USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 681 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 52 GLN : amide:sc= -1.68! K(o=-3.4!,f=0.099) USER MOD Set 1.2: A 121 GLN : amide:sc= -1.76! K(o=-3.4!,f=-0.0031) USER MOD Single : A 43 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.26) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-6.8!) USER MOD Single : A 87 LYS NZ :NH3+ -120:sc= -0.087 (180deg=-0.43) USER MOD Single : A 89 CYS SG : rot -32:sc= -1.05! USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 7:sc= 0.793 USER MOD Single : A 95 CYS SG : rot -74:sc= 0.141 USER MOD Single : A 99 SER OG : rot 180:sc= -0.599 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.62) USER MOD Single : A 105 SER OG : rot -32:sc= 0.31 USER MOD Single : A 108 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-4.5!) USER MOD Single : A 110 GLN : amide:sc= -5.94! K(o=-5.9!,f=-1.7) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -108:sc= -0.0626 (180deg=-1.93) USER MOD Single : A 117 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 1.255 14.045 -7.175 1.00 0.00 N ATOM 136 CA ASP A 42 0.764 15.293 -6.602 1.00 0.00 C ATOM 137 C ASP A 42 1.531 15.646 -5.331 1.00 0.00 C ATOM 138 O ASP A 42 1.778 14.787 -4.484 1.00 0.00 O ATOM 139 CB ASP A 42 -0.731 15.186 -6.298 1.00 0.00 C ATOM 140 CG ASP A 42 -1.088 13.889 -5.597 1.00 0.00 C ATOM 141 OD1 ASP A 42 -0.590 12.828 -6.026 1.00 0.00 O ATOM 142 OD2 ASP A 42 -1.866 13.936 -4.621 1.00 0.00 O ATOM 0 HA ASP A 42 0.922 16.087 -7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.033 16.028 -5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.294 15.260 -7.228 1.00 0.00 H new ATOM 147 N HIS A 43 1.905 16.915 -5.205 1.00 0.00 N ATOM 148 CA HIS A 43 2.645 17.381 -4.037 1.00 0.00 C ATOM 149 C HIS A 43 1.887 17.063 -2.752 1.00 0.00 C ATOM 150 O HIS A 43 2.490 16.750 -1.725 1.00 0.00 O ATOM 151 CB HIS A 43 2.897 18.886 -4.135 1.00 0.00 C ATOM 152 CG HIS A 43 1.655 19.712 -4.004 1.00 0.00 C ATOM 153 ND1 HIS A 43 1.442 20.591 -2.963 1.00 0.00 N ATOM 154 CD2 HIS A 43 0.556 19.789 -4.790 1.00 0.00 C ATOM 155 CE1 HIS A 43 0.266 21.173 -3.114 1.00 0.00 C ATOM 156 NE2 HIS A 43 -0.292 20.704 -4.216 1.00 0.00 N ATOM 0 H HIS A 43 1.708 17.639 -5.896 1.00 0.00 H new ATOM 0 HA HIS A 43 3.602 16.860 -4.012 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.602 19.179 -3.357 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.370 19.105 -5.092 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.379 19.234 -5.699 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.166 21.907 -2.450 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.204 20.977 -4.581 1.00 0.00 H new ATOM 165 N ASP A 44 0.563 17.147 -2.815 1.00 0.00 N ATOM 166 CA ASP A 44 -0.278 16.868 -1.657 1.00 0.00 C ATOM 167 C ASP A 44 -0.606 15.380 -1.569 1.00 0.00 C ATOM 168 O ASP A 44 -1.479 14.972 -0.805 1.00 0.00 O ATOM 169 CB ASP A 44 -1.569 17.684 -1.728 1.00 0.00 C ATOM 170 CG ASP A 44 -2.255 17.567 -3.075 1.00 0.00 C ATOM 171 OD1 ASP A 44 -2.034 16.551 -3.766 1.00 0.00 O ATOM 172 OD2 ASP A 44 -3.011 18.493 -3.439 1.00 0.00 O ATOM 0 H ASP A 44 0.048 17.406 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 44 0.274 17.154 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.251 17.349 -0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.345 18.732 -1.528 1.00 0.00 H new ATOM 177 N ALA A 45 0.100 14.577 -2.358 1.00 0.00 N ATOM 178 CA ALA A 45 -0.116 13.135 -2.369 1.00 0.00 C ATOM 179 C ALA A 45 -0.096 12.566 -0.954 1.00 0.00 C ATOM 180 O ALA A 45 0.252 13.263 0.000 1.00 0.00 O ATOM 181 CB ALA A 45 0.936 12.451 -3.229 1.00 0.00 C ATOM 0 H ALA A 45 0.826 14.900 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.100 12.943 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.763 11.375 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.873 12.828 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.927 12.659 -2.826 1.00 0.00 H new ATOM 187 N ILE A 46 -0.473 11.299 -0.825 1.00 0.00 N ATOM 188 CA ILE A 46 -0.498 10.638 0.473 1.00 0.00 C ATOM 189 C ILE A 46 -0.046 9.186 0.360 1.00 0.00 C ATOM 190 O ILE A 46 -0.619 8.403 -0.398 1.00 0.00 O ATOM 191 CB ILE A 46 -1.905 10.678 1.099 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.478 12.095 1.028 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.858 10.192 2.540 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.947 12.171 1.379 1.00 0.00 C ATOM 0 H ILE A 46 -0.766 10.709 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 46 0.193 11.182 1.117 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.557 10.013 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.917 12.739 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.333 12.487 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.860 10.226 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.487 9.167 2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.194 10.834 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.285 13.205 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.519 11.553 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.097 11.810 2.396 1.00 0.00 H new ATOM 206 N LYS A 47 0.984 8.831 1.120 1.00 0.00 N ATOM 207 CA LYS A 47 1.513 7.472 1.109 1.00 0.00 C ATOM 208 C LYS A 47 0.675 6.555 1.994 1.00 0.00 C ATOM 209 O LYS A 47 0.775 6.600 3.221 1.00 0.00 O ATOM 210 CB LYS A 47 2.968 7.465 1.581 1.00 0.00 C ATOM 211 CG LYS A 47 3.541 6.071 1.766 1.00 0.00 C ATOM 212 CD LYS A 47 5.044 6.052 1.549 1.00 0.00 C ATOM 213 CE LYS A 47 5.715 4.971 2.384 1.00 0.00 C ATOM 214 NZ LYS A 47 7.105 5.346 2.764 1.00 0.00 N ATOM 0 H LYS A 47 1.470 9.467 1.753 1.00 0.00 H new ATOM 0 HA LYS A 47 1.468 7.100 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.578 8.006 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.037 8.005 2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.313 5.713 2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.063 5.385 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.258 5.883 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.462 7.025 1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.128 4.791 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.732 4.037 1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.527 4.584 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.672 5.493 1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.088 6.224 3.321 1.00 0.00 H new ATOM 228 N LEU A 48 -0.149 5.725 1.366 1.00 0.00 N ATOM 229 CA LEU A 48 -1.003 4.795 2.097 1.00 0.00 C ATOM 230 C LEU A 48 -0.221 3.557 2.522 1.00 0.00 C ATOM 231 O LEU A 48 0.395 2.884 1.695 1.00 0.00 O ATOM 232 CB LEU A 48 -2.200 4.386 1.236 1.00 0.00 C ATOM 233 CG LEU A 48 -3.356 5.385 1.176 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.417 4.915 0.192 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.959 5.586 2.558 1.00 0.00 C ATOM 0 H LEU A 48 -0.244 5.676 0.352 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.364 5.299 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.847 4.208 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.585 3.438 1.611 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.967 6.342 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.232 5.638 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.977 4.823 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.803 3.946 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.780 6.300 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.334 4.634 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.196 5.968 3.236 1.00 0.00 H new ATOM 247 N PHE A 49 -0.252 3.260 3.817 1.00 0.00 N ATOM 248 CA PHE A 49 0.453 2.101 4.353 1.00 0.00 C ATOM 249 C PHE A 49 -0.530 1.009 4.764 1.00 0.00 C ATOM 250 O PHE A 49 -1.392 1.222 5.618 1.00 0.00 O ATOM 251 CB PHE A 49 1.310 2.509 5.553 1.00 0.00 C ATOM 252 CG PHE A 49 1.519 1.401 6.545 1.00 0.00 C ATOM 253 CD1 PHE A 49 2.435 0.392 6.295 1.00 0.00 C ATOM 254 CD2 PHE A 49 0.798 1.368 7.728 1.00 0.00 C ATOM 255 CE1 PHE A 49 2.628 -0.629 7.206 1.00 0.00 C ATOM 256 CE2 PHE A 49 0.987 0.350 8.643 1.00 0.00 C ATOM 257 CZ PHE A 49 1.904 -0.649 8.382 1.00 0.00 C ATOM 0 H PHE A 49 -0.758 3.806 4.515 1.00 0.00 H new ATOM 0 HA PHE A 49 1.101 1.707 3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.280 2.854 5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.838 3.352 6.057 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.005 0.404 5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.080 2.147 7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.344 -1.410 6.999 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.418 0.336 9.561 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.055 -1.445 9.096 1.00 0.00 H new ATOM 267 N VAL A 50 -0.396 -0.163 4.150 1.00 0.00 N ATOM 268 CA VAL A 50 -1.270 -1.289 4.452 1.00 0.00 C ATOM 269 C VAL A 50 -0.572 -2.302 5.351 1.00 0.00 C ATOM 270 O VAL A 50 0.591 -2.643 5.135 1.00 0.00 O ATOM 271 CB VAL A 50 -1.737 -1.997 3.166 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.846 -2.991 3.476 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.197 -0.978 2.134 1.00 0.00 C ATOM 0 H VAL A 50 0.310 -0.356 3.440 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.138 -0.884 4.972 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.894 -2.548 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.163 -3.481 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.478 -3.740 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.693 -2.465 3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.523 -1.496 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.026 -0.398 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.372 -0.309 1.890 1.00 0.00 H new ATOM 283 N GLY A 51 -1.289 -2.782 6.363 1.00 0.00 N ATOM 284 CA GLY A 51 -0.722 -3.752 7.281 1.00 0.00 C ATOM 285 C GLY A 51 -1.608 -4.968 7.460 1.00 0.00 C ATOM 286 O GLY A 51 -1.658 -5.553 8.541 1.00 0.00 O ATOM 0 H GLY A 51 -2.253 -2.516 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.254 -4.069 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.559 -3.279 8.250 1.00 0.00 H new ATOM 290 N GLN A 52 -2.311 -5.348 6.397 1.00 0.00 N ATOM 291 CA GLN A 52 -3.202 -6.502 6.444 1.00 0.00 C ATOM 292 C GLN A 52 -3.010 -7.388 5.217 1.00 0.00 C ATOM 293 O GLN A 52 -3.979 -7.874 4.633 1.00 0.00 O ATOM 294 CB GLN A 52 -4.658 -6.044 6.534 1.00 0.00 C ATOM 295 CG GLN A 52 -5.045 -5.511 7.904 1.00 0.00 C ATOM 296 CD GLN