USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 676 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 62 SER OG : rot 110:sc= -0.25 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -0.425 K(o=-0.68,f=-9.3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.636 K(o=-0.64,f=-3.9!) USER MOD Single : A 25 TYR OH : rot -30:sc= -0.0272 USER MOD Single : A 26 THR OG1 : rot -23:sc= 0.0965 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc=-0.00373 USER MOD Single : A 36 THR OG1 : rot -78:sc= 0.671 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 42 CYS SG : rot 67:sc= 0.409 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0662) USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-2.6!,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= -0.106 (180deg=-0.782) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00954 X(o=-0.0095,f=0) USER MOD Single : A 66 ASN : amide:sc= -7.77! C(o=-7.8!,f=-12!) USER MOD Single : A 68 GLN : amide:sc= -11.9! C(o=-12!,f=-26!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0342) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -4.39! C(o=-4.4!,f=-10!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00299) USER MOD ----------------------------------------------------------------- ATOM 106 N LYS A 10 9.815 5.661 12.375 1.00 0.00 N ATOM 107 CA LYS A 10 8.410 5.505 12.731 1.00 0.00 C ATOM 108 C LYS A 10 7.807 4.283 12.045 1.00 0.00 C ATOM 109 O LYS A 10 8.412 3.705 11.141 1.00 0.00 O ATOM 110 CB LYS A 10 7.623 6.760 12.346 1.00 0.00 C ATOM 111 CG LYS A 10 6.407 7.007 13.223 1.00 0.00 C ATOM 112 CD LYS A 10 5.761 8.348 12.914 1.00 0.00 C ATOM 113 CE LYS A 10 6.573 9.502 13.481 1.00 0.00 C ATOM 114 NZ LYS A 10 6.195 9.807 14.889 1.00 0.00 N ATOM 0 HA LYS A 10 8.348 5.361 13.810 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.284 7.625 12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.301 6.673 11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.680 6.209 13.073 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.701 6.977 14.272 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.664 8.466 11.835 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.754 8.372 13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.634 9.257 13.435 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.424 10.389 12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.771 10.599 15.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.189 10.066 14.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.361 8.969 15.482 1.00 0.00 H new ATOM 128 N LEU A 11 6.613 3.896 12.479 1.00 0.00 N ATOM 129 CA LEU A 11 5.927 2.743 11.905 1.00 0.00 C ATOM 130 C LEU A 11 4.487 3.091 11.543 1.00 0.00 C ATOM 131 O LEU A 11 3.784 3.746 12.312 1.00 0.00 O ATOM 132 CB LEU A 11 5.950 1.571 12.887 1.00 0.00 C ATOM 133 CG LEU A 11 7.322 1.186 13.441 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.174 0.246 14.628 1.00 0.00 C ATOM 135 CD2 LEU A 11 8.176 0.548 12.356 1.00 0.00 C ATOM 0 H LEU A 11 6.099 4.363 13.226 1.00 0.00 H new ATOM 0 HA LEU A 11 6.451 2.455 10.994 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.297 1.813 13.725 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.523 0.699 12.391 1.00 0.00 H new ATOM 0 HG LEU A 11 7.822 2.093 13.782 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.161 -0.017 15.009 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.601 0.739 15.414 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.654 -0.659 14.313 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.149 0.281 12.769 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.681 -0.349 11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.311 1.254 11.537 1.00 0.00 H new ATOM 147 N VAL A 12 4.053 2.646 10.368 1.00 0.00 N ATOM 148 CA VAL A 12 2.695 2.907 9.906 1.00 0.00 C ATOM 149 C VAL A 12 1.985 1.612 9.527 1.00 0.00 C ATOM 150 O