USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 MET CE :methyl -118:sc= -0.875 (180deg=-2.74!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 32 ASN : amide:sc= -0.121 K(o=-0.12,f=-1) USER MOD Single : A 34 LYS NZ :NH3+ -106:sc= -0.188 (180deg=-2.58!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0198 X(o=-0.02,f=-0.02) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -148:sc= -0.0572 (180deg=-0.66) USER MOD Single : A 46 SER OG : rot 180:sc= -0.566 USER MOD Single : A 52 THR OG1 : rot -129:sc= 1.06 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.13 USER MOD Single : A 62 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.48) USER MOD Single : A 66 GLN : amide:sc= -0.0576 X(o=-0.058,f=-0.058) USER MOD Single : A 71 ASN : amide:sc= -0.116 K(o=-0.12,f=-4.6!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0734 X(o=-0.073,f=-0.19) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 80 HIS : no HD1:sc= -0.905 K(o=-0.91,f=-0.22) USER MOD Single : A 82 GLN : amide:sc= -0.0292 K(o=-0.029,f=-1.2) USER MOD Single : A 88 LYS NZ :NH3+ -155:sc= -0.145 (180deg=-1.42) USER MOD Single : A 99 MET CE :methyl 151:sc= 0 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 171 N LEU A 16 3.987 -10.173 -15.264 1.00 0.00 N ATOM 172 CA LEU A 16 3.543 -9.570 -14.012 1.00 0.00 C ATOM 173 C LEU A 16 2.033 -9.355 -14.017 1.00 0.00 C ATOM 174 O LEU A 16 1.418 -9.223 -15.075 1.00 0.00 O ATOM 175 CB LEU A 16 4.259 -8.239 -13.781 1.00 0.00 C ATOM 176 CG LEU A 16 5.578 -8.310 -13.010 1.00 0.00 C ATOM 177 CD1 LEU A 16 5.321 -8.596 -11.539 1.00 0.00 C ATOM 178 CD2 LEU A 16 6.489 -9.370 -13.610 1.00 0.00 C ATOM 0 HA LEU A 16 3.791 -10.254 -13.200 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.453 -7.781 -14.751 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.583 -7.574 -13.244 1.00 0.00 H new ATOM 0 HG LEU A 16 6.076 -7.344 -13.089 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.271 -8.643 -11.006 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.706 -7.801 -11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.801 -9.549 -11.439 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.423 -9.407 -13.049 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.998 -10.342 -13.561 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.700 -9.122 -14.650 1.00 0.00 H new ATOM 190 N VAL A 17 1.441 -9.317 -12.827 1.00 0.00 N ATOM 191 CA VAL A 17 0.004 -9.114 -12.694 1.00 0.00 C ATOM 192 C VAL A 17 -0.321 -7.651 -12.413 1.00 0.00 C ATOM 193 O VAL A 17 0.437 -6.955 -11.736 1.00 0.00 O ATOM 194 CB VAL A 17 -0.584 -9.985 -11.568 1.00 0.00 C ATOM 195 CG1 VAL A 17 0.291 -9.915 -10.326 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.009 -9.554 -11.251 1.00 0.00 C ATOM 0 H VAL A 17 1.935 -9.424 -11.941 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.446 -9.407 -13.642 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.608 -11.020 -11.908 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.140 -10.537 -9.541 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.292 -10.275 -10.565 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.350 -8.883 -9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.409 -10.180 -10.453 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.011 -8.512 -10.931 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.628 -9.661 -12.142 1.00 0.00 H new ATOM 206 N LEU A 18 -1.451 -7.191 -12.936 1.00 0.00 N ATOM 207 CA LEU A 18 -1.878 -5.809 -12.741 1.00 0.00 C ATOM 208 C LEU A 18 -3.134 -5.744 -11.879 1.00 0.00 C ATOM 209 O LEU A 18 -4.073 -6.517 -12.073 1.00 0.00 O ATOM 210 CB LEU A 18 -2.136 -5.139 -14.092 1.00 0.00 C ATOM 211 CG LEU A 18 -3.030 -3.898 -14.065 1.00 0.00 C ATOM 212 CD1 LEU A 18 -2.233 -2.675 -13.639 1.00 0.00 C ATOM 213 CD2 LEU A 18 -3.669 -3.672 -15.428 1.00 0.00 C ATOM 0 H LEU A 18 -2.089 -7.754 -13.499 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.079 -5.276 -12.226 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.176 -4.861 -14.527 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.588 -5.873 -14.759 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.824 -4.061 -13.336 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.886 -1.802 -13.626 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.823 -2.837 -12.642 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.418 -2.508 -14.344 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.302 -2.785 -15.391 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.889 -3.530 -16.176 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.274 -4.539 -15.694 1.00 0.00 H new ATOM 225 N ILE A 19 -3.146 -4.815 -10.929 1.00 0.00 N ATOM 226 CA ILE A 19 -4.289 -4.647 -10.040 1.00 0.00 C ATOM 227 C ILE A 19 -5.079 -3.391 -10.392 1.00 0.00 C ATOM 228 O ILE A 19 -4.511 -2.308 -10.536 1.00 0.00 O ATOM 229 CB ILE A 19 -3.848 -4.566 -8.566 1.00 0.00 C ATOM 230 CG1 ILE A 19 -2.895 -5.715 -8.232 1.00 0.00 C ATOM 231 CG2 ILE A 19 -5.061 -4.592 -7.649 1.00 0.00 C ATOM 232 CD1 ILE A 19 -3.566 -7.071 -8.220 1.00 0.00 C ATOM 0 H ILE A 19 -2.377 -4.167 -10.755 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.924 -5.523 -10.174 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.320 -3.625 -8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.083 -5.726 -8.959 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.446 -5.532 -7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.734 -4.534 -6.611 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.706 -3.742 -7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.614 -5.518 -7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.831 -7.838 -7.976 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.359 -7.078 -7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.991 -7.275 -9.203 1.00 0.00 H new ATOM 244 N ARG A 20 -6.392 -3.544 -10.529 1.00 0.00 N ATOM 245 CA ARG A 20 -7.261 -2.422 -10.863 1.00 0.00 C ATOM 246 C ARG A 20 -8.347 -2.241 -9.806 1.00 0.00 C ATOM 247 O ARG A 20 -9.048 -3.189 -9.455 1.00 0.00 O ATOM 248 CB ARG A 20 -7.902 -2.637 -12.236 1.00 0.00 C ATOM 249 CG ARG A 20 -6.952 -2.391 -13.397 1.00 0.00 C ATOM 250 CD ARG A 20 -6.708 -0.905 -13.611 1.00 0.00 C ATOM 251 NE ARG A 20 -7.825 -0.261 -14.297 1.00 0.00 N ATOM 252 CZ ARG A 20 -8.848 0.304 -13.666 1.00 0.00 C ATOM 253 NH1 ARG A 20 -8.895 0.305 -12.341 1.00 0.00 N ATOM 254 NH2 ARG A 20 -9.827 0.871 -14.360 1.00 0.00 N ATOM 0 H ARG A 20 -6.877 -4.434 -10.414 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.651 -1.519 -10.891 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.279 -3.658 -12.296 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.762 -1.974 -12.334 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.004 -2.893 -13.205 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.366 -2.828 -14.306 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.547 -0.422 -12.647 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.797 -0.767 -14.193 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.819 -0.244 -15.317 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.144 -0.129 -11.804 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.682 0.740 -11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.794 0.873 -15.379 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.612 1.304 -13.874 1.00 0.00 H new ATOM 268 N MET A 21 -8.478 -1.018 -9.304 1.00 0.00 N ATOM 269 CA MET A 21 -9.478 -0.713 -8.287 1.00 0.00 C ATOM 270 C MET A 21 -9.545 0.788 -8.024 1.00 0.00 C ATOM 271 O MET A 21 -8.541 1.493 -8.130 1.00 0.00 O ATOM 272 CB MET A 21 -9.161 -1.457 -6.989 1.00 0.00 C ATOM 273 CG MET A 21 -8.031 -0.829 -6.189 1.00 0.00 C ATOM 274 SD MET A 21 -7.771 -1.640 -4.600 1.00 0.00 S ATOM 275 CE MET A 21 -6.179 -2.414 -4.871 1.00 0.00 C ATOM 0 H MET A 21 -7.905 -0.222 -9.584 1.00 0.00 H new ATOM 0 HA MET A 21 -10.449 -1.043 -8.657 1.00 0.00 H new ATOM 0 HB2 MET A 21 -10.058 -1.490 -6.371 1.00 0.00 H new ATOM 0 HB3 MET A 21 -8.898 -2.488 -7.226 1.00 0.00 H new ATOM 0 HG2 MET A 21 -7.110 -0.874 -6.771 1.00 0.00 H new ATOM 0 HG3 MET A 21 -8.251 0.225 -6.023 1.00 0.00 H new ATOM 0 HE1 MET A 21 -6.282 -3.496 -4.791 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.814 -2.157 -5.865 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.470 -2.061 -4.122 1.00 0.00 H new ATOM 285 N LYS A 22 -10.733 1.272 -7.679 1.00 0.00 N ATOM 286 CA LYS A 22 -10.932 2.689 -7.399 1.00 0.00 C ATOM 287 C LYS A 22 -11.111 2.928 -5.903 1.00 0.00 C ATOM 288 O LYS A 22 -11.712 2.124 -5.189 1.00 0.00 O ATOM 289 CB LYS A 22 -12.151 3.215 -8.160 1.00 0.00 C ATOM 290 CG LYS A 22 -13.457 2.562 -7.742 1.00 0.00 C ATOM 291 CD LYS A 22 -14.560 2.823 -8.754 1.00 0.00 C ATOM 292 CE LYS A 22 -15.936 2.587 -8.152 1.00 0.00 C ATOM 293 NZ LYS A 22 -16.196 1.140 -7.914 1.00 0.00 N ATOM 0 H LYS A 22 -11.574 0.703 -7.586 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.044 3.227 -7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.228 4.292 -8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.000 3.055 -9.227 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.309 1.488 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.759 2.943 -6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.490 3.850 -9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.423 2.173 -9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.019 3.131 -7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.698 2.988 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.144 1.021 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.142 0.625 -8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.484 0.763 -7.257 1.00 0.00 H new ATOM 307 N PRO A 23 -10.580 4.058 -5.415 1.00 0.00 N ATOM 308 CA PRO A 23 -10.671 4.430 -4.000 1.00 0.00 C ATOM 309 C PRO A 23 -12.090 4.804 -3.589 1.00 0.00 C ATOM 310 