A 52 -5.036 -6.586 8.973 1.00 0.00 C ATOM 297 OE1 GLN A 52 -5.713 -7.607 8.848 1.00 0.00 O ATOM 298 NE2 GLN A 52 -4.267 -6.362 10.032 1.00 0.00 N ATOM 0 H GLN A 52 -2.281 -4.874 5.494 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.956 -7.084 7.332 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.833 -5.268 5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.310 -6.881 6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.356 -4.716 8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.039 -5.067 7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.723 -5.502 10.094 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.221 -7.050 10.783 1.00 0.00 H new ATOM 307 N ILE A 53 -1.755 -7.593 4.832 1.00 0.00 N ATOM 308 CA ILE A 53 -1.436 -8.421 3.676 1.00 0.00 C ATOM 309 C ILE A 53 -0.917 -9.789 4.105 1.00 0.00 C ATOM 310 O ILE A 53 0.154 -9.916 4.700 1.00 0.00 O ATOM 311 CB ILE A 53 -0.387 -7.747 2.772 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.863 -6.355 2.352 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.109 -8.608 1.550 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.242 -5.478 1.806 1.00 0.00 C ATOM 0 H ILE A 53 -0.942 -7.197 5.304 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.361 -8.546 3.114 1.00 0.00 H new ATOM 0 HB ILE A 53 0.540 -7.639 3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.641 -6.459 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.317 -5.861 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.634 -8.118 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.269 -9.580 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.030 -8.744 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.168 -4.507 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.010 -5.344 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.681 -5.951 0.928 1.00 0.00 H new ATOM 326 N PRO A 54 -1.692 -10.839 3.797 1.00 0.00 N ATOM 327 CA PRO A 54 -1.330 -12.218 4.139 1.00 0.00 C ATOM 328 C PRO A 54 -0.146 -12.726 3.323 1.00 0.00 C ATOM 329 O PRO A 54 0.198 -12.154 2.288 1.00 0.00 O ATOM 330 CB PRO A 54 -2.594 -13.012 3.800 1.00 0.00 C ATOM 331 CG PRO A 54 -3.284 -12.198 2.760 1.00 0.00 C ATOM 332 CD PRO A 54 -2.981 -10.762 3.089 1.00 0.00 C ATOM 0 HA PRO A 54 -1.019 -12.311 5.179 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.349 -14.006 3.427 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.224 -13.148 4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.926 -12.454 1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.358 -12.382 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.910 -10.150 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.757 -10.321 3.714 1.00 0.00 H new ATOM 340 N ARG A 55 0.472 -13.804 3.794 1.00 0.00 N ATOM 341 CA ARG A 55 1.618 -14.389 3.107 1.00 0.00 C ATOM 342 C ARG A 55 1.164 -15.292 1.964 1.00 0.00 C ATOM 343 O ARG A 55 0.513 -16.312 2.187 1.00 0.00 O ATOM 344 CB ARG A 55 2.477 -15.185 4.090 1.00 0.00 C ATOM 345 CG ARG A 55 3.112 -14.331 5.175 1.00 0.00 C ATOM 346 CD ARG A 55 4.135 -15.119 5.978 1.00 0.00 C ATOM 347 NE ARG A 55 3.507 -15.937 7.012 1.00 0.00 N ATOM 348 CZ ARG A 55 4.099 -16.979 7.586 1.00 0.00 C ATOM 349 NH1 ARG A 55 5.327 -17.328 7.227 1.00 0.00 N ATOM 350 NH2 ARG A 55 3.463 -17.674 8.520 1.00 0.00 N ATOM 0 H ARG A 55 0.199 -14.290 4.648 1.00 0.00 H new ATOM 0 HA ARG A 55 2.213 -13.577 2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.861 -15.953 4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.263 -15.700 3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.593 -13.464 4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.337 -13.953 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.707 -15.760 5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.842 -14.430 6.440 1.00 0.00 H new ATOM 0 HE ARG A 55 2.562 -15.695 7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.819 -16.796 6.509 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.780 -18.128 7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.518 -17.409 8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.919 -18.474 8.960 1.00 0.00 H new ATOM 364 N GLY A 56 1.512 -14.909 0.739 1.00 0.00 N ATOM 365 CA GLY A 56 1.131 -15.695 -0.420 1.00 0.00 C ATOM 366 C GLY A 56 0.824 -14.833 -1.629 1.00 0.00 C ATOM 367 O GLY A 56 1.016 -15.259 -2.769 1.00 0.00 O ATOM 0 H GLY A 56 2.051 -14.069 0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.936 -16.388 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.256 -16.297 -0.175 1.00 0.00 H new ATOM 371 N LEU A 57 0.345 -13.619 -1.382 1.00 0.00 N ATOM 372 CA LEU A 57 0.010 -12.695 -2.460 1.00 0.00 C ATOM 373 C LEU A 57 1.119 -11.667 -2.661 1.00 0.00 C ATOM 374 O LEU A 57 1.969 -11.479 -1.792 1.00 0.00 O ATOM 375 CB LEU A 57 -1.311 -11.985 -2.156 1.00 0.00 C ATOM 376 CG LEU A 57 -2.488 -12.887 -1.785 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.681 -12.053 -1.344 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.865 -13.781 -2.958 1.00 0.00 C ATOM 0 H LEU A 57 0.180 -13.251 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.097 -13.271 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.144 -11.285 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.592 -11.395 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.186 -13.522 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.509 -12.712 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.406 -11.455 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.984 -11.393 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.705 -14.416 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.148 -13.163 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.013 -14.405 -3.229 1.00 0.00 H new ATOM 390 N ASP A 58 1.101 -11.004 -3.812 1.00 0.00 N ATOM 391 CA ASP A 58 2.104 -9.993 -4.127 1.00 0.00 C ATOM 392 C ASP A 58 1.457 -8.767 -4.764 1.00 0.00 C ATOM 393 O ASP A 58 0.234 -8.684 -4.870 1.00 0.00 O ATOM 394 CB ASP A 58 3.165 -10.570 -5.065 1.00 0.00 C ATOM 395 CG ASP A 58 3.649 -11.936 -4.620 1.00 0.00 C ATOM 396 OD1 ASP A 58 2.881 -12.912 -4.758 1.00 0.00 O ATOM 397 OD2 ASP A 58 4.795 -12.030 -4.136 1.00 0.00 O ATOM 0 H ASP A 58 0.403 -11.148 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 58 2.582 -9.688 -3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.754 -10.643 -6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.012 -9.886 -5.115 1.00 0.00 H new ATOM 402 N GLU A 59 2.287 -7.817 -5.184 1.00 0.00 N ATOM 403 CA GLU A 59 1.795 -6.595 -5.808 1.00 0.00 C ATOM 404 C GLU A 59 0.905 -6.916 -7.006 1.00 0.00 C ATOM 405 O GLU A 59 0.078 -6.100 -7.413 1.00 0.00 O ATOM 406 CB GLU A 59 2.965 -5.714 -6.250 1.00 0.00 C ATOM 407 CG GLU A 59 3.977 -5.448 -5.148 1.00 0.00 C ATOM 408 CD GLU A 59 5.097 -6.470 -5.125 1.00 0.00 C ATOM 409 OE1 GLU A 59 4.909 -7.541 -4.510 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.160 -6.199 -5.720 1.00 0.00 O ATOM 0 H GLU A 59 3.302 -7.870 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 59 1.202 -6.055 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.471 -6.191 -7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.576 -4.762 -6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.401 -4.453 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.468 -5.451 -4.184 1.00 0.00 H new ATOM 417 N GLN A 60 1.082 -8.108 -7.564 1.00 0.00 N ATOM 418 CA GLN A 60 0.297 -8.537 -8.716 1.00 0.00 C ATOM 419 C GLN A 60 -1.147 -8.821 -8.315 1.00 0.00 C ATOM 420 O GLN A 60 -2.056 -8.752 -9.142 1.00 0.00 O ATOM 421 CB GLN A 60 0.918 -9.783 -9.348 1.00 0.00 C ATOM 422 CG GLN A 60 2.230 -9.512 -10.066 1.00 0.00 C ATOM 423 CD GLN A 60 2.465 -10.456 -11.228 1.00 0.00 C ATOM 424 OE1 GLN A 60 1.810 -10.357 -12.266 1.00 0.00 O ATOM 425 NE2 GLN A 60 3.406 -11.379 -11.061 1.00 0.00 N ATOM 0 H GLN A 60 1.762 -8.795 -7.238 1.00 0.00 H new ATOM 0 HA GLN A 60 0.300 -7.729 -9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.086 -10.529 -8.571 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.209 -10.213 -10.055 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.235 -8.485 -10.431 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.053 -9.602 -9.357 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.925 -11.425 -10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.609 -12.041 -11.810 1.00 0.00 H new ATOM 434 N ASP A 61 -1.350 -9.141 -7.041 1.00 0.00 N ATOM 435 CA ASP A 61 -2.683 -9.435 -6.530 1.00 0.00 C ATOM 436 C ASP A 61 -3.261 -8.230 -5.795 1.00 0.00 C ATOM 437 O ASP A 61 -4.465 -8.163 -5.540 1.00 0.00 O ATOM 438 CB ASP A 61 -2.639 -10.645 -5.596 1.00 0.00 C ATOM 439 CG ASP A 61 -3.977 -11.353 -5.500 1.00 0.00 C ATOM 440 OD1 ASP A 61 -4.816 -10.925 -4.681 1.00 0.00 O ATOM 441 OD2 ASP A 61 -4.184 -12.334 -6.245 1.00 0.00 O ATOM 0 H ASP A 61 -0.608 -9.203 -6.344 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.328 -9.664 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.885 -11.347 -5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.330 -10.322 -4.602 1.00 0.00 H new ATOM 446 N LEU A 62 -2.397 -7.280 -5.455 1.00 0.00 N ATOM 447 CA LEU A 62 -2.821 -6.077 -4.748 1.00 0.00 C ATOM 448 C LEU A 62 -3.189 -4.969 -5.730 1.00 0.00 C ATOM 449 O LEU A 62 -4.145 -4.224 -5.513 1.00 0.00 O ATOM 450 CB LEU A 62 -1.713 -5.596 -3.810 1.00 0.00 C ATOM 451 CG LEU A 62 -1.363 -6.529 -2.650 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.145 -6.014 -1.900 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.549 -6.677 -1.708 1.00 0.00 C ATOM 0 H LEU A 62 -1.398 -7.320 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.705 -6.324 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.812 -5.429 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.007 -4.631 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.124 -7.511 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.089 -6.691 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.705 -5.961 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.355 -5.021 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.282 -7.344 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.819 -5.700 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.397 -7.093 -2.253 1.00 0.00 H new ATOM 465 N LYS A 63 -2.424 -4.866 -6.811 1.00 0.00 N ATOM 466 CA LYS A 63 -2.670 -3.852 -7.830 1.00 0.00 C ATOM 467 C LYS A 63 -4.137 -3.845 -8.248 1.00 0.00 C ATOM 468 O LYS A 63 -4.774 -2.796 -8.349 1.00 0.00 O ATOM 469 CB LYS A 63 -1.782 -4.101 -9.051 1.00 0.00 C ATOM 470 CG LYS A 63 -1.335 -2.827 -9.747 1.00 0.00 C ATOM 471 CD LYS A 63 -0.618 -3.127 -11.053 1.00 0.00 C ATOM 472 CE LYS A 63 0.799 -3.623 -10.810 1.00 0.00 C ATOM 473 NZ LYS A 63 1.251 -4.555 -11.880 1.00 0.00 N ATOM 0 H LYS A 63 -1.627 -5.473 -7.005 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.427 -2.878 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.902 -4.664 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.324 -4.723 -9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.201 -2.195 -9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.673 -2.265 -9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.177 -3.878 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.589 -2.228 -11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.478 -2.772 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.847 -4.127 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.221 -4.871 -11.