71 -1.764 5.426 -10.332 1.00 0.00 C ATOM 1055 CD LYS A 71 -1.023 6.234 -11.384 1.00 0.00 C ATOM 1056 CE LYS A 71 -1.784 7.496 -11.757 1.00 0.00 C ATOM 1057 NZ LYS A 71 -1.688 8.536 -10.695 1.00 0.00 N ATOM 0 H LYS A 71 -0.438 5.210 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.946 4.853 -7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.801 6.844 -8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.298 5.953 -8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.541 4.367 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.839 5.545 -10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.035 6.501 -11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.872 5.623 -12.274 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.390 7.894 -12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.832 7.250 -11.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.613 8.646 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.980 8.248 -9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.404 9.442 -11.121 1.00 0.00 H new ATOM 1071 N ILE A 72 -2.205 2.605 -8.572 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.820 1.234 -8.881 1.00 0.00 C ATOM 1073 C ILE A 72 -0.935 1.177 -10.121 1.00 0.00 C ATOM 1074 O ILE A 72 -1.210 1.836 -11.124 1.00 0.00 O ATOM 1075 CB ILE A 72 -3.054 0.340 -9.103 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.964 0.374 -7.874 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.625 -1.087 -9.412 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -3.422 -0.409 -6.699 1.00 0.00 C ATOM 0 H ILE A 72 -3.190 2.813 -8.733 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.261 0.862 -8.022 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.614 0.724 -9.956 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.114 1.410 -7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.942 -0.024 -8.145 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.508 -1.707 -9.566 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.013 -1.096 -10.314 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.046 -1.482 -8.577 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.119 -0.341 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.298 -1.454 -6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.457 0.002 -6.401 1.00 0.00 H new ATOM 1090 N PHE A 73 0.129 0.384 -10.047 1.00 0.00 N ATOM 1091 CA PHE A 73 1.055 0.240 -11.164 1.00 0.00 C ATOM 1092 C PHE A 73 1.633 -1.172 -11.213 1.00 0.00 C ATOM 1093 O PHE A 73 1.647 -1.883 -10.208 1.00 0.00 O ATOM 1094 CB PHE A 73 2.187 1.263 -11.051 1.00 0.00 C ATOM 1095 CG PHE A 73 3.281 0.844 -10.111 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.217 1.166 -8.765 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.375 0.130 -10.574 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.223 0.782 -7.897 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.383 -0.257 -9.711 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.307 0.071 -8.372 1.00 0.00 C ATOM 0 H PHE A 73 0.371 -0.169 -9.225 1.00 0.00 H new ATOM 0 HA PHE A 73 0.503 0.420 -12.086 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.613 1.432 -12.040 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.774 2.214 -10.715 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.372 1.723 -8.389 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.441 -0.127 -11.621 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.161 1.038 -6.850 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.229 -0.815 -10.084 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.095 -0.228 -7.697 1.00 0.00 H new ATOM 1110 N ASP A 74 2.108 -1.570 -12.388 1.00 0.00 N ATOM 1111 CA ASP A 74 2.688 -2.895 -12.569 1.00 0.00 C ATOM 1112 C ASP A 74 4.053 -2.988 -11.896 1.00 0.00 C ATOM 1113 O ASP A 74 4.956 -2.192 -12.156 1.00 0.00 O ATOM 1114 CB ASP A 74 2.816 -3.220 -14.058 1.00 0.00 C ATOM 1115 CG ASP A 74 1.564 -3.862 -14.621 1.00 0.00 C ATOM 1116 OD1 ASP A 74 0.486 -3.239 -14.531 1.00 0.00 O ATOM 1117 OD2 ASP A 74 1.661 -4.989 -15.151 1.00 0.00 O ATOM 0 H ASP A 74 2.103 -0.994 -13.229 1.00 0.00 H new ATOM 0 HA ASP A 74 2.023 -3.622 -12.102 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.031 -2.305 -14.609 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.663 -3.889 -14.209 1.00 0.00 H new