O PRO A 23 -12.925 5.134 -4.432 1.00 0.00 O ATOM 311 CB PRO A 23 -9.745 5.644 -3.892 1.00 0.00 C ATOM 312 CG PRO A 23 -9.720 6.225 -5.264 1.00 0.00 C ATOM 313 CD PRO A 23 -9.850 5.062 -6.208 1.00 0.00 C ATOM 0 HA PRO A 23 -10.394 3.605 -3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.119 6.364 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.746 5.352 -3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.537 6.934 -5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.792 6.769 -5.441 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.397 5.336 -7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -8.875 4.692 -6.526 1.00 0.00 H new ATOM 321 N ASP A 24 -12.358 4.751 -2.289 1.00 0.00 N ATOM 322 CA ASP A 24 -13.677 5.087 -1.766 1.00 0.00 C ATOM 323 C ASP A 24 -13.926 6.590 -1.841 1.00 0.00 C ATOM 324 O ASP A 24 -13.101 7.339 -2.363 1.00 0.00 O ATOM 325 CB ASP A 24 -13.813 4.607 -0.320 1.00 0.00 C ATOM 326 CG ASP A 24 -14.147 3.130 -0.229 1.00 0.00 C ATOM 327 OD1 ASP A 24 -13.895 2.404 -1.213 1.00 0.00 O ATOM 328 OD2 ASP A 24 -14.661 2.702 0.826 1.00 0.00 O ATOM 0 H ASP A 24 -11.679 4.479 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.423 4.583 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.882 4.799 0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.591 5.184 0.180 1.00 0.00 H new ATOM 333 N GLU A 25 -15.069 7.023 -1.317 1.00 0.00 N ATOM 334 CA GLU A 25 -15.426 8.436 -1.327 1.00 0.00 C ATOM 335 C GLU A 25 -14.392 9.264 -0.570 1.00 0.00 C ATOM 336 O GLU A 25 -13.996 10.340 -1.015 1.00 0.00 O ATOM 337 CB GLU A 25 -16.811 8.640 -0.710 1.00 0.00 C ATOM 338 CG GLU A 25 -17.953 8.279 -1.644 1.00 0.00 C ATOM 339 CD GLU A 25 -19.286 8.188 -0.928 1.00 0.00 C ATOM 340 OE1 GLU A 25 -19.432 7.304 -0.057 1.00 0.00 O ATOM 341 OE2 GLU A 25 -20.184 8.999 -1.237 1.00 0.00 O ATOM 0 H GLU A 25 -15.763 6.415 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.446 8.772 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.889 8.037 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.915 9.682 -0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.020 9.026 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.737 7.325 -2.124 1.00 0.00 H new ATOM 348 N ASN A 26 -13.960 8.753 0.579 1.00 0.00 N ATOM 349 CA ASN A 26 -12.973 9.445 1.400 1.00 0.00 C ATOM 350 C ASN A 26 -11.563 8.961 1.080 1.00 0.00 C ATOM 351 O ASN A 26 -10.650 9.092 1.894 1.00 0.00 O ATOM 352 CB ASN A 26 -13.274 9.230 2.885 1.00 0.00 C ATOM 353 CG ASN A 26 -14.753 9.344 3.198 1.00 0.00 C ATOM 354 OD1 ASN A 26 -15.456 10.182 2.632 1.00 0.00 O ATOM 355 ND2 ASN A 26 -15.233 8.500 4.104 1.00 0.00 N ATOM 0 H ASN A 26 -14.278 7.863 0.962 1.00 0.00 H new ATOM 0 HA ASN A 26 -13.032 10.510 1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.917 8.245 3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -12.723 9.963 3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.221 8.530 4.356 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -14.614 7.822 4.548 1.00 0.00 H new ATOM 362 N GLY A 27 -11.392 8.400 -0.114 1.00 0.00 N ATOM 363 CA GLY A 27 -10.091 7.904 -0.521 1.00 0.00 C ATOM 364 C GLY A 27 -9.516 6.905 0.463 1.00 0.00 C ATOM 365 O GLY A 27 -8.386 7.060 0.927 1.00 0.00 O ATOM 0 H GLY A 27 -12.132 8.281 -0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.175 7.436 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.403 8.743 -0.626 1.00 0.00 H new ATOM 369 N ARG A 28 -10.296 5.878 0.784 1.00 0.00 N ATOM 370 CA ARG A 28 -9.859 4.851 1.722 1.00 0.00 C ATOM 371 C ARG A 28 -9.886 3.472 1.070 1.00 0.00 C ATOM 372 O ARG A 28 -10.866 3.098 0.425 1.00 0.00 O ATOM 373 CB ARG A 28 -10.749 4.856 2.967 1.00 0.00 C ATOM 374 CG ARG A 28 -10.698 6.159 3.747 1.00 0.00 C ATOM 375 CD ARG A 28 -9.537 6.176 4.729 1.00 0.00 C ATOM 376 NE ARG A 28 -9.048 7.529 4.976 1.00 0.00 N ATOM 377 CZ ARG A 28 -8.162 7.830 5.919 1.00 0.00 C ATOM 378 NH1 ARG A 28 -7.671 6.878 6.700 1.00 0.00 N ATOM 379 NH2 ARG A 28 -7.765 9.086 6.082 1.00 0.00 N ATOM 0 H ARG A 28 -11.234 5.735 0.408 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.833 5.075 2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.779 4.662 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.448 4.038 3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.602 6.995 3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.635 6.298 4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.853 5.727 5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.724 5.562 4.340 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.406 8.285 4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.973 5.912 6.578 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.991 7.112 7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.140 9.821 5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.085 9.316 6.806 1.00 0.00 H new ATOM 393 N PHE A 29 -8.804 2.720 1.242 1.00 0.00 N ATOM 394 CA PHE A 29 -8.703 1.383 0.669 1.00 0.00 C ATOM 395 C PHE A 29 -8.898 0.316 1.742 1.00 0.00 C ATOM 396 O PHE A 29 -9.030 0.626 2.925 1.00 0.00 O ATOM 397 CB PHE A 29 -7.344 1.198 -0.009 1.00 0.00 C ATOM 398 CG PHE A 29 -7.215 1.943 -1.307 1.00 0.00 C ATOM 399 CD1 PHE A 29 -6.875 3.286 -1.319 1.00 0.00 C ATOM 400 CD2 PHE A 29 -7.434 1.300 -2.515 1.00 0.00 C ATOM 401 CE1 PHE A 29 -6.756 3.974 -2.512 1.00 0.00 C ATOM 402 CE2 PHE A 29 -7.317 1.983 -3.711 1.00 0.00 C ATOM 403 CZ PHE A 29 -6.976 3.321 -3.709 1.00 0.00 C ATOM 0 H PHE A 29 -7.985 3.014 1.774 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.491 1.273 -0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.560 1.530 0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.179 0.136 -0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.701 3.801 -0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.699 0.253 -2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.491 5.021 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.492 1.471 -4.646 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.881 3.856 -4.642 1.00 0.00 H new ATOM 413 N GLY A 30 -8.917 -0.945 1.318 1.00 0.00 N ATOM 414 CA GLY A 30 -9.098 -2.039 2.253 1.00 0.00 C ATOM 415 C GLY A 30 -8.055 -3.126 2.082 1.00 0.00 C ATOM 416 O GLY A 30 -8.372 -4.240 1.662 1.00 0.00 O ATOM 0 H GLY A 30 -8.810 -1.227 0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.053 -1.654 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.091 -2.468 2.118 1.00 0.00 H new ATOM 420 N PHE A 31 -6.807 -2.804 2.405 1.00 0.00 N ATOM 421 CA PHE A 31 -5.714 -3.761 2.282 1.00 0.00 C ATOM 422 C PHE A 31 -4.531 -3.350 3.155 1.00 0.00 C ATOM 423 O PHE A 31 -4.142 -2.184 3.182 1.00 0.00 O ATOM 424 CB PHE A 31 -5.270 -3.875 0.822 1.00 0.00 C ATOM 425 CG PHE A 31 -4.581 -2.644 0.307 1.00 0.00 C ATOM 426 CD1 PHE A 31 -5.308 -1.625 -0.287 1.00 0.00 C ATOM 427 CD2 PHE A 31 -3.207 -2.505 0.418 1.00 0.00 C ATOM 428 CE1 PHE A 31 -4.676 -0.491 -0.763 1.00 0.00 C ATOM 429 CE2 PHE A 31 -2.570 -1.373 -0.055 1.00 0.00 C ATOM 430 CZ PHE A 31 -3.306 -0.365 -0.645 1.00 0.00 C ATOM 0 H PHE A 31 -6.527 -1.887 2.754 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.074 -4.732 2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.598 -4.727 0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.142 -4.081 0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.380 -1.717 -0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.627 -3.290 0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.253 0.295 -1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.498 -1.277 0.037 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.811 0.521 -1.014 1.00 0.00 H new ATOM 440 N ASN A 32 -3.965 -4.319 3.867 1.00 0.00 N ATOM 441 CA ASN A 32 -2.828 -4.059 4.742 1.00 0.00 C ATOM 442 C ASN A 32 -1.518 -4.438 4.058 1.00 0.00 C ATOM 443 O ASN A 32 -1.489 -5.303 3.182 1.00 0.00 O ATOM 444 CB ASN A 32 -2.976 -4.838 6.051 1.00 0.00 C ATOM 445 CG ASN A 32 -4.266 -4.508 6.777 1.00 0.00 C ATOM 446 OD1 ASN A 32 -5.358 -4.793 6.286 1.00 0.00 O ATOM 447 ND2 ASN A 32 -4.145 -3.902 7.953 1.00 0.00 N ATOM 0 H ASN A 32 -4.275 -5.291 3.855 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.808 -2.992 4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.944 -5.907 5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.129 -4.616 6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.978 -3.654 8.487 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.219 -3.685 8.322 1.00 0.00 H new ATOM 454 N VAL A 33 -0.434 -3.785 4.465 1.00 0.00 N ATOM 455 CA VAL A 33 0.880 -4.054 3.893 1.00 0.00 C ATOM 456 C VAL A 33 1.911 -4.319 4.984 1.00 0.00 C ATOM 457 O VAL A 33 1.638 -4.133 6.170 1.00 0.00 O ATOM 458 CB VAL A 33 1.364 -2.880 3.020 1.00 0.00 C ATOM 459 CG1 VAL A 33 0.686 -2.912 1.659 1.00 0.00 C ATOM 460 CG2 VAL A 33 1.107 -1.555 3.721 1.00 0.00 C ATOM 0 H VAL A 33 -0.440 -3.066 5.189 1.00 0.00 H new ATOM 0 HA VAL A 33 0.777 -4.943 3.270 1.00 0.00 H new ATOM 0 HB VAL A 33 2.438 -2.982 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.040 -2.076 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.925 -3.849 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.394 -2.835 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.455 -0.736 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.039 -1.442 3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.643 -1.535 4.670 1.00 0.00 H new ATOM 470 N LYS A 34 3.098 -4.756 4.576 1.00 0.00 N ATOM 471 CA LYS A 34 4.172 -5.046 5.518 1.00 0.00 C ATOM 472 C LYS A 34 5.536 -4.854 4.864 1.00 0.00 C ATOM 473 O LYS A 34 5.846 -5.485 3.854 1.00 0.00 O ATOM 474 CB LYS A 34 4.044 -6.477 6.045 1.00 0.00 C ATOM 475 CG LYS A 34 3.468 -7.449 5.030 1.00 0.00 C ATOM 476 CD LYS A 34 3.480 -8.875 5.554 1.00 0.00 C ATOM 477 CE LYS A 34 4.769 -9.593 5.186 1.00 0.00 C ATOM 478 NZ LYS A 34 4.701 -10.192 3.824 1.00 0.00 N