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.618 -5.380 -11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.230 -4.066 -12.798 1.00 0.00 H new ATOM 487 N PRO A 64 -4.688 -5.043 -8.495 1.00 0.00 N ATOM 488 CA PRO A 64 -6.087 -5.201 -8.903 1.00 0.00 C ATOM 489 C PRO A 64 -7.043 -4.404 -8.022 1.00 0.00 C ATOM 490 O PRO A 64 -7.951 -3.736 -8.518 1.00 0.00 O ATOM 491 CB PRO A 64 -6.337 -6.702 -8.741 1.00 0.00 C ATOM 492 CG PRO A 64 -4.993 -7.328 -8.892 1.00 0.00 C ATOM 493 CD PRO A 64 -3.989 -6.335 -8.394 1.00 0.00 C ATOM 0 HA PRO A 64 -6.260 -4.833 -9.914 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.772 -6.928 -7.767 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.033 -7.071 -9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.933 -8.255 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.800 -7.581 -9.935 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.691 -6.549 -7.368 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.082 -6.347 -8.998 1.00 0.00 H new ATOM 501 N LEU A 65 -6.832 -4.477 -6.712 1.00 0.00 N ATOM 502 CA LEU A 65 -7.675 -3.761 -5.761 1.00 0.00 C ATOM 503 C LEU A 65 -7.432 -2.258 -5.842 1.00 0.00 C ATOM 504 O LEU A 65 -8.363 -1.478 -6.046 1.00 0.00 O ATOM 505 CB LEU A 65 -7.406 -4.256 -4.338 1.00 0.00 C ATOM 506 CG LEU A 65 -7.912 -5.661 -4.010 1.00 0.00 C ATOM 507 CD1 LEU A 65 -7.525 -6.051 -2.592 1.00 0.00 C ATOM 508 CD2 LEU A 65 -9.421 -5.742 -4.193 1.00 0.00 C ATOM 0 H LEU A 65 -6.085 -5.024 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.716 -3.957 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.331 -4.228 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.861 -3.555 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.444 -6.364 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.894 -7.054 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.440 -6.035 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.964 -5.344 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.763 -6.749 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.907 -5.027 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.675 -5.507 -5.227 1.00 0.00 H new ATOM 520 N PHE A 66 -6.175 -1.857 -5.683 1.00 0.00 N ATOM 521 CA PHE A 66 -5.809 -0.447 -5.740 1.00 0.00 C ATOM 522 C PHE A 66 -6.219 0.168 -7.076 1.00 0.00 C ATOM 523 O PHE A 66 -6.438 1.375 -7.173 1.00 0.00 O ATOM 524 CB PHE A 66 -4.303 -0.279 -5.530 1.00 0.00 C ATOM 525 CG PHE A 66 -3.812 -0.850 -4.230 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.483 -0.589 -3.046 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.680 -1.649 -4.192 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.033 -1.112 -1.849 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.226 -2.175 -2.998 1.00 0.00 C ATOM 530 CZ PHE A 66 -2.904 -1.907 -1.825 1.00 0.00 C ATOM 0 H PHE A 66 -5.393 -2.489 -5.514 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.340 0.072 -4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.774 -0.760 -6.352 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.055 0.782 -5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.368 0.030 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.147 -1.863 -5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.564 -0.899 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.342 -2.795 -2.982 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.552 -2.318 -0.891 1.00 0.00 H new ATOM 540 N GLU A 67 -6.320 -0.672 -8.101 1.00 0.00 N ATOM 541 CA GLU A 67 -6.702 -0.211 -9.431 1.00 0.00 C ATOM 542 C GLU A 67 -8.217 -0.069 -9.543 1.00 0.00 C ATOM 543 O GLU A 67 -8.739 0.308 -10.591 1.00 0.00 O ATOM 544 CB GLU A 67 -6.189 -1.180 -10.498 1.00 0.00 C ATOM 545 CG GLU A 67 -4.738 -0.948 -10.884 1.00 0.00 C ATOM 546 CD GLU A 67 -4.400 -1.514 -12.249 1.00 0.00 C ATOM 547 OE1 GLU A 67 -4.385 -2.756 -12.388 1.00 0.00 O ATOM 548 OE2 GLU A 67 -4.150 -0.718 -13.178 1.00 0.00 O ATOM 0 H GLU A 67 -6.143 -1.674 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.250 0.768 -9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.300 -2.201 -10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.812 -1.090 -11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.531 0.122 -10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.090 -1.403 -10.135 1.00 0.00 H new ATOM 555 N GLU A 68 -8.917 -0.375 -8.455 1.00 0.00 N ATOM 556 CA GLU A 68 -10.372 -0.284 -8.432 1.00 0.00 C ATOM 557 C GLU A 68 -10.822 1.145 -8.142 1.00 0.00 C ATOM 558 O GLU A 68 -11.900 1.566 -8.564 1.00 0.00 O ATOM 559 CB GLU A 68 -10.948 -1.234 -7.381 1.00 0.00 C ATOM 560 CG GLU A 68 -12.460 -1.149 -7.246 1.00 0.00 C ATOM 561 CD GLU A 68 -12.896 -0.152 -6.190 1.00 0.00 C ATOM 562 OE1 GLU A 68 -13.045 1.041 -6.525 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.088 -0.567 -5.028 1.00 0.00 O ATOM 0 H GLU A 68 -8.500 -0.688 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.744 -0.572 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.672 -2.257 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.493 -1.013 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.892 -0.867 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.855 -2.134 -6.996 1.00 0.00 H new ATOM 570 N PHE A 69 -9.990 1.887 -7.419 1.00 0.00 N ATOM 571 CA PHE A 69 -10.302 3.268 -7.071 1.00 0.00 C ATOM 572 C PHE A 69 -9.579 4.240 -8.000 1.00 0.00 C ATOM 573 O PHE A 69 -10.173 5.193 -8.503 1.00 0.00 O ATOM 574 CB PHE A 69 -9.914 3.551 -5.618 1.00 0.00 C ATOM 575 CG PHE A 69 -10.654 2.702 -4.624 1.00 0.00 C ATOM 576 CD1 PHE A 69 -10.154 1.468 -4.239 1.00 0.00 C ATOM 577 CD2 PHE A 69 -11.849 3.137 -4.076 1.00 0.00 C ATOM 578 CE1 PHE A 69 -10.832 0.685 -3.324 1.00 0.00 C ATOM 579 CE2 PHE A 69 -12.532 2.358 -3.160 1.00 0.00 C ATOM 580 CZ PHE A 69 -12.023 1.130 -2.785 1.00 0.00 C ATOM 0 H PHE A 69 -9.094 1.555 -7.063 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.376 3.411 -7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.843 3.387 -5.498 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.102 4.602 -5.398 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.224 1.114 -4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.252 4.096 -4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.431 -0.274 -3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -13.462 2.709 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.556 0.519 -2.071 1.00 0.00 H new ATOM 590 N GLY A 70 -8.293 3.990 -8.223 1.00 0.00 N ATOM 591 CA GLY A 70 -7.509 4.851 -9.090 1.00 0.00 C ATOM 592 C GLY A 70 -6.199 4.214 -9.509 1.00 0.00 C ATOM 593 O GLY A 70 -5.875 3.106 -9.081 1.00 0.00 O ATOM 0 H GLY A 70 -7.780 3.207 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.092 5.094 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.305 5.790 -8.576 1.00 0.00 H new ATOM 597 N ARG A 71 -5.446 4.914 -10.351 1.00 0.00 N ATOM 598 CA ARG A 71 -4.165 4.409 -10.831 1.00 0.00 C ATOM 599 C ARG A 71 -3.106 4.485 -9.736 1.00 0.00 C ATOM 600 O ARG A 71 -3.128 5.387 -8.898 1.00 0.00 O ATOM 601 CB ARG A 71 -3.706 5.202 -12.055 1.00 0.00 C ATOM 602 CG ARG A 71 -2.435 4.662 -12.690 1.00 0.00 C ATOM 603 CD ARG A 71 -2.691 3.355 -13.424 1.00 0.00 C ATOM 604 NE ARG A 71 -2.511 2.195 -12.555 1.00 0.00 N ATOM 605 CZ ARG A 71 -1.325 1.672 -12.265 1.00 0.00 C ATOM 606 NH1 ARG A 71 -0.220 2.203 -12.771 1.00 0.00 N ATOM 607 NH2 ARG A 71 -1.241 0.616 -11.466 1.00 0.00 N ATOM 0 H ARG A 71 -5.701 5.832 -10.715 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.298 3.364 -11.113 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.503 5.199 -12.799 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.544 6.240 -11.765 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.033 5.399 -13.386 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.680 4.506 -11.920 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.706 3.356 -13.822 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.014 3.279 -14.275 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.341 1.763 -12.149 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.279 3.015 -13.385 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.689 1.799 -12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.088 0.205 -11.074 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.330 0.215 -11.244 1.00 0.00 H new ATOM 621 N ILE A 72 -2.180 3.532 -9.748 1.00 0.00 N ATOM 622 CA ILE A 72 -1.112 3.491 -8.756 1.00 0.00 C ATOM 623 C ILE A 72 0.152 4.163 -9.282 1.00 0.00 C ATOM 624 O ILE A 72 0.477 4.059 -10.465 1.00 0.00 O ATOM 625 CB ILE A 72 -0.779 2.045 -8.346 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.038 1.328 -7.855 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.297 2.034 -7.270 1.00 0.00 C ATOM 628 CD1 ILE A 72 -1.972 -0.177 -8.000 1.00 0.00 C ATOM 0 H ILE A 72 -2.148 2.778 -10.434 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.472 4.033 -7.882 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.398 1.514 -9.219 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.203 1.577 -6.807 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.899 1.701 -8.410 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.522 1.005 -6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.199 2.511 -7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.058 2.578 -6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.898 -0.619 -7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.839 -0.436 -9.050 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.132 -0.562 -7.422 1.00 0.00 H new ATOM 