VAL A 12 2.577 0.725 8.911 1.00 0.00 O ATOM 151 CB VAL A 12 2.688 3.858 8.694 1.00 0.00 C ATOM 152 CG1 VAL A 12 3.422 5.149 9.024 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.304 3.179 7.481 1.00 0.00 C ATOM 0 H VAL A 12 4.622 2.103 9.719 1.00 0.00 H new ATOM 0 HA VAL A 12 2.164 3.380 10.732 1.00 0.00 H new ATOM 0 HB VAL A 12 1.654 4.107 8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.407 5.808 8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.931 5.642 9.863 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.455 4.923 9.290 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.291 3.865 6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.333 2.898 7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.730 2.286 7.233 1.00 0.00 H new ATOM 163 N ARG A 13 0.713 1.510 9.898 1.00 0.00 N ATOM 164 CA ARG A 13 -0.078 0.323 9.597 1.00 0.00 C ATOM 165 C ARG A 13 -0.921 0.535 8.343 1.00 0.00 C ATOM 166 O ARG A 13 -1.809 1.388 8.317 1.00 0.00 O ATOM 167 CB ARG A 13 -0.983 -0.026 10.780 1.00 0.00 C ATOM 168 CG ARG A 13 -0.274 -0.795 11.883 1.00 0.00 C ATOM 169 CD ARG A 13 0.383 0.143 12.883 1.00 0.00 C ATOM 170 NE ARG A 13 -0.596 0.977 13.576 1.00 0.00 N ATOM 171 CZ ARG A 13 -0.326 1.660 14.682 1.00 0.00 C ATOM 172 NH1 ARG A 13 0.885 1.609 15.219 1.00 0.00 N ATOM 173 NH2 ARG A 13 -1.270 2.397 15.255 1.00 0.00 N ATOM 0 H ARG A 13 0.208 2.235 10.408 1.00 0.00 H new ATOM 0 HA ARG A 13 0.608 -0.504 9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.394 0.894 11.196 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.825 -0.617 10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.989 -1.435 12.399 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.481 -1.448 11.445 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.944 -0.441 13.613 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.100 0.780 12.365 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.538 1.038 13.189 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.613 1.044 14.782 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.089 2.135 16.069 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.203 2.439 14.846 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.062 2.922 16.105 1.00 0.00 H new ATOM 187 N ILE A 14 -0.636 -0.246 7.306 1.00 0.00 N ATOM 188 CA ILE A 14 -1.368 -0.144 6.050 1.00 0.00 C ATOM 189 C ILE A 14 -2.324 -1.318 5.874 1.00 0.00 C ATOM 190 O ILE A 14 -1.905 -2.431 5.553 1.00 0.00 O ATOM 191 CB ILE A 14 -0.412 -0.089 4.844 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.542 1.099 4.975 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.201 -0.001 3.546 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.159 2.410 5.256 1.00 0.00 C ATOM 0 H ILE A 14 0.096 -0.956 7.311 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.940 0.783 6.092 1.00 0.00 H new ATOM 0 HB ILE A 14 0.179 -1.005 4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.252 0.897 5.777 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.118 1.195 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.511 0.037 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.843 -0.877 3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.815 0.900 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.580 3.208 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.849 2.635 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.713 2.333 6.191 1.00 0.00 H new ATOM 206 N TYR A 15 -3.611 -1.063 6.083 1.00 0.00 N ATOM 207 CA TYR A 15 -4.628 -2.100 5.948 1.00 0.00 C ATOM 208 C TYR A 15 -4.777 -2.530 4.492 1.00 0.00 C ATOM 209 O TYR A 15 -5.358 -1.813 3.677 1.00 0.00 O ATOM 210 CB TYR A 15 -5.970 -1.600 6.485 1.00 0.00 C ATOM 211 CG TYR A 15 -5.929 -1.201 7.943 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.555 -2.113 8.922 1.00 0.00 C ATOM 213 CD2 TYR A 15 -6.265 0.087 8.341 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.516 -1.753 10.256 1.00 0.00 C ATOM 215 CE2 TYR A 15 -6.228 0.455 9.672 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.854 -0.468 10.625 1.00 0.00 C ATOM 217 OH TYR A 15 -5.817 -0.105 11.952 1.00 0.00 O ATOM 0 H TYR A 15 -3.975 -0.147 6.347 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.310 -2.964 6.532 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.293 -0.744 5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.719 -2.381 6.352 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.290 -3.120 8.636 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.560 0.813 7.597 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.223 -2.474 11.005 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.491 1.461 9.964 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.082 0.834 12.042 1.00 0.00 H new ATOM 227 N THR A 16 -4.249 -3.707 4.173 1.00 0.00 N ATOM 228 CA THR A 16 -4.322 -4.235 2.816 1.00 0.00 C ATOM 229 C THR A 16 -5.706 -4.802 2.520 1.00 0.00 C ATOM 230 O THR A 16 -6.210 -5.652 3.255 1.00 0.00 O ATOM 231 CB THR A 16 -3.269 -5.334 2.583 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.446 -5.916 1.287 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.370 -6.415 3.648 1.00 0.00 C ATOM 0 H THR A 16 -3.766 -4.313 4.836 1.00 0.00 H new ATOM 0 HA THR A 16 -4.122 -3.402 2.142 1.00 0.00 H new ATOM 0 HB THR A 16 -2.281 -4.878 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.771 -6.613 1.146 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.616 -7.180 3.462 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.205 -5.974 4.631 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.361 -6.867 3.615 1.00 0.00 H new ATOM 241 N LYS A 17 -6.316 -4.327 1.440 1.00 0.00 N ATOM 242 CA LYS A 17 -7.642 -4.788 1.045 1.00 0.00 C ATOM 243 C LYS A 17 -7.571 -5.620 -0.231 1.00 0.00 C ATOM 244 O LYS A 17 -7.283 -5.114 -1.316 1.00 0.00 O ATOM 245 CB LYS A 17 -8.578 -3.595 0.837 1.00 0.00 C ATOM 246 CG LYS A 17 -10.051 -3.954 0.931 1.00 0.00 C ATOM 247 CD LYS A 17 -10.932 -2.836 0.400 1.00 0.00 C ATOM 248 CE LYS A 17 -12.309 -2.858 1.046 1.00 0.00 C ATOM 249 NZ LYS A 17 -13.220 -3.827 0.376 1.00 0.00 N ATOM 0 H LYS A 17 -5.913 -3.623 0.822 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.035 -5.415 1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.351 -2.831 1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.381 -3.156 -0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.241 -4.867 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.310 -4.161 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.455 -1.874 0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.034 -2.934 -0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.212 -3.120 2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.746 -1.860 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.148 -3.812 0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.333 -3.563 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.816 -4.783 0.438 1.00 0.00 H new ATOM 263 N PRO A 18 -7.841 -6.927 -0.102 1.00 0.00 N ATOM 264 CA PRO A 18 -7.815 -7.857 -1.235 1.00 0.00 C ATOM 265 C PRO A 18 -8.965 -7.616 -2.208 1.00 0.00 C ATOM 266 O PRO A 18 -9.871 -6.830 -1.932 1.00 0.00 O ATOM 267 CB PRO A 18 -7.956 -9.229 -0.572 1.00 0.00 C ATOM 268 CG PRO A 18 -8.656 -8.958 0.715 1.00 0.00 C ATOM 269 CD PRO A 18 -8.192 -7.599 1.160 1.00 0.00 C ATOM 0 HA PRO A 18 -6.909 -7.748 -1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.529 -9.914 -1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.982 -9.689 -0.404 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.738 -8.977 0.582 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.413 -9.717 1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.975 -7.063 1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.335 -7.667 1.831 1.00 0.00 H new ATOM 277 N LYS