ATOM 0 H LYS A 34 3.340 -4.917 3.598 1.00 0.00 H new ATOM 0 HA LYS A 34 4.087 -4.349 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.027 -6.830 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.411 -6.473 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.446 -7.159 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.044 -7.395 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.364 -8.867 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.629 -9.421 5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.602 -8.891 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.970 -10.376 5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.597 -11.224 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.884 -9.800 3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.574 -9.971 3.304 1.00 0.00 H new ATOM 492 N GLY A 35 6.350 -3.978 5.447 1.00 0.00 N ATOM 493 CA GLY A 35 7.672 -3.720 4.907 1.00 0.00 C ATOM 494 C GLY A 35 7.930 -2.243 4.687 1.00 0.00 C ATOM 495 O GLY A 35 7.197 -1.395 5.194 1.00 0.00 O ATOM 0 H GLY A 35 6.117 -3.443 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.424 -4.119 5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.785 -4.250 3.961 1.00 0.00 H new ATOM 499 N GLY A 36 8.978 -1.933 3.929 1.00 0.00 N ATOM 500 CA GLY A 36 9.313 -0.547 3.658 1.00 0.00 C ATOM 501 C GLY A 36 10.806 -0.290 3.716 1.00 0.00 C ATOM 502 O GLY A 36 11.551 -1.053 4.332 1.00 0.00 O ATOM 0 H GLY A 36 9.600 -2.617 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.938 -0.272 2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.809 0.094 4.381 1.00 0.00 H new ATOM 506 N TYR A 37 11.245 0.786 3.073 1.00 0.00 N ATOM 507 CA TYR A 37 12.660 1.139 3.050 1.00 0.00 C ATOM 508 C TYR A 37 13.290 0.951 4.427 1.00 0.00 C ATOM 509 O TYR A 37 14.471 0.623 4.542 1.00 0.00 O ATOM 510 CB TYR A 37 12.838 2.586 2.588 1.00 0.00 C ATOM 511 CG TYR A 37 14.118 3.224 3.078 1.00 0.00 C ATOM 512 CD1 TYR A 37 14.234 3.682 4.385 1.00 0.00 C ATOM 513 CD2 TYR A 37 15.212 3.371 2.234 1.00 0.00 C ATOM 514 CE1 TYR A 37 15.401 4.267 4.837 1.00 0.00 C ATOM 515 CE2 TYR A 37 16.384 3.953 2.678 1.00 0.00 C ATOM 516 CZ TYR A 37 16.473 4.399 3.980 1.00 0.00 C ATOM 517 OH TYR A 37 17.638 4.981 4.425 1.00 0.00 O ATOM 0 H TYR A 37 10.642 1.429 2.561 1.00 0.00 H new ATOM 0 HA TYR A 37 13.163 0.476 2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.821 2.616 1.499 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.991 3.177 2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.397 3.579 5.059 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.145 3.024 1.213 1.00 0.00 H new ATOM 0 HE1 TYR A 37 15.473 4.619 5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.226 4.058 2.009 1.00 0.00 H new ATOM 0 HH TYR A 37 18.295 4.996 3.698 1.00 0.00 H new ATOM 527 N ASP A 38 12.492 1.162 5.469 1.00 0.00 N ATOM 528 CA ASP A 38 12.970 1.015 6.839 1.00 0.00 C ATOM 529 C ASP A 38 13.687 -0.319 7.025 1.00 0.00 C ATOM 530 O ASP A 38 14.742 -0.384 7.655 1.00 0.00 O ATOM 531 CB ASP A 38 11.803 1.122 7.822 1.00 0.00 C ATOM 532 CG ASP A 38 11.477 2.558 8.180 1.00 0.00 C ATOM 533 OD1 ASP A 38 12.411 3.307 8.535 1.00 0.00 O ATOM 534 OD2 ASP A 38 10.288 2.934 8.105 1.00 0.00 O ATOM 0 H ASP A 38 11.512 1.435 5.391 1.00 0.00 H new ATOM 0 HA ASP A 38 13.679 1.818 7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.922 0.650 7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.045 0.570 8.730 1.00 0.00 H new ATOM 539 N GLN A 39 13.106 -1.379 6.472 1.00 0.00 N ATOM 540 CA GLN A 39 13.689 -2.711 6.579 1.00 0.00 C ATOM 541 C GLN A 39 14.221 -3.182 5.229 1.00 0.00 C ATOM 542 O GLN A 39 14.174 -4.371 4.911 1.00 0.00 O ATOM 543 CB GLN A 39 12.652 -3.704 7.106 1.00 0.00 C ATOM 544 CG GLN A 39 12.369 -3.556 8.593 1.00 0.00 C ATOM 545 CD GLN A 39 13.496 -4.086 9.457 1.00 0.00 C ATOM 546 OE1 GLN A 39 14.242 -3.317 10.065 1.00 0.00 O ATOM 547 NE2 GLN A 39 13.626 -5.406 9.518 1.00 0.00 N ATOM 0 H GLN A 39 12.233 -1.341 5.946 1.00 0.00 H new ATOM 0 HA GLN A 39 14.522 -2.660 7.280 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.722 -3.573 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.000 -4.718 6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.203 -2.504 8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.448 -4.086 8.838 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.986 -6.006 8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.366 -5.820 10.085 1.00 0.00 H new ATOM 556 N LYS A 40 14.728 -2.243 4.438 1.00 0.00 N ATOM 557 CA LYS A 40 15.270 -2.561 3.123 1.00 0.00 C ATOM 558 C LYS A 40 14.480 -3.688 2.466 1.00 0.00 C ATOM 559 O LYS A 40 15.034 -4.491 1.716 1.00 0.00 O ATOM 560 CB LYS A 40 16.744 -2.956 3.238 1.00 0.00 C ATOM 561 CG LYS A 40 17.641 -1.827 3.718 1.00 0.00 C ATOM 562 CD LYS A 40 17.841 -0.777 2.638 1.00 0.00 C ATOM 563 CE LYS A 40 18.757 0.341 3.112 1.00 0.00 C ATOM 564 NZ LYS A 40 20.190 -0.062 3.071 1.00 0.00 N ATOM 0 H LYS A 40 14.775 -1.255 4.685 1.00 0.00 H new ATOM 0 HA LYS A 40 15.186 -1.671 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.833 -3.797 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.096 -3.300 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.202 -1.363 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 40 18.608 -2.231 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.265 -1.244 1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.876 -0.361 2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.609 1.221 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.488 0.624 4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.782 0.727 3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.336 -0.887 3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.454 -0.308 2.095 1.00 0.00 H new ATOM 578 N MET A 41 13.184 -3.742 2.753 1.00 0.00 N ATOM 579 CA MET A 41 12.318 -4.770 2.188 1.00 0.00 C ATOM 580 C MET A 41 11.159 -4.143 1.420 1.00 0.00 C ATOM 581 O MET A 41 10.725 -3.027 1.707 1.00 0.00 O ATOM 582 CB MET A 41 11.780 -5.679 3.295 1.00 0.00 C ATOM 583 CG MET A 41 10.727 -5.015 4.168 1.00 0.00 C ATOM 584 SD MET A 41 9.988 -6.155 5.353 1.00 0.00 S ATOM 585 CE MET A 41 8.835 -7.035 4.303 1.00 0.00 C ATOM 0 H MET A 41 12.710 -3.086 3.374 1.00 0.00 H new ATOM 0 HA MET A 41 12.910 -5.367 1.494 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.354 -6.575 2.843 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.610 -6.003 3.923 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.179 -4.181 4.705 1.00 0.00 H new ATOM 0 HG3 MET A 41 9.944 -4.599 3.534 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.960 -7.324 4.886 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.526 -6.390 3.481 1.00 0.00 H new ATOM 0 HE3 MET A 41 9.316 -7.928 3.903 1.00 0.00 H new ATOM 595 N PRO A 42 10.644 -4.876 0.422 1.00 0.00 N ATOM 596 CA PRO A 42 9.528 -4.411 -0.407 1.00 0.00 C ATOM 597 C PRO A 42 8.214 -4.361 0.365 1.00 0.00 C ATOM 598 O PRO A 42 8.122 -4.859 1.487 1.00 0.00 O ATOM 599 CB PRO A 42 9.454 -5.457 -1.522 1.00 0.00 C ATOM 600 CG PRO A 42 10.048 -6.687 -0.927 1.00 0.00 C ATOM 601 CD PRO A 42 11.111 -6.214 0.025 1.00 0.00 C ATOM 0 HA PRO A 42 9.684 -3.394 -0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.425 -5.627 -1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.009 -5.136 -2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.291 -7.274 -0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.473 -7.328 -1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.205 -6.878 0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 42 12.089 -6.172 -0.454 1.00 0.00 H new ATOM 609 N VAL A 43 7.197 -3.758 -0.244 1.00 0.00 N ATOM 610 CA VAL A 43 5.887 -3.645 0.386 1.00 0.00 C ATOM 611 C VAL A 43 4.994 -4.822 0.011 1.00 0.00 C ATOM 612 O VAL A 43 4.442 -4.868 -1.089 1.00 0.00 O ATOM 613 CB VAL A 43 5.185 -2.333 -0.012 1.00 0.00 C ATOM 614 CG1 VAL A 43 3.772 -2.292 0.551 1.00 0.00 C ATOM 615 CG2 VAL A 43 5.991 -1.133 0.461 1.00 0.00 C ATOM 0 H VAL A 43 7.256 -3.340 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 43 6.052 -3.647 1.463 1.00 0.00 H new ATOM 0 HB VAL A 43 5.119 -2.291 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.291 -1.358 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.199 -3.132 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.812 -2.356 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.480 -0.215 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.090 -1.166 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.981 -1.157 0.005 1.00 0.00 H new ATOM 625 N ILE A 44 4.856 -5.770 0.931 1.00 0.00 N ATOM 626 CA ILE A 44 4.027 -6.946 0.697 1.00 0.00 C ATOM 627 C ILE A 44 2.745 -6.888 1.520 1.00 0.00 C ATOM 628 O ILE A 44 2.746 -6.420 2.658 1.00 0.00 O ATOM 629 CB ILE A 44 4.784 -8.244 1.036 1.00 0.00 C ATOM 630 CG1 ILE A 44 6.141 -8.269 0.330 1.00 0.00 C ATOM 631 CG2 ILE A 44 3.955 -9.458 0.645 1.00 0.00 C ATOM 632 CD1 ILE A 44 7.168 -7.356 0.962 1.00 0.00 C ATOM 0 H ILE A 44 5.307 -5.747 1.845 1.00 0.00 H new ATOM 0 HA ILE A 44 3.774 -6.948 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 44 4.955 -8.276 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.524 -9.290 0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.004 -7.982 -0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.503 -10.367 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.011 -9.445 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.756 -9.433 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.105 -7.425 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.806 -6.328 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.334 -7.656 1.997 1.00 0.00 H new ATOM 644 N VAL A 45 1.652 -7.369 0.937 1.00 0.00 N ATOM 645 CA VAL A 45 0.362 -7.375 1.617 1.00 0.00 C ATOM 646 C VAL A 45 0.365 -8.348 2.791 1.00 0.00 C ATOM 647 O