640 N TYR A 73 0.862 4.851 -8.395 1.00 0.00 N ATOM 641 CA TYR A 73 2.091 5.540 -8.769 1.00 0.00 C ATOM 642 C TYR A 73 3.317 4.723 -8.372 1.00 0.00 C ATOM 643 O TYR A 73 4.361 4.797 -9.019 1.00 0.00 O ATOM 644 CB TYR A 73 2.148 6.919 -8.109 1.00 0.00 C ATOM 645 CG TYR A 73 3.358 7.733 -8.510 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.620 7.428 -8.015 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.238 8.806 -9.384 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.728 8.169 -8.379 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.341 9.552 -9.754 1.00 0.00 C ATOM 650 CZ TYR A 73 5.583 9.230 -9.249 1.00 0.00 C ATOM 651 OH TYR A 73 6.683 9.971 -9.614 1.00 0.00 O ATOM 0 H TYR A 73 0.607 4.946 -7.412 1.00 0.00 H new ATOM 0 HA TYR A 73 2.094 5.662 -9.852 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.246 7.474 -8.367 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.147 6.795 -7.026 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.737 6.598 -7.334 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.267 9.062 -9.781 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.702 7.919 -7.985 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.231 10.383 -10.435 1.00 0.00 H new ATOM 0 HH TYR A 73 6.409 10.680 -10.233 1.00 0.00 H new ATOM 661 N GLU A 74 3.180 3.943 -7.304 1.00 0.00 N ATOM 662 CA GLU A 74 4.276 3.111 -6.821 1.00 0.00 C ATOM 663 C GLU A 74 3.786 2.129 -5.760 1.00 0.00 C ATOM 664 O GLU A 74 3.034 2.497 -4.857 1.00 0.00 O ATOM 665 CB GLU A 74 5.393 3.985 -6.246 1.00 0.00 C ATOM 666 CG GLU A 74 6.577 3.191 -5.722 1.00 0.00 C ATOM 667 CD GLU A 74 7.626 2.935 -6.786 1.00 0.00 C ATOM 668 OE1 GLU A 74 8.410 3.863 -7.081 1.00 0.00 O ATOM 669 OE2 GLU A 74 7.665 1.810 -7.325 1.00 0.00 O ATOM 0 H GLU A 74 2.322 3.870 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 74 4.667 2.542 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.740 4.672 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.987 4.593 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.032 3.730 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.224 2.238 -5.328 1.00 0.00 H new ATOM 676 N LEU A 75 4.219 0.879 -5.876 1.00 0.00 N ATOM 677 CA LEU A 75 3.825 -0.158 -4.928 1.00 0.00 C ATOM 678 C LEU A 75 5.028 -0.997 -4.509 1.00 0.00 C ATOM 679 O LEU A 75 5.751 -1.531 -5.351 1.00 0.00 O ATOM 680 CB LEU A 75 2.751 -1.057 -5.542 1.00 0.00 C ATOM 681 CG LEU A 75 2.178 -2.140 -4.627 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.859 -1.565 -3.255 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.937 -2.762 -5.249 1.00 0.00 C ATOM 0 H LEU A 75 4.843 0.558 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 75 3.418 0.330 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.930 -0.427 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.171 -1.540 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 75 2.929 -2.921 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.452 -2.350 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.770 -1.168 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.126 -0.765 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.543 -3.531 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.181 -1.992 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.196 -3.210 -6.208 1.00 0.00 H new ATOM 695 N THR A 76 5.236 -1.112 -3.201 1.00 0.00 N ATOM 696 CA THR A 76 6.350 -1.888 -2.669 1.00 0.00 C ATOM 697 C THR A 76 5.925 -2.693 -1.447 1.00 0.00 C ATOM 698 O THR A 76 5.282 -2.168 -0.538 1.00 0.00 O ATOM 699 CB THR A 76 7.534 -0.980 -2.287 1.00 0.00 C ATOM 700 OG1 THR A 76 8.194 -0.512 -3.468 1.00 0.00 O ATOM 701 CG2 THR A 76 8.526 -1.726 -1.407 1.00 0.00 C ATOM 0 H THR A 76 4.647 -0.677 -2.490 1.00 0.00 H new ATOM 0 HA THR A 76 6.666 -2.571 -3.458 1.00 0.00 H new ATOM 0 HB THR A 76 7.145 -0.129 -1.728 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.944 0.066 -3.216 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.353 -1.065 -1.150 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.028 -2.055 -0.495 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.909 -2.594 -1.945 1.00 0.00 H new ATOM 709 N VAL A 77 6.290 -3.971 -1.429 1.00 0.00 N ATOM 710 CA VAL A 77 5.949 -4.849 -0.317 1.00 0.00 C ATOM 711 C VAL A 77 7.127 -5.010 0.638 1.00 0.00 C ATOM 712 O VAL A 77 8.234 -5.355 0.222 1.00 0.00 O ATOM 713 CB VAL A 77 5.510 -6.239 -0.813 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.321 -7.190 0.360 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.233 -6.133 -1.634 1.00 0.00 C ATOM 0 H VAL A 77 6.823 -4.421 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 77 5.118 -4.382 0.212 1.00 0.00 H new ATOM 0 HB VAL A 77 6.295 -6.641 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.011 -8.167 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.261 -7.289 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.556 -6.796 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.937 -7.125 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.439 -5.710 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.407 -5.489 -2.496 1.00 0.00 H new ATOM 725 N LEU A 78 6.882 -4.759 1.919 1.00 0.00 N ATOM 726 CA LEU A 78 7.922 -4.877 2.934 1.00 0.00 C ATOM 727 C LEU A 78 8.190 -6.340 3.272 1.00 0.00 C ATOM 728 O LEU A 78 7.262 -7.138 3.407 1.00 0.00 O ATOM 729 CB LEU A 78 7.518 -4.116 4.198 1.00 0.00 C ATOM 730 CG LEU A 78 7.433 -2.595 4.067 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.590 -2.009 5.189 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.826 -1.981 4.068 1.00 0.00 C ATOM 0 H LEU A 78 5.972 -4.472 2.279 1.00 0.00 H new ATOM 0 HA LEU A 78 8.837 -4.442 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.547 -4.487 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.233 -4.353 4.985 1.00 0.00 H new ATOM 0 HG LEU A 78 6.953 -2.358 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.541 -0.926 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.583 -2.425 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.041 -2.256 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.746 -0.898 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.332 -2.228 5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.399 -2.377 3.229 1.00 0.00 H new ATOM 744 N LYS A 79 9.466 -6.687 3.409 1.00 0.00 N ATOM 745 CA LYS A 79 9.857 -8.053 3.734 1.00 0.00 C ATOM 746 C LYS A 79 10.976 -8.066 4.771 1.00 0.00 C ATOM 747 O LYS A 79 11.750 -7.114 4.875 1.00 0.00 O ATOM 748 CB LYS A 79 10.309 -8.791 2.472 1.00 0.00 C ATOM 749 CG LYS A 79 9.160 -9.238 1.585 1.00 0.00 C ATOM 750 CD LYS A 79 9.627 -10.210 0.515 1.00 0.00 C ATOM 751 CE LYS A 79 8.462 -10.729 -0.314 1.00 0.00 C ATOM 752 NZ LYS A 79 7.990 -9.719 -1.301 1.00 0.00 N ATOM 0 H LYS A 79 10.247 -6.040 3.300 1.00 0.00 H new ATOM 0 HA LYS A 79 8.989 -8.562 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.969 -8.141 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.894 -9.664 2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.390 -9.710 2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.704 -8.368 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.347 -9.716 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.143 -11.048 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.765 -11.635 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.640 -11.003 0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.196 -10.111 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.677 -8.863 -0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.767 -9.476 -1.948 1.00 0.00 H new ATOM 766 N ASP A 80 11.057 -9.150 5.534 1.00 0.00 N ATOM 767 CA ASP A 80 12.083 -9.288 6.561 1.00 0.00 C ATOM 768 C ASP A 80 13.477 -9.285 5.940 1.00 0.00 C ATOM 769 O ASP A 80 13.625 -9.169 4.724 1.00 0.00 O ATOM 770 CB ASP A 80 11.869 -10.576 7.357 1.00 0.00 C ATOM 771 CG ASP A 80 10.810 -10.424 8.431 1.00 0.00 C ATOM 772 OD1 ASP A 80 11.068 -9.705 9.419 1.00 0.00 O ATOM 773 OD2 ASP A 80 9.724 -11.023 8.284 1.00 0.00 O ATOM 0 H ASP A 80 10.424 -9.947 5.461 1.00 0.00 H new ATOM 0 HA ASP A 80 12.003 -8.436 7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.579 -11.376 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.810 -10.875 7.819 1.00 0.00 H new ATOM 778 N ARG A 81 14.495 -9.412 6.784 1.00 0.00 N ATOM 779 CA ARG A 81 15.877 -9.421 6.319 1.00 0.00 C ATOM 780 C ARG A 81 16.573 -10.722 6.709 1.00 0.00 C ATOM 781 O ARG A 81 17.239 -11.353 5.888 1.00 0.00 O ATOM 782 CB ARG A 81 16.640 -8.228 6.897 1.00 0.00 C ATOM 783 CG ARG A 81 16.297 -6.905 6.231 1.00 0.00 C ATOM 784 CD ARG A 81 16.442 -5.741 7.198 1.00 0.00 C ATOM 785 NE ARG A 81 15.965 -4.487 6.621 1.00 0.00 N ATOM 786 CZ ARG A 81 15.632 -3.424 7.345 1.00 0.00 C ATOM 787 NH1 ARG A 81 15.725 -3.463 8.667 1.00 0.00 N ATOM 788 NH2 ARG A 81 15.206 -2.319 6.746 1.00 0.00 N ATOM 0 H ARG A 81 14.389 -9.510 7.794 1.00 0.00 H new ATOM 0 HA ARG A 81 15.869 -9.345 5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 81 16.428 -8.154 7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 81 17.710 -8.409 6.797 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.949 -6.749 5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.275 -6.941 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.885 -5.956 8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.489 -5.634 7.482 1.00 0.00 H new ATOM 0 HE ARG A 81 15.883 -4.424 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.053 -4.310 9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.469 -2.646 9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.134 -2.285 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.951 -1.503 7.303 1.00 0.00 H new ATOM 802 N LEU A 82 16.415 -11.116 7.968 1.00 0.00 N ATOM 803 CA LEU A 82 17.029 -12.342 8.468 1.00 0.00 C ATOM 804 C LEU A 82 16.387 -13.571 7.833 1.00 0.00 C ATOM 805 O LEU A 82 17.078 -14.502 7.418 1.00 0.00 O ATOM 806 CB LEU A 82 16.901 -12.414 9.991 1.00 0.00 C ATOM 807 CG LEU A 82 17.652 -11.341 10.780 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.128 -11.261 12.205 1.00 0.00 C ATOM 809 CD2 LEU A 82 19.148 -11.623 10.774 1.00 0.00 C ATOM 0 H LEU A 82 15.868 -10.605 8.661 1.00 0.00 H new ATOM 0 HA LEU A 82 18.085 -12.327 8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.844 -12.353 10.250 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.254 -13.392 10.319 1.00 0.00 H new ATOM 0 HG LEU A 82 17.482 -10.378 10.298 1.00 0.00 H new ATOM 0 HD11 LEU A 82 17.675 -10.492 12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.067 -11.010 12.189 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.266 -12.223 12.698 1.00 0.00 H new ATOM 0 HD21 LEU A 82 19.666 -10.849 11.340 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.337 -12.595 11.230 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.513 -11.627 9.747 1.00 0.00 H new ATOM 821 N THR A 83 15.060 -13.567 7.760 1.00 0.00 N ATOM 822 CA THR A 83 14.324 -14.681 7.174 1.00 0.00 C ATOM 823 C THR A 83 13.852 -14.348 5.763 1.00 0.00 C ATOM 824 O THR A 83 13.649 -15.239 4.940 1.00 0.00 O ATOM 825 CB THR A 83 13.104 -15.062 8.034 1.00 0.00 C ATOM 826 OG1 THR A 83 12.174 -13.974 8.075 1.00 0.00 O ATOM 827 CG2 THR A 83 13.531 -15.424 9.449 1.00 0.00 C ATOM 0 H THR A 83 14.473 -12.805 8.099 1.00 0.00 H new ATOM 0 HA THR A 83 15.011 -15.527 7.134 1.00 0.00 H new ATOM 0 HB THR A 83 12.626 -15.931 7.582 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.401 -14.225 8.622 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.653 -15.689 10.037 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.216 -16.271 9.417 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.031 -14.571 9.908 1.00 0.00 H new ATOM 835 N GLY A 84 13.681 -13.058 5.491 1.00 0.00 N ATOM 836 CA GLY A 84 13.235 -12.630 4.178 1.00 0.00 C ATOM 837 C GLY A 84 11.826 -13.092 3.865 1.00 0.00 C ATOM 838 O GLY A 84 11.453 -13.228 2.699 1.00 0.00 O ATOM 0 H GLY A 84 13.843 -12.302 6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.279 -11.542 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.918 -13.018 3.422 1.00 0.00 H new ATOM 842 N LEU A 85 11.040 -13.336 4.908 1.00 0.00 N ATOM 843 CA LEU A 85 9.663 -13.787 4.739 1.00 0.00 C ATOM 844 C LEU A 85 8.704 -12.602 4.685 1.00 0.00 C ATOM 845 O LEU A 85 8.926 -11.580 5.335 1.00 0.00 O ATOM 846 CB LEU A 85 9.269 -14.725 5.882 1.00 0.00 C ATOM 847 CG LEU A 85 10.026 -16.052 5.952 1.00 0.00 C ATOM 848 CD1 LEU A 85 9.709 -16.778 7.250 1.00 0.00 C ATOM 849 CD2 LEU A 85 9.685 -16.925 4.753 1.00 0.00 C ATOM 0 H LEU A 85 11.333 -13.229 5.879 1.00 0.00 H new ATOM 0 HA LEU A 85 9.597 -14.327 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.413 -14.197 6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.204 -14.941 5.797 1.00 0.00 H new ATOM 0 HG LEU A 85 11.095 -15.841 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.256 -17.720 7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.004 -16.157 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.639 -16.978 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.233 -17.865 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.614 -17.129 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.963 -16.407 3.835 1.00 0.00 H new ATOM 861 N HIS A 86 7.636 -12.747 3.907 1.00 0.00 N ATOM 862 CA HIS A 86 6.640 -11.689 3.771 1.00 0.00 C ATOM 863 C HIS A 86 6.065 -11.306 5.131 1.00 0.00 C ATOM 864 O HIS A 86 5.187 -11.988 5.661 1.00 0.00 O ATOM 865 CB HIS A 86 5.516 -12.135 2.836 1.00 0.00 C ATOM 866 CG HIS A 86 4.592 -11.026 2.438 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.060 -10.130 3.341 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.108 -10.669 1.226 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.287 -9.271 2.701 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.299 -9.576 1.416 1.00 0.00 N ATOM 0 H HIS A 86 7.438 -13.586 3.361 1.00 0.00 H new ATOM 0 HA HIS A 86 7.131 -10.814 3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.953 -12.572 1.938 1.00 0.00 H new ATOM 0 HB3 HIS A 86 4.939 -12.920 3.324 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.319 -11.154 0.284 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.738 -8.457 3.152 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.790 -9.080 0.684 1.00 0.00 H new ATOM 879 N LYS A 87 6.566 -10.210 5.692 1.00 0.00 N ATOM 880 CA LYS A 87 6.102 -9.735 6.990 1.00 0.00 C ATOM 881 C LYS A 87 4.583 -9.596 7.008 1.00 0.00 C ATOM 882 O LYS A 87 3.918 -10.072 7.927 1.00 0.00 O ATOM 883 CB LYS A 87 6.752 -8.390 7.326 1.00 0.00 C ATOM 884 CG LYS A 87 8.224 -8.499 7.685 1.00 0.00 C ATOM 885 CD LYS A 87 8.983 -7.236 7.315 1.00 0.00 C ATOM 886 CE LYS A 87 8.919 -6.201 8.429 1.00 0.00 C ATOM 887 NZ LYS A 87 9.647 -6.653 9.647 1.00 0.00 N ATOM 0 H LYS A 87 7.293 -9.634 5.268 1.00 0.00 H new ATOM 0 HA LYS A 87 6.391 -10.469 7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.643 -7.720 6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.216 -7.935 8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.326 -8.686 8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.663 -9.353 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.024 -7.484 7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.566 -6.814 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.347 -5.262 8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.877 -6.002 8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.987 -6.698 10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.053 -7.596 9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.410 -5.981 9.865 1.00 0.00 H new ATOM 901 N GLY A 88 4.041 -8.941 5.986 1.00 0.00 N ATOM 902 CA GLY A 88 2.605 -8.753 5.903 1.00 0.00 C ATOM 903 C GLY A 88 2.216 -7.291 5.804 1.00 0.00 C ATOM 904 O GLY A 88 1.237 -6.859 6.414 1.00 0.00 O ATOM 0 H GLY A 88 4.571 -8.537 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.221 -9.287 5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.133 -9.193 6.782 1.00 0.00 H new ATOM 908 N CYS A 89 2.985 -6.528 5.035 1.00 0.00 N ATOM 909 CA CYS A 89 2.717 -5.105 4.859 1.00 0.00 C ATOM 910 C CYS A 89 3.317 -4.596 3.553 1.00 0.00 C ATOM 911 O CYS A 89 4.211 -5.221 2.983 1.00 0.00 O ATOM 912 CB CYS A 89 3.281 -4.309 6.038 1.00 0.00 C ATOM 913 SG CYS A 89 3.249 -5.199 7.611 1.00 0.00 S ATOM 0 H CYS A 89 3.798 -6.871 4.524 1.00 0.00 H new ATOM 0 HA CYS A 89 1.637 -4.966 4.820 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.310 -4.027 5.813 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.713 -3.385 6.144 1.00 0.00 H new ATOM 0 HG CYS A 89 2.216 -5.988 7.642 1.00 0.00 H new ATOM 919 N ALA A 90 2.818 -3.457 3.082 1.00 0.00 N ATOM 920 CA ALA A 90 3.306 -2.864 1.843 1.00 0.00 C ATOM 921 C ALA A 90 2.944 -1.385 1.763 1.00 0.00 C ATOM 922 O ALA A 90 1.911 -0.959 2.282 1.00 0.00 O ATOM 923 CB ALA A 90 2.744 -3.612 0.643 1.00 0.00 C ATOM 0 H ALA A 90 2.076 -2.927 3.540 1.00 0.00 H new ATOM 0 HA ALA A 90 4.393 -2.947 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.117 -3.159 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.057 -4.655 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.655 -3.559 0.658 1.00 0.00 H new ATOM 929 N PHE A 91 3.800 -0.605 1.111 1.00 0.00 N ATOM 930 CA PHE A 91 3.571 0.828 0.965 1.00 0.00 C ATOM 931 C PHE A 91 2.962 1.145 -0.398 1.00 0.00 C ATOM 932 O PHE A 91 3.538 0.822 -1.438 1.00 0.00 O ATOM 933 CB PHE A 91 4.882 1.596 1.143 1.00 0.00 C ATOM 934 CG PHE A 91 5.290 1.762 2.579 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.499 2.483 3.459 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.464 1.196 3.049 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.873 2.637 4.780 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.843 1.347 4.369 1.00 0.00 C ATOM 939 CZ PHE A 91 6.045 2.068 5.236 1.00 0.00 C ATOM 0 H PHE A 91 4.659 -0.941 0.675 1.00 0.00 H new ATOM 0 HA PHE A 91 2.868 1.140 1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.675 1.075 0.606 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.782 2.581 0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.580 2.929 3.108 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.090 0.630 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.248 3.202 5.456 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.761 0.902 4.722 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.338 2.186 6.269 1.00 0.00 H new ATOM 949 N LEU A 92 1.795 1.778 -0.385 1.00 0.00 N ATOM 950 CA LEU A 92 1.107 2.140 -1.619 1.00 0.00 C ATOM 951 C LEU A 92 1.149 3.647 -1.845 1.00 0.00 C ATOM 952 O LEU A 92 0.973 4.432 -0.912 1.00 0.00 O ATOM 953 CB LEU A 92 -0.345 1.660 -1.576 1.00 0.00 C ATOM 954 CG LEU A 92 -1.271 2.224 -2.655 1.00 0.00 C ATOM 955 CD1 LEU A 92 -0.888 1.681 -4.023 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.722 1.896 -2.337 1.00 0.00 C ATOM 0 H LEU A 92 1.305 2.051 0.467 1.00 0.00 H new ATOM 0 HA LEU A 92 1.621 1.653 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.350 0.573 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.761 1.912 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.160 3.308 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.557 2.093 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.138 1.966 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.970 0.594 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.366 2.305 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.849 0.814 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.992 2.333 -1.376 1.00 0.00 H new ATOM 968 N THR A 93 1.383 4.047 -3.091 1.00 0.00 N ATOM 969 CA THR A 93 1.448 5.461 -3.441 1.00 0.00 C ATOM 970 C THR A 93 0.526 5.781 -4.612 1.00 0.00 C ATOM 971 O THR A 93 0.777 5.365 -5.744 1.00 0.00 O ATOM 972 CB THR A 93 2.884 5.885 -3.802 1.00 0.00 C ATOM 973 OG1 THR A 93 3.772 5.577 -2.722 1.00 0.00 O ATOM 974 CG2 THR A 93 2.947 7.374 -4.108 1.00 0.00 C ATOM 0 H THR A 93 1.531 3.411 -3.875 1.00 0.00 H new ATOM 0 HA THR A 93 1.122 6.019 -2.563 1.00 0.00 H new ATOM 0 HB THR A 93 3.190 5.334 -4.691 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.683 5.848 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.971 7.651 -4.360 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.292 7.601 -4.949 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.623 7.939 -3.234 1.00 0.00 H new ATOM 982 N TYR A 94 -0.541 6.521 -4.334 1.00 0.00 N ATOM 983 CA TYR A 94 -1.502 6.895 -5.365 1.00 0.00 C ATOM 984 C TYR A 94 -1.051 8.155 -6.099 1.00 0.00 C ATOM 985 O TYR A 94 -0.499 9.075 -5.494 1.00 0.00 O ATOM 986 CB TYR A 94 -2.883 7.119 -4.747 1.00 0.00 C ATOM 987 CG TYR A 94 -3.741 5.874 -4.714 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.269 5.339 -5.883 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.023 5.232 -3.515 1.00 0.00 C ATOM 990 CE1 TYR A 94 -5.053 4.202 -5.858 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.805 4.094 -3.481 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.318 