A 19 -8.921 -8.297 -3.348 1.00 0.00 N ATOM 278 CA LYS A 19 -9.960 -8.159 -4.363 1.00 0.00 C ATOM 279 C LYS A 19 -11.121 -9.108 -4.085 1.00 0.00 C ATOM 280 O LYS A 19 -11.800 -9.559 -5.006 1.00 0.00 O ATOM 281 CB LYS A 19 -9.383 -8.435 -5.753 1.00 0.00 C ATOM 282 CG LYS A 19 -8.803 -9.830 -5.905 1.00 0.00 C ATOM 283 CD LYS A 19 -9.850 -10.820 -6.388 1.00 0.00 C ATOM 284 CE LYS A 19 -9.222 -11.944 -7.198 1.00 0.00 C ATOM 285 NZ LYS A 19 -8.363 -12.822 -6.355 1.00 0.00 N ATOM 0 H LYS A 19 -8.177 -8.950 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.334 -7.136 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.167 -8.294 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.605 -7.702 -5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.972 -9.805 -6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.399 -10.163 -4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.379 -11.239 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.590 -10.301 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.008 -12.541 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.626 -11.520 -8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.953 -13.575 -6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.598 -12.258 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.937 -13.247 -5.599 1.00 0.00 H new ATOM 299 N GLY A 20 -11.345 -9.405 -2.808 1.00 0.00 N ATOM 300 CA GLY A 20 -12.426 -10.297 -2.433 1.00 0.00 C ATOM 301 C GLY A 20 -12.726 -10.251 -0.948 1.00 0.00 C ATOM 302 O GLY A 20 -13.735 -9.683 -0.530 1.00 0.00 O ATOM 0 H GLY A 20 -10.797 -9.044 -2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.324 -10.030 -2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.167 -11.317 -2.717 1.00 0.00 H new ATOM 306 N GLN A 21 -11.850 -10.852 -0.149 1.00 0.00 N ATOM 307 CA GLN A 21 -12.029 -10.879 1.298 1.00 0.00 C ATOM 308 C GLN A 21 -12.010 -9.467 1.874 1.00 0.00 C ATOM 309 O GLN A 21 -11.838 -8.490 1.145 1.00 0.00 O ATOM 310 CB GLN A 21 -10.935 -11.724 1.952 1.00 0.00 C ATOM 311 CG GLN A 21 -11.229 -13.216 1.939 1.00 0.00 C ATOM 312 CD GLN A 21 -12.287 -13.611 2.950 1.00 0.00 C ATOM 313 OE1 GLN A 21 -13.399 -13.082 2.942 1.00 0.00 O ATOM 314 NE2 GLN A 21 -11.947 -14.546 3.829 1.00 0.00 N ATOM 0 H GLN A 21 -11.010 -11.327 -0.479 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.000 -11.326 1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.991 -11.544 1.437 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.803 -11.397 2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.557 -13.509 0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.311 -13.765 2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.014 -14.958 3.800 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.618 -14.852 4.533 1.00 0.00 H new ATOM 323 N LEU A 22 -12.190 -9.368 3.187 1.00 0.00 N ATOM 324 CA LEU A 22 -12.194 -8.075 3.863 1.00 0.00 C ATOM 325 C LEU A 22 -10.787 -7.687 4.305 1.00 0.00 C ATOM 326 O LEU A 22 -9.947 -8.536 4.603 1.00 0.00 O ATOM 327 CB LEU A 22 -13.129 -8.113 5.073 1.00 0.00 C ATOM 328 CG LEU A 22 -12.493 -8.532 6.399 1.00 0.00 C ATOM 329 CD1 LEU A 22 -11.771 -7.357 7.040 1.00 0.00 C ATOM 330 CD2 LEU A 22 -13.548 -9.091 7.343 1.00 0.00 C ATOM 0 H LEU A 22 -12.335 -10.167 3.804 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.553 -7.325 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.567 -7.123 5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.948 -8.798 4.853 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.762 -9.315 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.325 -7.674 7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.989 -7.001 6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.481 -6.552 7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.078 -9.384 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.303 -8.329 