VAL A 45 0.786 -9.497 2.658 1.00 0.00 O ATOM 648 CB VAL A 45 -0.779 -7.754 0.654 1.00 0.00 C ATOM 649 CG1 VAL A 45 -2.103 -7.834 1.399 1.00 0.00 C ATOM 650 CG2 VAL A 45 -0.862 -6.756 -0.492 1.00 0.00 C ATOM 0 H VAL A 45 1.634 -7.760 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 45 0.194 -6.363 1.987 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.566 -8.737 0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.897 -8.103 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.035 -8.590 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.327 -6.866 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.673 -7.039 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.051 -5.759 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.079 -6.754 -1.042 1.00 0.00 H new ATOM 660 N SER A 46 -0.110 -7.880 3.941 1.00 0.00 N ATOM 661 CA SER A 46 -0.159 -8.707 5.141 1.00 0.00 C ATOM 662 C SER A 46 -1.519 -9.387 5.276 1.00 0.00 C ATOM 663 O SER A 46 -1.606 -10.611 5.370 1.00 0.00 O ATOM 664 CB SER A 46 0.125 -7.859 6.382 1.00 0.00 C ATOM 665 OG SER A 46 -0.804 -6.796 6.498 1.00 0.00 O ATOM 0 H SER A 46 -0.466 -6.933 4.067 1.00 0.00 H new ATOM 0 HA SER A 46 0.607 -9.478 5.053 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.078 -8.486 7.273 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.137 -7.457 6.328 1.00 0.00 H new ATOM 0 HG SER A 46 -0.601 -6.271 7.300 1.00 0.00 H new ATOM 671 N ARG A 47 -2.577 -8.583 5.285 1.00 0.00 N ATOM 672 CA ARG A 47 -3.932 -9.105 5.410 1.00 0.00 C ATOM 673 C ARG A 47 -4.901 -8.319 4.532 1.00 0.00 C ATOM 674 O ARG A 47 -4.616 -7.190 4.131 1.00 0.00 O ATOM 675 CB ARG A 47 -4.390 -9.051 6.869 1.00 0.00 C ATOM 676 CG ARG A 47 -5.398 -10.129 7.232 1.00 0.00 C ATOM 677 CD ARG A 47 -4.752 -11.505 7.269 1.00 0.00 C ATOM 678 NE ARG A 47 -4.233 -11.830 8.595 1.00 0.00 N ATOM 679 CZ ARG A 47 -3.707 -13.009 8.910 1.00 0.00 C ATOM 680 NH1 ARG A 47 -3.630 -13.969 7.999 1.00 0.00 N ATOM 681 NH2 ARG A 47 -3.255 -13.228 10.138 1.00 0.00 N ATOM 0 H ARG A 47 -2.522 -7.567 5.207 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.927 -10.143 5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.519 -9.146 7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.829 -8.073 7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.837 -9.906 8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.212 -10.127 6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.483 -12.257 6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.940 -11.544 6.542 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.277 -11.113 9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.975 -13.804 7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.226 -14.873 8.244 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.311 -12.491 10.841 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.851 -14.133 10.379 1.00 0.00 H new ATOM 695 N VAL A 48 -6.048 -8.923 4.237 1.00 0.00 N ATOM 696 CA VAL A 48 -7.059 -8.280 3.407 1.00 0.00 C ATOM 697 C VAL A 48 -8.450 -8.445 4.009 1.00 0.00 C ATOM 698 O VAL A 48 -8.937 -9.562 4.176 1.00 0.00 O ATOM 699 CB VAL A 48 -7.060 -8.853 1.977 1.00 0.00 C ATOM 700 CG1 VAL A 48 -8.056 -8.107 1.103 1.00 0.00 C ATOM 701 CG2 VAL A 48 -5.662 -8.792 1.379 1.00 0.00 C ATOM 0 H VAL A 48 -6.300 -9.857 4.561 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.807 -7.220 3.366 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.366 -9.898 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.042 -8.526 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.056 -8.207 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.784 -7.052 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.680 -9.201 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.326 -7.756 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.977 -9.376 1.994 1.00 0.00 H new ATOM 711 N ALA A 49 -9.086 -7.323 4.332 1.00 0.00 N ATOM 712 CA ALA A 49 -10.422 -7.343 4.913 1.00 0.00 C ATOM 713 C ALA A 49 -11.484 -7.563 3.841 1.00 0.00 C ATOM 714 O ALA A 49 -11.319 -7.181 2.682 1.00 0.00 O ATOM 715 CB ALA A 49 -10.690 -6.048 5.666 1.00 0.00 C ATOM 0 H ALA A 49 -8.697 -6.389 4.201 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.473 -8.176 5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.692 -6.077 6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.957 -5.933 6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.614 -5.205 4.979 1.00 0.00 H new ATOM 721 N PRO A 50 -12.601 -8.193 4.234 1.00 0.00 N ATOM 722 CA PRO A 50 -13.712 -8.478 3.321 1.00 0.00 C ATOM 723 C PRO A 50 -14.455 -7.215 2.900 1.00 0.00 C ATOM 724 O PRO A 50 -14.237 -6.140 3.457 1.00 0.00 O ATOM 725 CB PRO A 50 -14.626 -9.387 4.147 1.00 0.00 C ATOM 726 CG PRO A 50 -14.324 -9.040 5.564 1.00 0.00 C ATOM 727 CD PRO A 50 -12.866 -8.676 5.600 1.00 0.00 C ATOM 0 HA PRO A 50 -13.369 -8.929 2.390 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.676 -9.212 3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.425 -10.439 3.945 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -14.942 -8.208 5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.532 -9.882 6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.662 -7.907 6.345 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.243 -9.535 5.850 1.00 0.00 H new ATOM 735 N GLY A 51 -15.336 -7.353 1.913 1.00 0.00 N ATOM 736 CA GLY A 51 -16.098 -6.214 1.435 1.00 0.00 C ATOM 737 C GLY A 51 -15.226 -5.004 1.166 1.00 0.00 C ATOM 738 O GLY A 51 -15.591 -3.878 1.505 1.00 0.00 O ATOM 0 H GLY A 51 -15.535 -8.233 1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.623 -6.490 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.858 -5.954 2.172 1.00 0.00 H new ATOM 742 N THR A 52 -14.069 -5.235 0.554 1.00 0.00 N ATOM 743 CA THR A 52 -13.141 -4.156 0.242 1.00 0.00 C ATOM 744 C THR A 52 -12.892 -4.061 -1.259 1.00 0.00 C ATOM 745 O THR A 52 -13.004 -5.043 -1.994 1.00 0.00 O ATOM 746 CB THR A 52 -11.793 -4.347 0.963 1.00 0.00 C ATOM 747 OG1 THR A 52 -11.307 -5.677 0.748 1.00 0.00 O ATOM 748 CG2 THR A 52 -11.936 -4.089 2.455 1.00 0.00 C ATOM 0 H THR A 52 -13.752 -6.160 0.265 1.00 0.00 H new ATOM 0 HA THR A 52 -13.603 -3.232 0.590 1.00 0.00 H new ATOM 0 HB THR A 52 -11.082 -3.630 0.553 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.071 -6.082 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.971 -4.230 2.943 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.278 -3.067 2.616 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.661 -4.785 2.877 1.00 0.00 H new ATOM 756 N PRO A 53 -12.546 -2.853 -1.728 1.00 0.00 N ATOM 757 CA PRO A 53 -12.273 -2.603 -3.146 1.00 0.00 C ATOM 758 C PRO A 53 -10.980 -3.262 -3.613 1.00 0.00 C ATOM 759 O PRO A 53 -10.583 -3.121 -4.769 1.00 0.00 O ATOM 760 CB PRO A 53 -12.153 -1.079 -3.220 1.00 0.00 C ATOM 761 CG PRO A 53 -11.742 -0.664 -1.850 1.00 0.00 C ATOM 762 CD PRO A 53 -12.394 -1.639 -0.909 1.00 0.00 C ATOM 0 HA PRO A 53 -13.050 -3.015 -3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.416 -0.776 -3.963 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.100 -0.621 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.657 -0.686 -1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.062 0.356 -1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.777 -1.822 -0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.356 -1.271 -0.553 1.00 0.00 H new ATOM 770 N ALA A 54 -10.329 -3.984 -2.707 1.00 0.00 N ATOM 771 CA ALA A 54 -9.082 -4.667 -3.027 1.00 0.00 C ATOM 772 C ALA A 54 -9.274 -6.180 -3.048 1.00 0.00 C ATOM 773 O ALA A 54 -8.420 -6.917 -3.540 1.00 0.00 O ATOM 774 CB ALA A 54 -7.999 -4.285 -2.029 1.00 0.00 C ATOM 0 H ALA A 54 -10.645 -4.111 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.770 -4.352 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.073 -4.803 -2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.834 -3.208 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.313 -4.570 -1.025 1.00 0.00 H new ATOM 780 N ASP A 55 -10.401 -6.635 -2.510 1.00 0.00 N ATOM 781 CA ASP A 55 -10.706 -8.061 -2.468 1.00 0.00 C ATOM 782 C ASP A 55 -11.686 -8.440 -3.573 1.00 0.00 C ATOM 783 O ASP A 55 -11.515 -9.456 -4.248 1.00 0.00 O ATOM 784 CB ASP A 55 -11.284 -8.439 -1.103 1.00 0.00 C ATOM 785 CG ASP A 55 -11.116 -9.914 -0.793 1.00 0.00 C ATOM 786 OD1 ASP A 55 -9.974 -10.411 -0.878 1.00 0.00 O ATOM 787 OD2 ASP A 55 -12.127 -10.570 -0.465 1.00 0.00 O ATOM 0 H ASP A 55 -11.118 -6.038 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.779 -8.612 -2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.794 -7.849 -0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.343 -8.183 -1.076 1.00 0.00 H new ATOM 792 N LEU A 56 -12.715 -7.619 -3.751 1.00 0.00 N ATOM 793 CA LEU A 56 -13.725 -7.868 -4.774 1.00 0.00 C ATOM 794 C LEU A 56 -13.184 -7.547 -6.163 1.00 0.00 C ATOM 795 O LEU A 56 -13.658 -8.085 -7.165 1.00 0.00 O ATOM 796 CB LEU A 56 -14.977 -7.034 -4.497 1.00 0.00 C ATOM 797 CG LEU A 56 -15.513 -7.082 -3.066 1.00 0.00 C ATOM 798 CD1 LEU A 56 -16.217 -5.781 -2.715 1.00 0.00 C ATOM 799 CD2 LEU A 56 -16.454 -8.265 -2.888 1.00 0.00 C ATOM 0 H LEU A 56 -12.872 -6.775 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.986 -8.926 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.760 -5.996 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.767 -7.366 -5.171 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.670 -7.209 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.592 -5.834 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.514 -4.952 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.051 -5.622 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.826 -8.283 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.293 -8.169 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.918 -9.191 -3.096 1.00 0.00 H new