3.583 -4.655 1.00 0.00 C ATOM 993 OH TYR A 94 -6.099 2.450 -4.625 1.00 0.00 O ATOM 0 H TYR A 94 -0.763 6.874 -3.403 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.561 6.078 -6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.761 7.493 -3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.403 7.894 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.063 5.821 -6.827 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.624 5.629 -2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.456 3.800 -6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.014 3.607 -2.540 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.289 2.159 -5.541 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.290 8.187 -7.405 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.909 9.333 -8.223 1.00 0.00 C ATOM 1005 C CYS A 95 -1.734 10.562 -7.856 1.00 0.00 C ATOM 1006 O CYS A 95 -1.292 11.696 -8.039 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.089 9.009 -9.707 1.00 0.00 C ATOM 1008 SG CYS A 95 -2.788 8.604 -10.174 1.00 0.00 S ATOM 0 H CYS A 95 -1.745 7.433 -7.920 1.00 0.00 H new ATOM 0 HA CYS A 95 0.141 9.552 -8.030 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.755 9.862 -10.297 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.443 8.170 -9.966 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.084 7.413 -9.744 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.936 10.329 -7.338 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.823 11.417 -6.945 1.00 0.00 C ATOM 1016 C ALA A 96 -4.154 11.345 -5.458 1.00 0.00 C ATOM 1017 O ALA A 96 -4.176 10.264 -4.869 1.00 0.00 O ATOM 1018 CB ALA A 96 -5.098 11.384 -7.774 1.00 0.00 C ATOM 0 H ALA A 96 -3.318 9.396 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.307 12.359 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.751 12.202 -7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.849 11.492 -8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.609 10.434 -7.617 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.410 12.502 -4.857 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.738 12.569 -3.438 1.00 0.00 C ATOM 1026 C ARG A 97 -6.044 11.836 -3.146 1.00 0.00 C ATOM 1027 O ARG A 97 -6.064 10.857 -2.400 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.848 14.027 -2.987 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.443 14.192 -1.598 1.00 0.00 C ATOM 1030 CD ARG A 97 -6.038 15.578 -1.407 1.00 0.00 C ATOM 1031 NE ARG A 97 -7.447 15.625 -1.789 1.00 0.00 N ATOM 1032 CZ ARG A 97 -8.071 16.738 -2.161 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -7.413 17.888 -2.202 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -9.355 16.700 -2.493 1.00 0.00 N ATOM 0 H ARG A 97 -4.397 13.405 -5.330 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.936 12.083 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.857 14.480 -3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.461 14.575 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.215 13.439 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.671 14.020 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.935 15.876 -0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.477 16.299 -2.002 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.981 14.756 -1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.426 17.920 -1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.894 18.741 -2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.864 15.816 -2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.833 17.554 -2.778 1.00 0.00 H new ATOM 1048 N ASP A 98 -7.131 12.316 -3.739 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.441 11.706 -3.543 1.00 0.00 C ATOM 1050 C ASP A 98 -8.358 10.188 -3.669 1.00 0.00 C ATOM 1051 O ASP A 98 -8.698 9.459 -2.738 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.442 12.261 -4.559 1.00 0.00 C ATOM 1053 CG ASP A 98 -10.161 13.494 -4.049 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -10.852 13.393 -3.014 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -10.033 14.561 -4.686 1.00 0.00 O ATOM 0 H ASP A 98 -7.131 13.126 -4.359 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.782 11.951 -2.537 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.919 12.505 -5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -10.174 11.491 -4.801 1.00 0.00 H new ATOM 1060 N SER A 99 -7.905 9.720 -4.828 1.00 0.00 N ATOM 1061 CA SER A 99 -7.782 8.288 -5.077 1.00 0.00 C ATOM 1062 C SER A 99 -7.373 7.548 -3.807 1.00 0.00 C ATOM 1063 O SER A 99 -7.939 6.509 -3.472 1.00 0.00 O ATOM 1064 CB SER A 99 -6.758 8.028 -6.184 1.00 0.00 C ATOM 1065 OG SER A 99 -7.118 8.699 -7.379 1.00 0.00 O ATOM 0 H SER A 99 -7.617 10.311 -5.608 1.00 0.00 H new ATOM 0 HA SER A 99 -8.755 7.915 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.773 8.362 -5.858 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.685 6.957 -6.372 1.00 0.00 H new ATOM 0 HG SER A 99 -6.447 8.519 -8.070 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.385 8.093 -3.104 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.901 7.487 -1.870 1.00 0.00 C ATOM 1073 C ALA A 100 -6.963 7.542 -0.778 1.00 0.00 C ATOM 1074 O ALA A 100 -7.314 6.520 -0.186 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.628 8.180 -1.406 1.00 0.00 C ATOM 0 H ALA A 100 -5.904 8.953 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.679 6.439 -2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.277 7.717 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.861 8.084 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.833 9.236 -1.228 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.473 8.740 -0.514 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.496 8.929 0.508 1.00 0.00 C ATOM 1083 C LEU A 101 -9.649 7.949 0.312 1.00 0.00 C ATOM 1084 O LEU A 101 -10.035 7.234 1.236 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.021 10.365 0.474 1.00 0.00 C ATOM 1086 CG LEU A 101 -7.981 11.465 0.692 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.539 12.817 0.277 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.532 11.494 2.145 1.00 0.00 C ATOM 0 H LEU A 101 -7.194 9.596 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.042 8.738 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.501 10.532 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.793 10.466 1.236 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.113 11.247 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.785 13.587 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.809 12.791 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.423 13.044 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.792 12.283 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.391 11.687 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.091 10.533 2.409 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.195 7.921 -0.900 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.301 7.028 -1.220 1.00 0.00 C ATOM 1102 C LYS A 102 -10.958 5.586 -0.861 1.00 0.00 C ATOM 1103 O LYS A 102 -11.525 5.017 0.072 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.648 7.125 -2.708 1.00 0.00 C ATOM 1105 CG LYS A 102 -12.097 8.511 -3.138 1.00 0.00 C ATOM 1106 CD LYS A 102 -11.967 8.698 -4.640 1.00 0.00 C ATOM 1107 CE LYS A 102 -12.344 10.110 -5.061 1.00 0.00 C ATOM 1108 NZ LYS A 102 -13.795 10.226 -5.373 1.00 0.00 N ATOM 0 H LYS A 102 -9.889 8.507 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.165 7.335 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.777 6.836 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.438 6.409 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.133 8.668 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.500 9.264 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.942 8.487 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.607 7.981 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.087 10.808 -4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.760 10.396 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.012 11.203 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.036 9.579 -6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.352 9.977 -4.531 1.00 0.00 H new ATOM 1122 N ALA A 103 -10.026 5.001 -1.606 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.605 3.627 -1.363 1.00 0.00 C ATOM 1124 C ALA A 103 -9.299 3.399 0.114 1.00 0.00 C ATOM 1125 O ALA A 103 -9.612 2.345 0.665 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.389 3.289 -2.214 1.00 0.00 C ATOM 0 H ALA A 103 -9.548 5.457 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.426 2.967 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.085 2.260 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.640 3.403 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.570 3.962 -1.961 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.686 4.394 0.747 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.337 4.300 2.159 1.00 0.00 C ATOM 1134 C GLN A 104 -9.578 4.057 3.011 1.00 0.00 C ATOM 1135 O GLN A 104 -9.693 3.029 3.680 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.632 5.578 2.618 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.195 5.542 4.074 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.140 6.922 4.700 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -7.838 7.202 5.675 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.307 7.793 4.142 1.00 0.00 N ATOM 0 H GLN A 104 -8.421 5.274 0.304 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.660 3.455 2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.758 5.747 1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.301 6.426 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.885 4.917 4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.212 5.076 4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.747 7.518 3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.227 8.737 4.521 1.00 0.00 H new ATOM 1149 N SER A 105 -10.506 5.009 2.983 1.00 0.00 N ATOM 1150 CA SER A 105 -11.737 4.899 3.757 1.00 0.00 C ATOM 1151 C SER A 105 -12.708 3.924 3.097 1.00 0.00 C ATOM 1152 O SER A 105 -13.796 3.670 3.614 1.00 0.00 O ATOM 1153 CB SER A 105 -12.396 6.272 3.903 1.00 0.00 C ATOM 1154 OG SER A 105 -13.451 6.233 4.848 1.00 0.00 O ATOM 0 H SER A 105 -10.429 5.864 2.433 1.00 0.00 H new ATOM 0 HA SER A 105 -11.483 4.518 4.746 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.652 7.005 