7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.020 -9.961 6.887 1.00 0.00 H new ATOM 342 N PRO A 23 -10.522 -6.373 4.351 1.00 0.00 N ATOM 343 CA PRO A 23 -9.218 -5.842 4.759 1.00 0.00 C ATOM 344 C PRO A 23 -8.947 -6.048 6.245 1.00 0.00 C ATOM 345 O PRO A 23 -9.672 -5.531 7.095 1.00 0.00 O ATOM 346 CB PRO A 23 -9.326 -4.349 4.437 1.00 0.00 C ATOM 347 CG PRO A 23 -10.786 -4.056 4.487 1.00 0.00 C ATOM 348 CD PRO A 23 -11.476 -5.304 4.009 1.00 0.00 C ATOM 0 HA PRO A 23 -8.396 -6.344 4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.776 -3.747 5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.910 -4.125 3.455 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.098 -3.801 5.500 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.035 -3.205 3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.436 -5.448 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.673 -5.269 2.938 1.00 0.00 H new ATOM 356 N ASP A 24 -7.899 -6.805 6.551 1.00 0.00 N ATOM 357 CA ASP A 24 -7.532 -7.079 7.935 1.00 0.00 C ATOM 358 C ASP A 24 -7.231 -5.784 8.683 1.00 0.00 C ATOM 359 O ASP A 24 -6.458 -4.948 8.213 1.00 0.00 O ATOM 360 CB ASP A 24 -6.318 -8.008 7.989 1.00 0.00 C ATOM 361 CG ASP A 24 -6.386 -9.111 6.952 1.00 0.00 C ATOM 362 OD1 ASP A 24 -7.317 -9.940 7.028 1.00 0.00 O ATOM 363 OD2 ASP A 24 -5.509 -9.146 6.063 1.00 0.00 O ATOM 0 H ASP A 24 -7.289 -7.240 5.859 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.376 -7.570 8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.410 -7.424 7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.247 -8.451 8.982 1.00 0.00 H new ATOM 368 N TYR A 25 -7.846 -5.624 9.849 1.00 0.00 N ATOM 369 CA TYR A 25 -7.647 -4.429 10.661 1.00 0.00 C ATOM 370 C TYR A 25 -6.936 -4.770 11.967 1.00 0.00 C ATOM 371 O TYR A 25 -6.750 -3.911 12.830 1.00 0.00 O ATOM 372 CB TYR A 25 -8.989 -3.759 10.958 1.00 0.00 C ATOM 373 CG TYR A 25 -9.646 -3.153 9.738 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.277 -1.895 9.278 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.638 -3.838 9.047 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.875 -1.338 8.165 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.240 -3.289 7.932 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.856 -2.039 7.495 1.00 0.00 C ATOM 379 OH TYR A 25 -11.455 -1.488 6.385 1.00 0.00 O ATOM 0 H TYR A 25 -8.487 -6.307 10.254 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.021 -3.738 10.097 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.664 -4.494 11.396 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.839 -2.979 11.705 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.509 -1.343 9.800 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.943 -4.816 9.388 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.576 -0.359 7.821 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.008 -3.836 7.405 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.464 -0.512 6.469 1.00 0.00 H new ATOM 389 N THR A 26 -6.539 -6.031 12.106 1.00 0.00 N ATOM 390 CA THR A 26 -5.849 -6.488 13.306 1.00 0.00 C ATOM 391 C THR A 26 -4.483 -7.072 12.965 1.00 0.00 C ATOM 392 O THR A 26 -3.626 -7.219 13.837 1.00 0.00 O ATOM 393 CB THR A 26 -6.675 -7.548 14.059 1.00 0.00 C ATOM 394 OG1 THR A 26 -6.045 -7.864 15.305 1.00 0.00 O ATOM 395 CG2 THR A 26 -6.824 -8.811 13.225 1.00 0.00 C ATOM 0 H THR A 26 -6.684 -6.755 11.402 1.00 0.00 H new ATOM 0 HA THR A 26 -5.719 -5.617 13.948 1.00 0.00 H new ATOM 0 HB THR A 26 -7.667 -7.138 14.247 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.090 -7.650 15.252 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.411 -9.545 13.778 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.330 -8.572 12.290 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.838 -9.223 13.009 1.00 0.00 H new ATOM 403 N SER A 27 -4.286 -7.402 11.693 1.00 0.00 N ATOM 404 CA SER A 27 -3.024 -7.974 11.238 1.00 0.00 C