ATOM 811 N CYS A 57 -12.187 -6.670 -6.216 1.00 0.00 N ATOM 812 CA CYS A 57 -11.580 -6.279 -7.483 1.00 0.00 C ATOM 813 C CYS A 57 -10.855 -7.457 -8.126 1.00 0.00 C ATOM 814 O CYS A 57 -10.536 -8.442 -7.459 1.00 0.00 O ATOM 815 CB CYS A 57 -10.605 -5.120 -7.269 1.00 0.00 C ATOM 816 SG CYS A 57 -9.106 -5.575 -6.364 1.00 0.00 S ATOM 0 H CYS A 57 -11.782 -6.217 -5.397 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.376 -5.956 -8.154 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.321 -4.714 -8.240 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.116 -4.324 -6.727 1.00 0.00 H new ATOM 0 HG CYS A 57 -8.343 -4.530 -6.234 1.00 0.00 H new ATOM 822 N VAL A 58 -10.599 -7.351 -9.426 1.00 0.00 N ATOM 823 CA VAL A 58 -9.912 -8.407 -10.159 1.00 0.00 C ATOM 824 C VAL A 58 -8.730 -7.852 -10.945 1.00 0.00 C ATOM 825 O VAL A 58 -8.826 -6.826 -11.618 1.00 0.00 O ATOM 826 CB VAL A 58 -10.867 -9.128 -11.130 1.00 0.00 C ATOM 827 CG1 VAL A 58 -10.130 -10.218 -11.892 1.00 0.00 C ATOM 828 CG2 VAL A 58 -12.057 -9.703 -10.378 1.00 0.00 C ATOM 0 H VAL A 58 -10.857 -6.544 -9.993 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.549 -9.121 -9.420 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.240 -8.402 -11.852 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.820 -10.716 -12.573 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.314 -9.775 -12.463 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.727 -10.945 -11.187 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.721 -10.209 -11.079 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.706 -10.416 -9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.598 -8.897 -9.883 1.00 0.00 H new ATOM 838 N PRO A 59 -7.585 -8.545 -10.859 1.00 0.00 N ATOM 839 CA PRO A 59 -7.457 -9.768 -10.060 1.00 0.00 C ATOM 840 C PRO A 59 -7.516 -9.490 -8.562 1.00 0.00 C ATOM 841 O PRO A 59 -7.001 -8.477 -8.088 1.00 0.00 O ATOM 842 CB PRO A 59 -6.078 -10.305 -10.451 1.00 0.00 C ATOM 843 CG PRO A 59 -5.317 -9.105 -10.898 1.00 0.00 C ATOM 844 CD PRO A 59 -6.326 -8.188 -11.534 1.00 0.00 C ATOM 0 HA PRO A 59 -8.271 -10.467 -10.251 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.589 -10.792 -9.607 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.153 -11.046 -11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.824 -8.619 -10.056 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.537 -9.380 -11.608 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.070 -7.140 -11.379 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.389 -8.345 -12.611 1.00 0.00 H new ATOM 852 N ARG A 60 -8.146 -10.396 -7.821 1.00 0.00 N ATOM 853 CA ARG A 60 -8.272 -10.248 -6.376 1.00 0.00 C ATOM 854 C ARG A 60 -6.902 -10.088 -5.725 1.00 0.00 C ATOM 855 O ARG A 60 -5.988 -10.875 -5.974 1.00 0.00 O ATOM 856 CB ARG A 60 -8.994 -11.457 -5.779 1.00 0.00 C ATOM 857 CG ARG A 60 -8.852 -11.567 -4.270 1.00 0.00 C ATOM 858 CD ARG A 60 -9.941 -12.443 -3.670 1.00 0.00 C ATOM 859 NE ARG A 60 -9.649 -12.809 -2.287 1.00 0.00 N ATOM 860 CZ ARG A 60 -10.477 -13.512 -1.522 1.00 0.00 C ATOM 861 NH1 ARG A 60 -11.642 -13.923 -2.004 1.00 0.00 N ATOM 862 NH2 ARG A 60 -10.140 -13.806 -0.273 1.00 0.00 N ATOM 0 H ARG A 60 -8.577 -11.240 -8.198 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.857 -9.350 -6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.053 -11.399 -6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.605 -12.365 -6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.874 -11.981 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.897 -10.573 -3.826 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.894 -11.916 -3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.050 -13.347 -4.269 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.761 -12.508 -1.886 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.904 -13.700 -2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.276 -14.463 -1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.244 -13.492 0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.777 -14.346 0.313 1.00 0.00 H new ATOM 876 N LEU A 61 -6.766 -9.064 -4.889 1.00 0.00 N ATOM 877 CA LEU A 61 -5.507 -8.799 -4.202 1.00 0.00 C ATOM 878 C LEU A 61 -5.356 -9.697 -2.978 1.00 0.00 C ATOM 879 O LEU A 61 -5.939 -9.434 -1.927 1.00 0.00 O ATOM 880 CB LEU A 61 -5.431 -7.330 -3.782 1.00 0.00 C ATOM 881 CG LEU A 61 -4.107 -6.875 -3.167 1.00 0.00 C ATOM 882 CD1 LEU A 61 -3.001 -6.888 -4.211 1.00 0.00 C ATOM 883 CD2 LEU A 61 -4.250 -5.489 -2.557 1.00 0.00 C ATOM 0 H LEU A 61 -7.512 -8.404 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.692 -9.016 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.634 -6.712 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.228 -7.137 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.839 -7.573 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.066 -6.561 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.881 -7.899 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.262 -6.213 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.298 -5.182 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.543 -4.779 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.012 -5.511 -1.778 1.00 0.00 H new ATOM 895 N ASN A 62 -4.567 -10.757 -3.122 1.00 0.00 N ATOM 896 CA ASN A 62 -4.338 -11.694 -2.028 1.00 0.00 C ATOM 897 C ASN A 62 -3.066 -11.337 -1.264 1.00 0.00 C ATOM 898 O ASN A 62 -2.261 -10.529 -1.725 1.00 0.00 O ATOM 899 CB ASN A 62 -4.240 -13.123 -2.564 1.00 0.00 C ATOM 900 CG ASN A 62 -5.588 -13.816 -2.613 1.00 0.00 C ATOM 901 OD1 ASN A 62 -5.998 -14.470 -1.654 1.00 0.00 O ATOM 902 ND2 ASN A 62 -6.285 -13.675 -3.735 1.00 0.00 N ATOM 0 H ASN A 62 -4.076 -10.988 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.183 -11.628 -1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.808 -13.104 -3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.561 -13.699 -1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.199 -14.118 -3.827 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.906 -13.124 -4.505 1.00 0.00 H new ATOM 909 N GLU A 63 -2.893 -11.947 -0.095 1.00 0.00 N ATOM 910 CA GLU A 63 -1.719 -11.693 0.732 1.00 0.00 C ATOM 911 C GLU A 63 -0.444 -12.124 0.013 1.00 0.00 C ATOM 912 O GLU A 63 -0.480 -12.954 -0.894 1.00 0.00 O ATOM 913 CB GLU A 63 -1.840 -12.430 2.067 1.00 0.00 C ATOM 914 CG GLU A 63 -2.989 -11.941 2.931 1.00 0.00 C ATOM 915 CD GLU A 63 -3.268 -12.859 4.105 1.00 0.00 C ATOM 916 OE1 GLU A 63 -2.322 -13.526 4.575 1.00 0.00 O ATOM 917 OE2 GLU A 63 -4.432 -12.911 4.555 1.00 0.00 O ATOM 0 H GLU A 63 -3.550 -12.620 0.300 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.664 -10.621 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.970 -13.495 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.907 -12.318 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.760 -10.942 3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.887 -11.856 2.320 1.00 0.00 H new ATOM 924 N GLY A 64 0.683 -11.552 0.426 1.00 0.00 N ATOM 925 CA GLY A 64 1.954 -11.888 -0.188 1.00 0.00 C ATOM 926 C GLY A 64 2.220 -11.086 -1.447 1.00 0.00 C ATOM 927 O GLY A 64 3.369 -10.924 -1.856 1.00 0.00 O ATOM 0 H GLY A 64 0.738 -10.862 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.757 -11.712 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.968 -12.951 -0.428 1.00 0.00 H new ATOM 931 N ASP A 65 1.155 -10.584 -2.062 1.00 0.00 N ATOM 932 CA ASP A 65 1.278 -9.795 -3.282 1.00 0.00 C ATOM 933 C ASP A 65 2.252 -8.638 -3.084 1.00 0.00 C ATOM 934 O ASP A 65 1.850 -7.528 -2.736 1.00 0.00 O ATOM 935 CB ASP A 65 -0.089 -9.259 -3.709 1.00 0.00 C ATOM 936 CG ASP A 65 -1.032 -10.363 -4.147 1.00 0.00 C ATOM 937 OD1 ASP A 65 -0.873 -11.505 -3.667 1.00 0.00 O ATOM 938 OD2 ASP A 65 -1.930 -10.084 -4.969 1.00 0.00 O ATOM 0 H ASP A 65 0.197 -10.709 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 65 1.666 -10.444 -4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.536 -8.711 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.041 -8.550 -4.527 1.00 0.00 H new ATOM 943 N GLN A 66 3.535 -8.906 -3.308 1.00 0.00 N ATOM 944 CA GLN A 66 4.566 -7.887 -3.152 1.00 0.00 C ATOM 945 C GLN A 66 4.418 -6.796 -4.208 1.00 0.00 C ATOM 946 O GLN A 66 4.563 -7.052 -5.404 1.00 0.00 O ATOM 947 CB GLN A 66 5.956 -8.519 -3.246 1.00 0.00 C ATOM 948 CG GLN A 66 7.090 -7.508 -3.187 1.00 0.00 C ATOM 949 CD GLN A 66 8.441 -8.128 -3.481 1.00 0.00 C ATOM 950 OE1 GLN A 66 8.806 -9.151 -2.902 1.00 0.00 O ATOM 951 NE2 GLN A 66 9.192 -7.511 -4.386 1.00 0.00 N ATOM 0 H GLN A 66 3.885 -9.819 -3.598 1.00 0.00 H new ATOM 0 HA GLN A 66 4.447 -7.433 -2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.076 -9.235 -2.433 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.029 -9.080 -4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.897 -6.710 -3.904 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.112 -7.050 -2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.850 -6.665 -4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.111 -7.883 -4.625 1.00 0.00 H new ATOM 960 N VAL A 67 4.128 -5.579 -3.759 1.00 0.00 N ATOM 961 CA VAL A 67 3.961 -4.450 -4.665 1.00 0.00 C ATOM 962 C VAL A 67 5.309 -3.942 -5.166 1.00 0.00 C ATOM 963 O VAL A 67 6.070 -3.329 -4.417 1.00 0.00 O ATOM 964 CB VAL A 67 3.209 -3.291 -3.985 1.00 0.00 C ATOM 965 CG1 VAL A 67 2.899 -2.192 -4.990 1.00 0.00 C ATOM 966 CG2 VAL A 67 1.935 -3.797 -3.325 1.00 0.00 C ATOM 0 H VAL A 67 4.004 -5.350 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 67 3.374 -4.808 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 67 3.850 -2.870 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.367 -1.382 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.829 -1.811 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.278 -2.595 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.416 -2.965 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.288 -4.245 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.187 -4.545 -2.573 1.00 0.00 H new ATOM 976 N VAL A 68 5.598 -4.202 -6.437 1.00 0.00 N ATOM 977 CA VAL A 68 6.853 -3.770 -7.039 1.00 0.00 C ATOM 978 C VAL A 68 6.870 -2.261 -7.252 1.00 0.00 C ATOM 979 O VAL A 68 7.913 -1.617 -7.128 1.00 0.00 O ATOM 980 CB VAL A 68 7.099 -4.471 -8.388 1.00 0.00 C ATOM 981 CG1 VAL A 68 8.471 -4.109 -8.937 1.00 0.00 C ATOM 982 CG2 VAL A 68 6.957 -5.978 -8.239 1.00 0.00 C ATOM 0 H VAL A 68 4.980 -4.710 -7.070 1.00 0.00 H new ATOM 0 HA VAL A 68 7.648 -4.045 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 68 6.348 -4.126 -9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.626 -4.614 -9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.531 -3.031 -9.083 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.240 -4.423 -8.231 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.134 -6.457 -9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.684 -6.342 -7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.951 -6.216 -7.895 1.00 0.00 H new ATOM 992 N LEU A 69 5.709 -1.701 -7.574 1.00 0.00 N ATOM 993 CA LEU A 69 5.589 -0.266 -7.804 1.00 0.00 C ATOM 994 C LEU A 69 4.158 0.206 -7.569 1.00 0.00 C ATOM 995 O LEU A 69 3.225 -0.598 -7.544 1.00 0.00 O ATOM 996 CB LEU A 69 6.025 0.080 -9.229 1.00 0.00 C ATOM 997 CG LEU A 69 7.480 -0.231 -9.580 1.00 0.00 C ATOM 998 CD1 LEU A 69 7.709 -0.097 -11.078 1.00 0.00 C ATOM 999 CD2 LEU A 69 8.422 0.685 -8.811 1.00 0.00 C ATOM 0 H LEU A 69 4.837 -2.219 -7.682 1.00 0.00 H new ATOM 0 HA LEU A 69 6.241 0.246 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.381 -0.458 -9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.852 1.144 -9.392 1.00 0.00 H new ATOM 0 HG LEU A 69 7.690 -1.261 -9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.750 -0.322 -11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.061 -0.794 -11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.480 0.922 -11.391 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.453 0.449 -9.073 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.210 1.723 -9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.278 0.539 -7.740 1.00 0.00 H new ATOM 1011 N ILE A 70 3.992 1.513 -7.399 1.00 0.00 N ATOM 1012 CA ILE A 70 2.673 2.091 -7.170 1.00 0.00 C ATOM 1013 C ILE A 70 2.426 3.278 -8.094 1.00 0.00 C ATOM 1014 O ILE A 70 3.087 4.310 -7.987 1.00 0.00 O ATOM 1015 CB ILE A 70 2.506 2.549 -5.709 1.00 0.00 C ATOM 1016 CG1 ILE A 70 2.653 1.359 -4.759 1.00 0.00 C ATOM 1017 CG2 ILE A 70 1.156 3.223 -5.517 1.00 0.00 C ATOM 1018 CD1 ILE A 70 2.377 1.703 -3.312 1.00 0.00 C ATOM 0 H ILE A 70 4.753 2.192 -7.415 1.00 0.00 H new ATOM 0 HA ILE A 70 1.944 1.309 -7.383 1.00 0.00 H new ATOM 0 HB ILE A 70 3.288 3.273 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.972 0.568 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.664 0.960 -4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.052 3.541 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.087 4.092 -6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.360 2.520 -5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.500 0.812 -2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.075 2.472 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.357 2.073 -3.214 1.00 0.00 H new ATOM 1030 N ASN A 71 1.466 3.125 -9.001 1.00 0.00 N ATOM 1031 CA ASN A 71 1.129 4.185 -9.944 1.00 0.00 C ATOM 1032 C ASN A 71 2.348 4.586 -10.770 1.00 0.00 C ATOM 1033 O ASN A 71 2.515 5.753 -11.122 1.00 0.00 O ATOM 1034 CB ASN A 71 0.580 5.404 -9.199 1.00 0.00 C ATOM 1035 CG ASN A 71 -0.778 5.139 -8.580 1.00 0.00 C ATOM 1036 OD1 ASN A 71 -1.071 4.022 -8.153 1.00 0.00 O ATOM 1037 ND2 ASN A 71 -1.615 6.168 -8.527 1.00 0.00 N ATOM 0 H ASN A 71 0.908 2.277 -9.103 1.00 0.00 H new ATOM 0 HA ASN A 71 0.363 3.806 -10.620 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.282 5.695 -8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.504 6.244 -9.889 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.543 6.050 -8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.330 7.076 -8.893 1.00 0.00 H new ATOM 1044 N GLY A 72 3.197 3.610 -11.075 1.00 0.00 N ATOM 1045 CA GLY A 72 4.389 3.880 -11.857 1.00 0.00 C ATOM 1046 C GLY A 72 5.357 4.801 -11.140 1.00 0.00 C ATOM 1047 O GLY A 72 5.986 5.657 -11.761 1.00 0.00 O ATOM 0 H GLY A 72 3.081 2.636 -10.794 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.890 2.939 -12.087 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.102 4.329 -12.808 1.00 0.00 H new ATOM 1051 N ARG A 73 5.474 4.626 -9.827 1.00 0.00 N ATOM 1052 CA ARG A 73 6.370 5.449 -9.024 1.00 0.00 C ATOM 1053 C ARG A 73 7.147 4.595 -8.027 1.00 0.00 C ATOM 1054 O ARG A 73 6.581 3.718 -7.373 1.00 0.00 O ATOM 1055 CB ARG A 73 5.577 6.526 -8.280 1.00 0.00 C ATOM 1056 CG ARG A 73 5.084 7.649 -9.178 1.00 0.00 C ATOM 1057 CD ARG A 73 6.212 8.597 -9.554 1.00 0.00 C ATOM 1058 NE ARG A 73 6.361 9.681 -8.587 1.00 0.00 N ATOM 1059 CZ ARG A 73 7.243 10.666 -8.716 1.00 0.00 C ATOM 1060 NH1 ARG A 73 8.051 10.702 -9.767 1.00 0.00 N ATOM 1061 NH2 ARG A 73 7.318 11.616 -7.793 1.00 0.00 N ATOM 0 H ARG A 73 4.960 3.922 -9.298 1.00 0.00 H new ATOM 0 HA ARG A 73 7.081 5.929 -9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.721 6.062 -7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.203 6.949 -7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.645 7.227 -10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.295 8.204 -8.669 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.147 8.040 -9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.019 9.016 -10.542 1.00 0.00 H new ATOM 0 HE ARG A 73 5.754 9.682 -7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.996 9.973 -10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.728 11.459 -9.864 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.698 11.591 -6.983 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.996 12.372 -7.893 1.00 0.00 H new ATOM 1075 N ASP A 74 8.444 4.856 -7.917 1.00 0.00 N ATOM 1076 CA ASP A 74 9.299 4.112 -6.999 1.00 0.00 C ATOM 1077 C ASP A 74 8.790 4.229 -5.566 1.00 0.00 C ATOM 1078 O ASP A 74 8.702 5.328 -5.016 1.00 0.00 O ATOM 1079 CB ASP A 74 10.740 4.619 -7.085 1.00 0.00 C ATOM 1080 CG ASP A 74 10.863 6.080 -6.700 1.00 0.00 C ATOM 1081 OD1 ASP A 74 9.959 6.865 -7.054 1.00 0.00 O ATOM 1082 OD2 ASP A 74 11.865 6.438 -6.045 1.00 0.00 O ATOM 0 H ASP A 74 8.927 5.577 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 74 9.274 3.062 -7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.373 4.019 -6.431 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.111 4.481 -8.101 1.00 0.00 H new ATOM 1087 N ILE A 75 8.456 3.091 -4.967 1.00 0.00 N ATOM 1088 CA ILE A 75 7.956 3.068 -3.598 1.00 0.00 C ATOM 1089 C ILE A 75 8.923 2.338 -2.672 1.00 0.00 C ATOM 1090 O ILE A 75 8.996 2.630 -1.479 1.00 0.00 O ATOM 1091 CB ILE A 75 6.575 2.392 -3.515 1.00 0.00 C ATOM 1092 CG1 ILE A 75 6.639 0.977 -4.094 1.00 0.00 C ATOM 1093 CG2 ILE A 75 5.533 3.223 -4.248 1.00 0.00 C ATOM 1094 CD1 ILE A 75 5.693 0.006 -3.424 1.00 0.00 C ATOM 0 H ILE A 75 8.522 2.174 -5.408 1.00 0.00 H new ATOM 0 HA ILE A 75 7.864 4.106 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 75 6.284 2.322 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.410 1.018 -5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.658 0.601 -4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.562 2.732 -4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.472 4.212 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.817 3.321 -5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.793 -0.976 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.935 -0.065 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.668 0.359 -3.539 1.00 0.00 H new ATOM 1106 N ALA A 76 9.666 1.388 -3.231 1.00 0.00 N ATOM 1107 CA ALA A 76 10.632 0.619 -2.457 1.00 0.00 C ATOM 1108 C ALA A 76 11.502 1.533 -1.600 1.00 0.00 C ATOM 1109 O ALA A 76 11.901 1.168 -0.495 1.00 0.00 O ATOM 1110 CB ALA A 76 11.498 -0.224 -3.381 1.00 0.00 C ATOM 0 H ALA A 76 9.617 1.133 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 76 10.081 -0.044 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.215 -0.793 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.867 -0.911 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.034 0.427 -4.072 1.00 0.00 H new ATOM 1116 N GLU A 77 11.792 2.722 -2.119 1.00 0.00 N ATOM 1117 CA GLU A 77 12.617 3.687 -1.401 1.00 0.00 C ATOM 1118 C GLU A 77 11.825 4.349 -0.278 1.00 0.00 C ATOM 1119 O GLU A 77 12.395 4.801 0.716 1.00 0.00 O ATOM 1120 CB GLU A 77 13.148 4.752 -2.363 1.00 0.00 C ATOM 1121 CG GLU A 77 14.209 4.235 -3.319 1.00 0.00 C ATOM 1122 CD GLU A 77 14.951 5.352 -4.027 1.00 0.00 C ATOM 1123 OE1 GLU A 77 14.414 5.881 -5.023 1.00 0.00 O ATOM 1124 OE2 GLU A 77 16.068 5.696 -3.587 1.00 0.00 O ATOM 0 H GLU A 77 11.469 3.040 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 77 13.459 3.152 -0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.316 5.155 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.563 5.577 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.922 3.623 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.740 3.588 -4.061 1.00 0.00 H new ATOM 1131 N HIS A 78 10.507 4.404 -0.443 1.00 0.00 N ATOM 1132 CA HIS A 78 9.636 5.011 0.557 1.00 0.00 C ATOM 1133 C HIS A 78 9.439 4.076 1.746 1.00 0.00 C ATOM 1134 O HIS A 78 9.583 2.859 1.623 1.00 0.00 O ATOM 1135 CB HIS A 78 8.283 5.363 -0.061 1.00 0.00 C ATOM 1136 CG HIS A 78 8.345 6.499 -1.034 1.00 0.00 C ATOM 1137 ND1 HIS A 78 7.804 7.741 -0.777 1.00 0.00 N ATOM 1138 CD2 HIS A 78 8.891 6.577 -2.270 1.00 0.00 C ATOM 1139 CE1 HIS A 78 8.013 8.533 -1.813 1.00 0.00 C ATOM 1140 NE2 HIS A 78 8.671 