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.781 6.599 2.937 1.00 0.00 H new ATOM 0 HG SER A 105 -13.879 5.352 4.825 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.305 3.381 1.953 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.138 2.433 1.223 1.00 0.00 C ATOM 1162 C ALA A 106 -12.689 0.998 1.480 1.00 0.00 C ATOM 1163 O ALA A 106 -13.444 0.051 1.256 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.105 2.740 -0.267 1.00 0.00 C ATOM 0 H ALA A 106 -11.407 3.581 1.512 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.162 2.535 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.731 2.024 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.480 3.749 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.080 2.667 -0.631 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.456 0.844 1.949 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.905 -0.476 2.235 1.00 0.00 C ATOM 1172 C LEU A 107 -10.602 -0.629 3.722 1.00 0.00 C ATOM 1173 O LEU A 107 -10.779 -1.705 4.295 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.634 -0.709 1.417 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.776 -0.570 -0.099 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.420 -0.326 -0.743 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.434 -1.809 -0.689 1.00 0.00 C ATOM 0 H LEU A 107 -10.818 1.617 2.139 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.650 -1.221 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.874 -0.006 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.263 -1.710 1.637 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.413 0.289 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.542 -0.230 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.987 0.591 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.758 -1.164 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.527 -1.692 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.823 -2.685 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.424 -1.939 -0.252 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.147 0.455 4.342 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.821 0.442 5.764 1.00 0.00 C ATOM 1191 C HIS A 108 -10.935 -0.219 6.570 1.00 0.00 C ATOM 1192 O HIS A 108 -12.072 0.251 6.577 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.588 1.866 6.268 1.00 0.00 C ATOM 1194 CG HIS A 108 -9.033 1.926 7.658 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.728 1.601 7.962 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.613 2.279 8.829 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.530 1.748 9.259 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.658 2.160 9.809 1.00 0.00 N ATOM 0 H HIS A 108 -9.996 1.353 3.883 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.907 -0.137 5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.903 2.375 5.590 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.531 2.412 6.238 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.636 2.595 8.967 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.603 1.563 9.782 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.797 2.358 10.800 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.600 -1.313 7.247 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.573 -2.039 8.055 1.00 0.00 C ATOM 1208 C GLU A 109 -12.921 -2.116 7.344 1.00 0.00 C ATOM 1209 O GLU A 109 -13.973 -2.078 7.981 1.00 0.00 O ATOM 1210 CB GLU A 109 -11.742 -1.366 9.418 1.00 0.00 C ATOM 1211 CG GLU A 109 -10.428 -1.120 10.142 1.00 0.00 C ATOM 1212 CD GLU A 109 -10.579 -1.148 11.651 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -11.541 -1.778 12.138 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -9.737 -0.540 12.343 1.00 0.00 O ATOM 0 H GLU A 109 -9.663 -1.716 7.252 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.200 -3.053 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.256 -0.415 9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.381 -1.988 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.704 -1.876 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.026 -0.153 9.839 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.880 -2.225 6.020 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.097 -2.306 5.222 1.00 0.00 C ATOM 1223 C GLN A 110 -14.044 -3.494 4.266 1.00 0.00 C ATOM 1224 O GLN A 110 -15.036 -4.197 4.076 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.303 -1.011 4.434 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.042 0.064 5.214 1.00 0.00 C ATOM 1227 CD GLN A 110 -15.815 1.010 4.316 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -17.001 1.261 4.534 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -15.146 1.540 3.299 1.00 0.00 N ATOM 0 H GLN A 110 -12.017 -2.259 5.478 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.938 -2.447 5.901 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.331 -0.623 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.858 -1.234 3.523 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.730 -0.409 5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.326 0.635 5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.164 1.304 3.156 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.614 2.183 2.661 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.878 -3.711 3.666 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.694 -4.814 2.730 1.00 0.00 C ATOM 1240 C LYS A 111 -11.989 -5.987 3.403 1.00 0.00 C ATOM 1241 O LYS A 111 -11.258 -5.810 4.378 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.886 -4.349 1.516 1.00 0.00 C ATOM 1243 CG LYS A 111 -12.236 -5.086 0.234 1.00 0.00 C ATOM 1244 CD LYS A 111 -11.346 -6.300 0.028 1.00 0.00 C ATOM 1245 CE LYS A 111 -11.140 -6.596 -1.450 1.00 0.00 C ATOM 1246 NZ LYS A 111 -12.182 -7.518 -1.981 1.00 0.00 N ATOM 0 H LYS A 111 -12.047 -3.138 3.811 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.678 -5.146 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.050 -3.282 1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.824 -4.483 1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.279 -5.400 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -12.133 -4.410 -0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.380 -6.129 0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.793 -7.167 0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.159 -5.663 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.155 -7.038 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.007 -7.695 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.147 -8.418 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.121 -7.086 -1.863 1.00 0.00 H new ATOM 1260 N THR A 112 -12.213 -7.187 2.877 1.00 0.00 N ATOM 1261 CA THR A 112 -11.600 -8.390 3.427 1.00 0.00 C ATOM 1262 C THR A 112 -10.905 -9.200 2.338 1.00 0.00 C ATOM 1263 O THR A 112 -11.558 -9.796 1.481 1.00 0.00 O ATOM 1264 CB THR A 112 -12.642 -9.281 4.128 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.231 -8.576 5.226 1.00 0.00 O ATOM 1266 CG2 THR A 112 -12.004 -10.568 4.629 1.00 0.00 C ATOM 0 H THR A 112 -12.815 -7.352 2.070 1.00 0.00 H new ATOM 0 HA THR A 112 -10.862 -8.062 4.159 1.00 0.00 H new ATOM 0 HB THR A 112 -13.416 -9.535 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.894 -9.149 5.665 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.759 -11.181 5.121 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.583 -11.117 3.787 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.212 -10.329 5.339 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.577 -9.218 2.378 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.792 -9.956 1.395 1.00 0.00 C ATOM 1276 C LEU A 113 -9.137 -11.442 1.427 1.00 0.00 C ATOM 1277 O LEU A 113 -9.609 -11.973 2.433 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.298 -9.762 1.656 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.698 -8.441 1.175 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.301 -8.250 1.744 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.668 -8.391 -0.346 1.00 0.00 C ATOM 0 H LEU A 113 -9.022 -8.730 3.081 1.00 0.00 H new ATOM 0 HA LEU A 113 -9.035 -9.567 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.123 -9.848 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.757 -10.579 1.178 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.328 -7.627 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.890 -7.304 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.350 -8.240 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.660 -9.069 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.238 -7.444 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.062 -9.214 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.683 -8.480 -0.733 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.895 -12.131 0.302 1.00 0.00 N ATOM 1294 CA PRO A 114 -9.170 -13.565 0.177 1.00 0.00 C ATOM 1295 C PRO A 114 -8.220 -14.413 1.016 1.00 0.00 C ATOM 1296 O PRO A 114 -7.030 -14.507 0.720 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.956 -13.839 -1.314 1.00 0.00 C ATOM 1298 CG PRO A 114 -8.013 -12.776 -1.762 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.334 -11.562 -0.935 1.00 0.00 C ATOM 0 HA PRO A 114 -10.168 -13.821 0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.540 -14.833 -1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.896 -13.792 -1.864 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.978 -13.085 -1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -8.136 -12.568 -2.825 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.444 -10.965 -0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -9.049 -10.911 -1.438 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.755 -15.029 2.066 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.941 -15.861 2.932 1.00 0.00 C ATOM 1309 C GLY A 115 -7.517 -15.141 4.197 1.00 0.00 C ATOM 1310 O GLY A 115 -6.588 -15.570 4.882 1.00 0.00 O ATOM 0 H GLY A 115 -9.738 -14.966 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.500 -16.758 3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.054 -16.187 2.389 1.00 0.00 H new ATOM 1314 N MET A 116 -8.197 -14.042 4.507 1.00 0.00 N ATOM 1315 CA MET A 116 -7.885 -13.261 5.698 1.00 0.00 C ATOM 1316 C MET A 116 -9.116 -13.105 6.584 1.00 0.00 C ATOM 1317 O MET A 116 -10.103 -12.486 6.188 1.00 0.00 O ATOM 1318 CB MET A 116 -7.347 -11.884 5.304 1.00 0.00 C ATOM 1319 CG MET A 116 -5.870 -11.887 4.948 1.00 0.00 C ATOM 1320 SD MET A 