7.851 -2.733 1.00 0.00 N ATOM 0 H HIS A 78 10.019 4.036 -1.259 1.00 0.00 H new ATOM 0 HA HIS A 78 10.113 5.925 0.912 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.885 4.484 -0.567 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.584 5.616 0.736 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.404 5.785 -2.795 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.699 9.563 -1.894 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.967 8.212 -3.640 1.00 0.00 H new ATOM 1149 N THR A 79 9.108 4.651 2.898 1.00 0.00 N ATOM 1150 CA THR A 79 8.893 3.869 4.109 1.00 0.00 C ATOM 1151 C THR A 79 7.423 3.499 4.271 1.00 0.00 C ATOM 1152 O THR A 79 6.567 3.973 3.522 1.00 0.00 O ATOM 1153 CB THR A 79 9.359 4.635 5.362 1.00 0.00 C ATOM 1154 OG1 THR A 79 9.024 6.022 5.241 1.00 0.00 O ATOM 1155 CG2 THR A 79 10.860 4.485 5.561 1.00 0.00 C ATOM 0 H THR A 79 8.983 5.656 3.018 1.00 0.00 H new ATOM 0 HA THR A 79 9.485 2.959 4.007 1.00 0.00 H new ATOM 0 HB THR A 79 8.850 4.214 6.229 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.322 6.502 6.042 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.166 5.034 6.451 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.107 3.430 5.682 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.384 4.883 4.692 1.00 0.00 H new ATOM 1163 N HIS A 80 7.136 2.651 5.252 1.00 0.00 N ATOM 1164 CA HIS A 80 5.767 2.218 5.513 1.00 0.00 C ATOM 1165 C HIS A 80 4.838 3.418 5.665 1.00 0.00 C ATOM 1166 O HIS A 80 3.824 3.522 4.974 1.00 0.00 O ATOM 1167 CB HIS A 80 5.714 1.355 6.774 1.00 0.00 C ATOM 1168 CG HIS A 80 4.363 0.764 7.039 1.00 0.00 C ATOM 1169 ND1 HIS A 80 4.140 -0.593 7.129 1.00 0.00 N ATOM 1170 CD2 HIS A 80 3.162 1.356 7.236 1.00 0.00 C ATOM 1171 CE1 HIS A 80 2.859 -0.812 7.368 1.00 0.00 C ATOM 1172 NE2 HIS A 80 2.244 0.355 7.438 1.00 0.00 N ATOM 0 H HIS A 80 7.832 2.249 5.880 1.00 0.00 H new ATOM 0 HA HIS A 80 5.431 1.626 4.662 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.443 0.549 6.684 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.012 1.959 7.631 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.963 2.417 7.235 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.394 -1.780 7.486 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.248 0.491 7.614 1.00 0.00 H new ATOM 1181 N ASP A 81 5.189 4.322 6.573 1.00 0.00 N ATOM 1182 CA ASP A 81 4.387 5.515 6.815 1.00 0.00 C ATOM 1183 C ASP A 81 4.116 6.262 5.513 1.00 0.00 C ATOM 1184 O ASP A 81 2.964 6.463 5.130 1.00 0.00 O ATOM 1185 CB ASP A 81 5.094 6.438 7.809 1.00 0.00 C ATOM 1186 CG ASP A 81 5.151 5.850 9.205 1.00 0.00 C ATOM 1187 OD1 ASP A 81 5.465 4.648 9.331 1.00 0.00 O ATOM 1188 OD2 ASP A 81 4.882 6.593 10.173 1.00 0.00 O ATOM 0 H ASP A 81 6.024 4.251 7.154 1.00 0.00 H new ATOM 0 HA ASP A 81 3.433 5.201 7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.107 6.636 7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.576 7.396 7.842 1.00 0.00 H new ATOM 1193 N GLN A 82 5.185 6.670 4.837 1.00 0.00 N ATOM 1194 CA GLN A 82 5.062 7.396 3.579 1.00 0.00 C ATOM 1195 C GLN A 82 4.114 6.676 2.626 1.00 0.00 C ATOM 1196 O GLN A 82 3.064 7.204 2.261 1.00 0.00 O ATOM 1197 CB GLN A 82 6.435 7.561 2.924 1.00 0.00 C ATOM 1198 CG GLN A 82 7.281 8.657 3.553 1.00 0.00 C ATOM 1199 CD GLN A 82 6.908 10.039 3.055 1.00 0.00 C ATOM 1200 OE1 GLN A 82 5.980 10.197 2.261 1.00 0.00 O ATOM 1201 NE2 GLN A 82 7.631 11.051 3.521 1.00 0.00 N ATOM 0 H GLN A 82 6.146 6.510 5.140 1.00 0.00 H new ATOM 0 HA GLN A 82 4.651 8.382 3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.974 6.616 2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.299 7.781 1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.167 8.622 4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.333 8.468 3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.391 10.875 4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.426 12.004 3.222 1.00 0.00 H new ATOM 1210 N VAL A 83 4.492 5.466 2.225 1.00 0.00 N ATOM 1211 CA VAL A 83 3.676 4.673 1.314 1.00 0.00 C ATOM 1212 C VAL A 83 2.191 4.850 1.612 1.00 0.00 C ATOM 1213 O VAL A 83 1.420 5.273 0.750 1.00 0.00 O ATOM 1214 CB VAL A 83 4.031 3.176 1.401 1.00 0.00 C ATOM 1215 CG1 VAL A 83 3.094 2.354 0.529 1.00 0.00 C ATOM 1216 CG2 VAL A 83 5.481 2.949 1.002 1.00 0.00 C ATOM 0 H VAL A 83 5.358 5.014 2.517 1.00 0.00 H new ATOM 0 HA VAL A 83 3.887 5.031 0.306 1.00 0.00 H new ATOM 0 HB VAL A 83 3.907 2.850 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.360 1.299 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.067 2.494 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.183 2.679 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.715 1.886 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.634 3.290 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.134 3.507 1.672 1.00 0.00 H new ATOM 1226 N VAL A 84 1.796 4.523 2.838 1.00 0.00 N ATOM 1227 CA VAL A 84 0.403 4.647 3.251 1.00 0.00 C ATOM 1228 C VAL A 84 -0.193 5.970 2.784 1.00 0.00 C ATOM 1229 O VAL A 84 -1.323 6.017 2.295 1.00 0.00 O ATOM 1230 CB VAL A 84 0.260 4.544 4.781 1.00 0.00 C ATOM 1231 CG1 VAL A 84 -1.195 4.708 5.194 1.00 0.00 C ATOM 1232 CG2 VAL A 84 0.819 3.221 5.280 1.00 0.00 C ATOM 0 H VAL A 84 2.421 4.170 3.563 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.139 3.823 2.786 1.00 0.00 H new ATOM 0 HB VAL A 84 0.835 5.350 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.276 4.632 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.557 5.684 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.795 3.926 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.710 3.165 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.274 2.398 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.875 3.150 5.018 1.00 0.00 H new ATOM 1242 N LEU A 85 0.574 7.044 2.935 1.00 0.00 N ATOM 1243 CA LEU A 85 0.122 8.370 2.528 1.00 0.00 C ATOM 1244 C LEU A 85 0.149 8.512 1.010 1.00 0.00 C ATOM 1245 O LEU A 85 -0.776 9.062 0.411 1.00 0.00 O ATOM 1246 CB LEU A 85 1.000 9.448 3.168 1.00 0.00 C ATOM 1247 CG LEU A 85 0.610 9.878 4.582 1.00 0.00 C ATOM 1248 CD1 LEU A 85 -0.795 10.460 4.596 1.00 0.00 C ATOM 1249 CD2 LEU A 85 0.712 8.704 5.544 1.00 0.00 C ATOM 0 H LEU A 85 1.512 7.023 3.336 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.906 8.497 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.028 9.085 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.987 10.328 2.525 1.00 0.00 H new ATOM 0 HG LEU A 85 1.304 10.652 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.054 10.760 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.835 11.329 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.504 9.709 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.431 9.029 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.042 7.908 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.737 8.333 5.557 1.00 0.00 H new ATOM 1261 N PHE A 86 1.213 8.011 0.392 1.00 0.00 N ATOM 1262 CA PHE A 86 1.360 8.080 -1.057 1.00 0.00 C ATOM 1263 C PHE A 86 0.136 7.495 -1.756 1.00 0.00 C ATOM 1264 O PHE A 86 -0.311 8.009 -2.782 1.00 0.00 O ATOM 1265 CB PHE A 86 2.620 7.333 -1.500 1.00 0.00 C ATOM 1266 CG PHE A 86 3.060 7.675 -2.894 1.00 0.00 C ATOM 1267 CD1 PHE A 86 3.659 8.895 -3.166 1.00 0.00 C ATOM 1268 CD2 PHE A 86 2.875 6.778 -3.933 1.00 0.00 C ATOM 1269 CE1 PHE A 86 4.067 9.213 -4.448 1.00 0.00 C ATOM 1270 CE2 PHE A 86 3.281 7.090 -5.217 1.00 0.00 C ATOM 1271 CZ PHE A 86 3.876 8.310 -5.475 1.00 0.00 C ATOM 0 H PHE A 86 1.987 7.552 0.873 1.00 0.00 H new ATOM 0 HA PHE A 86 1.451 9.129 -1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.430 7.559 -0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.437 6.260 -1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.809 9.606 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.408 5.824 -3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 86 4.534 10.166 -4.646 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.133 6.381 -6.018 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.191 8.557 -6.478 1.00 0.00 H new ATOM 1281 N ILE A 87 -0.400 6.417 -1.193 1.00 0.00 N ATOM 1282 CA ILE A 87 -1.572 5.763 -1.762 1.00 0.00 C ATOM 1283 C ILE A 87 -2.810 6.645 -1.636 1.00 0.00 C ATOM 1284 O ILE A 87 -3.587 6.782 -2.581 1.00 0.00 O ATOM 1285 CB ILE A 87 -1.848 4.410 -1.079 1.00 0.00 C ATOM 1286 CG1 ILE A 87 -0.579 3.557 -1.057 1.00 0.00 C ATOM 1287 CG2 ILE A 87 -2.974 3.677 -1.792 1.00 0.00 C ATOM 1288 CD1 ILE A 87 -0.531 2.574 0.092 1.00 0.00 C ATOM 0 H ILE A 87 -0.042 5.979 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.357 5.592 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.156 4.595 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.503 3.009 -1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.289 4.213 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.157 2.723 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.880 4.282 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.693 3.500 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.396 2.003 0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.575 3.116 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.380 1.893 0.024 1.00 0.00 H new ATOM 1300 N LYS A 88 -2.987 7.243 -0.463 1.00 0.00 N ATOM 1301 CA LYS A 88 -4.128 8.116 -0.213 1.00 0.00 C ATOM 1302 C LYS A 88 -4.092 9.334 -1.130 1.00 0.00 C ATOM 1303 O LYS A 88 -5.134 9.859 -1.520 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.141 8.565 1.250 1.00 0.00 C ATOM 1305 CG LYS A 88 -4.352 7.427 2.234 1.00 0.00 C ATOM 1306 CD LYS A 88 -4.471 7.938 3.660 1.00 0.00 C ATOM 1307 CE LYS A 88 -4.563 6.792 4.656 1.00 0.00 C ATOM 1308 NZ LYS A 88 -5.812 6.001 4.478 1.00 0.00 N ATOM 0 H LYS A 88 -2.354 7.139 0.330 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.038 7.553 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.197 9.061 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.930 9.304 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -5.254 6.877 1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.520 6.727 2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.608 8.560 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.354 8.571 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.699 6.138 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.526 7.189 5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.057 5.533 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.587 6.634 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.666 5.282 3.741 1.00 0.00 H new ATOM 1322 N ALA A 89 -2.886 9.778 -1.470 1.00 0.00 N ATOM 1323 CA ALA A 89 -2.716 10.933 -2.343 1.00 0.00 C ATOM 1324 C ALA A 89 -3.533 10.779 -3.621 1.00 0.00 C ATOM 1325 O ALA A 89 -3.920 11.768 -4.244 1.00 0.00 O ATOM 1326 CB ALA A 89 -1.244 11.130 -2.676 1.00 0.00 C ATOM 0 H ALA A 89 -2.013 9.355 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.079 11.814 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.131 11.996 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.682 11.293 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.863 10.243 -3.182 1.00 0.00 H new ATOM 1429 N GLU A 97 -8.387 7.273 -10.043 1.00 0.00 N ATOM 1430 CA GLU A 97 -8.189 5.830 -9.995 1.00 0.00 C ATOM 1431 C GLU A 97 -6.806 5.488 -9.448 1.00 0.00 C ATOM 1432 O GLU A 97 -5.939 6.356 -9.336 1.00 0.00 O ATOM 1433 CB GLU A 97 -8.362 5.222 -11.389 1.00 0.00 C ATOM 1434 CG GLU A 97 -7.230 5.559 -12.345 1.00 0.00 C ATOM 1435 CD GLU A 97 -7.478 6.842 -13.114 1.00 0.00 C ATOM 1436 OE1 GLU A 97 -8.386 7.603 -12.720 1.00 0.00 O ATOM 1437 OE2 GLU A 97 -6.764 7.085 -14.109 1.00 0.00 O ATOM 0 HA GLU A 97 -8.940 5.409 -9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.438 4.139 -11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.302 5.572 -11.815 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.300 5.650 -11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.098 4.738 -13.049 1.00 0.00 H new ATOM 1444 N LEU A 98 -6.607 4.219 -9.108 1.00 0.00 N ATOM 1445 CA LEU A 98 -5.331 3.762 -8.572 1.00 0.00 C ATOM 1446 C LEU A 98 -4.889 2.466 -9.246 1.00 0.00 C ATOM 1447 O LEU A 98 -5.717 1.627 -9.600 1.00 0.00 O ATOM 1448 CB LEU A 98 -5.435 3.553 -7.060 1.00 0.00 C ATOM 1449 CG LEU A 98 -4.111 3.495 -6.297 1.00 0.00 C ATOM 1450 CD1 LEU A 98 -4.283 4.039 -4.888 1.00 0.00 C ATOM 1451 CD2 LEU A 98 -3.580 2.069 -6.260 1.00 0.00 C ATOM 0 H LEU A 98 -7.314 3.489 -9.194 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.584 4.530 -8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.037 4.360 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.977 2.625 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.385 4.119 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.331 3.990 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.618 5.075 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.024 3.443 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.637 2.046 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.304 1.424 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.418 1.715 -7.278 1.00 0.00 H new ATOM 1463 N MET A 99 -3.581 2.311 -9.418 1.00 0.00 N ATOM 1464 CA MET A 99 -3.030 1.115 -10.046 1.00 0.00 C ATOM 1465 C MET A 99 -1.857 0.568 -9.238 1.00 0.00 C ATOM 1466 O MET A 99 -1.086 1.328 -8.652 1.00 0.00 O ATOM 1467 CB MET A 99 -2.580 1.426 -11.475 1.00 0.00 C ATOM 1468 CG MET A 99 -2.505 0.198 -12.369 1.00 0.00 C ATOM 1469 SD MET A 99 -1.919 0.584 -14.030 1.00 0.00 S ATOM 1470 CE MET A 99 -3.472 0.851 -14.883 1.00 0.00 C ATOM 0 H MET A 99 -2.883 2.997 -9.132 1.00 0.00 H new ATOM 0 HA MET A 99 -3.812 0.356 -10.076 1.00 0.00 H new ATOM 0 HB2 MET A 99 -3.270 2.145 -11.916 1.00 0.00 H new ATOM 0 HB3 MET A 99 -1.600 1.903 -11.443 1.00 0.00 H new ATOM 0 HG2 MET A 99 -1.841 -0.537 -11.915 1.00 0.00 H new ATOM 0 HG3 MET A 99 -3.492 -0.261 -12.433 1.00 0.00 H new ATOM 0 HE1 MET A 99 -3.322 1.559 -15.698 1.00 0.00 H new ATOM 0 HE2 MET A 99 -3.833 -0.095 -15.286 1.00 0.00 H new ATOM 0 HE3 MET A 99 -4.206 1.252 -14.185 1.00 0.00 H new ATOM 1480 N LEU A 100 -1.729 -0.754 -9.212 1.00 0.00 N ATOM 1481 CA LEU A 100 -0.650 -1.403 -8.476 1.00 0.00 C ATOM 1482 C LEU A 100 -0.009 -2.508 -9.310 1.00 0.00 C ATOM 1483 O LEU A 100 -0.654 -3.101 -10.175 1.00 0.00 O ATOM 1484 CB LEU A 100 -1.178 -1.982 -7.163 1.00 0.00 C ATOM 1485 CG LEU A 100 -1.997 -1.030 -6.291 1.00 0.00 C ATOM 1486 CD1 LEU A 100 -3.014 -1.803 -5.466 1.00 0.00 C ATOM 1487 CD2 LEU A 100 -1.084 -0.214 -5.387 1.00 0.00 C ATOM 0 H LEU A 100 -2.359 -1.397 -9.692 1.00 0.00 H new ATOM 0 HA LEU A 100 0.109 -0.652 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.794 -2.851 -7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.329 -2.338 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.536 -0.344 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.587 -1.109 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.689 -2.341 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.496 -2.514 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.685 0.458 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.517 -0.885 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.395 0.370 -5.997 1.00 0.00 H new ATOM 1499 N LEU A 101 1.264 -2.780 -9.044 1.00 0.00 N ATOM 1500 CA LEU A 101 1.992 -3.816 -9.769 1.00 0.00 C ATOM 1501 C LEU A 101 2.583 -4.841 -8.806 1.00 0.00 C ATOM 1502 O LEU A 101 3.631 -4.611 -8.203 1.00 0.00 O ATOM 1503 CB LEU A 101 3.106 -3.189 -10.611 1.00 0.00 C ATOM 1504 CG LEU A 101 3.748 -4.100 -11.658 1.00 0.00 C ATOM 1505 CD1 LEU A 101 2.702 -4.607 -12.638 1.00 0.00 C ATOM 1506 CD2 LEU A 101 4.860 -3.365 -12.393 1.00 0.00 C ATOM 0 H LEU A 101 1.813 -2.298 -8.332 1.00 0.00 H new ATOM 0 HA LEU A 101 1.290 -4.326 -10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.701 -2.314 -11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.887 -2.835 -9.938 1.00 0.00 H new ATOM 0 HG LEU A 101 4.183 -4.959 -11.147 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.178 -5.254 -13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.941 -5.171 -12.098 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.237 -3.761 -13.144 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.306 -4.028 -13.134 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.448 -2.487 -12.892 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.623 -3.053 -11.680 1.00 0.00 H new ATOM 1518 N VAL A 102 1.904 -5.975 -8.668 1.00 0.00 N ATOM 1519 CA VAL A 102 2.362 -7.038 -7.782 1.00 0.00 C ATOM 1520 C VAL A 102 2.856 -8.242 -8.577 1.00 0.00 C ATOM 1521 O VAL A 102 2.701 -8.299 -9.797 1.00 0.00 O ATOM 1522 CB VAL A 102 1.244 -7.492 -6.825 1.00 0.00 C ATOM 1523 CG1 VAL A 102 0.644 -6.297 -6.099 1.00 0.00 C ATOM 1524 CG2 VAL A 102 0.172 -8.259 -7.584 1.00 0.00 C ATOM 0 H VAL A 102 1.034 -6.181 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 102 3.186 -6.629 -7.198 1.00 0.00 H new ATOM 0 HB VAL A 102 1.676 -8.159 -6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.144 -6.637 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.420 -5.794 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.225 -5.602 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.610 -8.572 -6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.259 -7.617 -8.353 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.616 -9.138 -8.052 1.00 0.00 H new ATOM 1534 N ARG A 103 3.449 -9.203 -7.877 1.00 0.00 N ATOM 1535 CA ARG A 103 3.966 -10.406 -8.517 1.00 0.00 C ATOM 1536 C ARG A 103 3.049 -11.598 -8.256 1.00 0.00 C ATOM 1537 O ARG A 103 2.575 -11.815 -7.141 1.00 0.00 O ATOM 1538 CB ARG A 103 5.376 -10.714 -8.010 1.00 0.00 C ATOM 1539 CG ARG A 103 6.165 -11.637 -8.925 1.00 0.00 C ATOM 1540 CD ARG A 103 7.628 -11.708 -8.517 1.00 0.00 C ATOM 1541 NE ARG A 103 8.402 -10.593 -9.056 1.00 0.00 N ATOM 1542 CZ ARG A 103 9.572 -10.203 -8.562 1.00 0.00 C ATOM 1543 NH1 ARG A 103 10.100 -10.835 -7.522 1.00 0.00 N ATOM 1544 NH2 ARG A 103 10.216 -9.180 -9.108 1.00 0.00 N ATOM 0 H ARG A 103 3.583 -9.172 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 103 4.005 -10.227 -9.592 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.923 -9.779 -7.892 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.306 -11.169 -7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.730 -12.636 -8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.090 -11.283 -9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.701 -11.708 -7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.056 -12.648 -8.865 1.00 0.00 H new ATOM 0 HE ARG A 103 8.023 -10.086 -9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.608 -11.622 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.998 -10.534 -7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.813 -8.692 -9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.114 -8.881 -8.728 1.00 0.00 H new ATOM 1558 N PRO A 104 2.792 -12.388 -9.309 1.00 0.00 N ATOM 1559 CA PRO A 104 1.930 -13.570 -9.219 1.00 0.00 C ATOM 1560 C PRO A 104 2.568 -14.693 -8.408 1.00 0.00 C ATOM 1561 O PRO A 104 3.782 -14.714 -8.208 1.00 0.00 O ATOM 1562 CB PRO A 104 1.759 -13.997 -10.680 1.00 0.00 C ATOM 1563 CG PRO A 104 2.968 -13.469 -11.372 1.00 0.00 C ATOM 1564 CD PRO A 104 3.323 -12.189 -10.668 1.00 0.00 C ATOM 0 HA PRO A 104 0.991 -13.351 -8.711 1.00 0.00 H new ATOM 0 HB2 PRO A 104 1.693 -15.081 -10.771 1.00 0.00 H new ATOM 0 HB3 PRO A 104 0.846 -13.585 -11.109 1.00 0.00 H new ATOM 0 HG2 PRO A 104 3.790 -14.183 -11.321 1.00 0.00 H new ATOM 0 HG3 PRO A 104 2.766 -13.290 -12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.400 -12.021 -10.658 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.870 -11.324 -11.154 1.00 0.00 H new