116 -4.805 -11.900 6.403 1.00 0.00 S ATOM 1321 CE MET A 116 -4.565 -10.144 6.664 1.00 0.00 C ATOM 0 H MET A 116 -8.967 -13.672 3.950 1.00 0.00 H new ATOM 0 HA MET A 116 -7.120 -13.794 6.262 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.917 -11.511 4.453 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.512 -11.189 6.128 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.650 -12.760 4.334 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.644 -11.008 4.345 1.00 0.00 H new ATOM 0 HE1 MET A 116 -3.545 -9.872 6.392 1.00 0.00 H new ATOM 0 HE2 MET A 116 -5.267 -9.585 6.046 1.00 0.00 H new ATOM 0 HE3 MET A 116 -4.736 -9.905 7.714 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.051 -13.670 7.785 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.162 -13.594 8.727 1.00 0.00 C ATOM 1333 C ASN A 117 -10.467 -12.144 9.092 1.00 0.00 C ATOM 1334 O ASN A 117 -11.622 -11.779 9.315 1.00 0.00 O ATOM 1335 CB ASN A 117 -9.842 -14.393 9.992 1.00 0.00 C ATOM 1336 CG ASN A 117 -10.137 -15.872 9.831 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -10.114 -16.404 8.721 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -10.415 -16.544 10.942 1.00 0.00 N ATOM 0 H ASN A 117 -8.241 -14.185 8.129 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.042 -14.023 8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -8.790 -14.260 10.246 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.423 -13.998 10.825 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -10.621 -17.542 10.896 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -10.423 -16.062 11.841 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.425 -11.322 9.151 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.581 -9.913 9.489 1.00 0.00 C ATOM 1347 C ARG A 118 -9.561 -9.047 8.233 1.00 0.00 C ATOM 1348 O ARG A 118 -8.981 -9.409 7.209 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.471 -9.470 10.445 1.00 0.00 C ATOM 1350 CG ARG A 118 -8.510 -10.174 11.791 1.00 0.00 C ATOM 1351 CD ARG A 118 -7.222 -9.958 12.570 1.00 0.00 C ATOM 1352 NE ARG A 118 -7.234 -10.656 13.852 1.00 0.00 N ATOM 1353 CZ ARG A 118 -6.464 -10.319 14.881 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -5.625 -9.298 14.778 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -6.532 -11.004 16.015 1.00 0.00 N ATOM 0 H ARG A 118 -8.463 -11.608 8.969 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.546 -9.788 9.980 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.504 -9.654 9.976 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.548 -8.395 10.605 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.354 -9.804 12.372 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.671 -11.241 11.640 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -6.377 -10.305 11.976 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.075 -8.891 12.739 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.869 -11.446 13.964 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.570 -8.769 13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -5.035 -9.041 15.569 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.176 -11.791 16.098 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.940 -10.744 16.804 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.209 -7.875 8.311 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.280 -6.933 7.190 1.00 0.00 C ATOM 1371 C PRO A 119 -8.933 -6.281 6.895 1.00 0.00 C ATOM 1372 O PRO A 119 -7.952 -6.514 7.601 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.288 -5.886 7.671 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.216 -5.945 9.157 1.00 0.00 C ATOM 1375 CD PRO A 119 -10.921 -7.379 9.501 1.00 0.00 C ATOM 0 HA PRO A 119 -10.567 -7.425 6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.034 -4.893 7.302 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.293 -6.111 7.314 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.436 -5.284 9.536 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.155 -5.621 9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.308 -7.459 10.399 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -11.834 -7.944 9.687 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.894 -5.462 5.849 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.668 -4.776 5.462 1.00 0.00 C ATOM 1385 C ILE A 120 -7.569 -3.410 6.133 1.00 0.00 C ATOM 1386 O ILE A 120 -8.543 -2.660 6.182 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.583 -4.593 3.935 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.416 -3.672 3.574 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.892 -4.036 3.395 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.043 -3.714 2.109 1.00 0.00 C ATOM 0 H ILE A 120 -9.697 -5.258 5.255 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.838 -5.402 5.791 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.408 -5.566 3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.674 -2.648 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.547 -3.950 4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.817 -3.912 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.704 -4.726 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.095 -3.070 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.209 -3.037 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -5.753 -4.729 1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.898 -3.407 1.507 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.384 -3.093 6.646 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.157 -1.817 7.312 1.00 0.00 C ATOM 1404 C GLN A 121 -5.223 -0.933 6.492 1.00 0.00 C ATOM 1405 O GLN A 121 -4.078 -1.301 6.227 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.571 -2.043 8.707 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.565 -2.629 9.697 1.00 0.00 C ATOM 1408 CD GLN A 121 -5.970 -2.818 11.078 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -5.964 -1.898 11.896 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -5.467 -4.017 11.347 1.00 0.00 N ATOM 0 H GLN A 121 -5.567 -3.703 6.613 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.117 -1.310 7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.713 -2.711 8.628 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.201 -1.094 9.095 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.433 -1.973 9.766 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.920 -3.590 9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.493 -4.751 10.639 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.055 -4.204 12.261 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.718 0.234 6.094 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.927 1.171 5.304 1.00 0.00 C ATOM 1421 C VAL A 122 -4.966 2.569 5.910 1.00 0.00 C ATOM 1422 O VAL A 122 -6.020 3.203 5.970 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.427 1.239 3.849 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.517 2.128 3.014 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.518 -0.156 3.251 1.00 0.00 C ATOM 0 H VAL A 122 -6.663 0.554 6.305 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.901 0.804 5.310 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.426 1.676 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.885 2.165 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.508 3.134 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.505 1.723 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.873 -0.089 2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.533 -0.623 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.213 -0.758 3.836 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.810 3.047 6.358 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.710 4.372 6.958 1.00 0.00 C ATOM 1437 C LYS A 123 -2.718 5.242 6.192 1.00 0.00 C ATOM 1438 O LYS A 123 -1.733 4.758 5.634 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.282 4.260 8.423 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.016 3.446 8.626 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.012 2.748 9.976 1.00 0.00 C ATOM 1442 CE LYS A 123 -1.866 3.742 11.117 1.00 0.00 C ATOM 1443 NZ LYS A 123 -1.622 3.061 12.419 1.00 0.00 N ATOM 0 H LYS A 123 -2.928 2.536 6.317 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.692 4.842 6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.129 5.261 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.091 3.807 8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.928 2.705 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.147 4.099 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.937 2.185 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.194 2.028 10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.041 4.422 10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -2.769 4.348 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.528 3.773 13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -2.420 2.431 12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.747 2.503 12.360 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.980 6.557 6.166 1.00 0.00 N ATOM 1458 CA PRO A 124 -2.120 7.522 5.475 1.00 0.00 C ATOM 1459 C PRO A 124 -0.776 7.704 6.171 1.00 0.00 C ATOM 1460 O PRO A 124 -0.615 8.592 7.008 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.930 8.820 5.527 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.811 8.668 6.719 1.00 0.00 C ATOM 1463 CD PRO A 124 -4.136 7.203 6.811 1.00 0.00 C ATOM 0 HA PRO A 124 -1.874 7.197 4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -2.279 9.689 5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.515 8.959 4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -3.308 9.013 7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.718 9.263 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.251 6.881 7.846 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -5.068 6.965 6.298 1.00 0.00 H new ATOM 1471 N ALA A 125 0.187 6.858 5.819 1.00 0.00 N ATOM 1472 CA ALA A 125 1.518 6.928 6.409 1.00 0.00 C ATOM 1473 C ALA A 125 2.048 8.358 6.400 1.00 0.00 C ATOM 1474 O ALA A 125 2.430 8.882 5.355 1.00 0.00 O ATOM 1475 CB ALA A 125 2.473 6.005 5.667 1.00 0.00 C ATOM 0 H ALA A 125 0.070 6.117 5.128 1.00 0.00 H new ATOM 0 HA ALA A 125 1.446 6.601 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.463 6.067 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.110 4.979 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.531 6.306 4.621 1.00 0.00 H new