ATOM 405 C SER A 27 -2.507 -7.238 10.005 1.00 0.00 C ATOM 406 O SER A 27 -2.153 -7.843 8.993 1.00 0.00 O ATOM 407 CB SER A 27 -3.196 -9.461 10.924 1.00 0.00 C ATOM 408 OG SER A 27 -1.967 -10.154 11.047 1.00 0.00 O ATOM 0 H SER A 27 -4.984 -7.283 10.959 1.00 0.00 H new ATOM 0 HA SER A 27 -2.294 -7.862 12.039 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.931 -9.896 11.601 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.584 -9.580 9.912 1.00 0.00 H new ATOM 0 HG SER A 27 -2.104 -11.103 10.843 1.00 0.00 H new ATOM 414 N PRO A 28 -2.463 -5.900 10.091 1.00 0.00 N ATOM 415 CA PRO A 28 -1.992 -5.052 8.992 1.00 0.00 C ATOM 416 C PRO A 28 -0.490 -5.184 8.761 1.00 0.00 C ATOM 417 O PRO A 28 0.207 -5.863 9.516 1.00 0.00 O ATOM 418 CB PRO A 28 -2.337 -3.637 9.463 1.00 0.00 C ATOM 419 CG PRO A 28 -2.371 -3.730 10.950 1.00 0.00 C ATOM 420 CD PRO A 28 -2.870 -5.113 11.267 1.00 0.00 C ATOM 0 HA PRO A 28 -2.451 -5.324 8.042 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.591 -2.916 9.128 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.298 -3.310 9.065 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.380 -3.566 11.374 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.029 -2.971 11.374 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.425 -5.501 12.183 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.951 -5.128 11.406 1.00 0.00 H new ATOM 428 N VAL A 29 0.002 -4.532 7.713 1.00 0.00 N ATOM 429 CA VAL A 29 1.422 -4.576 7.383 1.00 0.00 C ATOM 430 C VAL A 29 2.155 -3.364 7.948 1.00 0.00 C ATOM 431 O VAL A 29 1.859 -2.224 7.590 1.00 0.00 O ATOM 432 CB VAL A 29 1.643 -4.631 5.860 1.00 0.00 C ATOM 433 CG1 VAL A 29 1.100 -3.376 5.195 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.119 -4.817 5.542 1.00 0.00 C ATOM 0 H VAL A 29 -0.561 -3.967 7.078 1.00 0.00 H new ATOM 0 HA VAL A 29 1.824 -5.483 7.834 1.00 0.00 H new ATOM 0 HB VAL A 29 1.098 -5.488 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.266 -3.434 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.032 -3.292 5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.613 -2.501 5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.257 -4.854 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.688 -3.982 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.472 -5.749 5.984 1.00 0.00 H new ATOM 444 N VAL A 30 3.114 -3.619 8.832 1.00 0.00 N ATOM 445 CA VAL A 30 3.891 -2.549 9.446 1.00 0.00 C ATOM 446 C VAL A 30 5.157 -2.261 8.647 1.00 0.00 C ATOM 447 O VAL A 30 6.163 -2.960 8.782 1.00 0.00 O ATOM 448 CB VAL A 30 4.281 -2.899 10.895 1.00 0.00 C ATOM 449 CG1 VAL A 30 4.705 -1.649 11.651 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.128 -3.595 11.603 1.00 0.00 C ATOM 0 H VAL A 30 3.371 -4.557 9.139 1.00 0.00 H new ATOM 0 HA VAL A 30 3.258 -1.662 9.452 1.00 0.00 H new ATOM 0 HB VAL A 30 5.129 -3.584 10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.977 -1.916 12.672 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.563 -1.197 11.154 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.880 -0.937 11.669 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.420 -3.835 12.625 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.260 -2.936 11.619 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.876 -4.513 11.072 1.00 0.00 H new ATOM 460 N LEU A 31 5.101 -1.229 7.813 1.00 0.00 N ATOM 461 CA LEU A 31 6.244 -0.847 6.991 1.00 0.00 C ATOM 462 C LEU A 31 7.055 0.256 7.664 1.00 0.00 C ATOM 463 O LEU A 31 6.525 1.091 8.397 1.00 0.00 O ATOM 464 CB LEU A 31 5.772 -0.379 5.613 1.00 0.00 C ATOM 465 CG LEU A 31 5.082 -1.434 4.746 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.321 -0.774 3.607 1.00 0.00 C ATOM 467 CD2 LEU A 31 6.099 -2.428 4.205 1.00 0.00 C ATOM 0 H LEU A 31 4.277 -0.642 7.688 1.00 0.00 H new ATOM 0 HA LEU A 31 6.883 -1.722 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.085 0.456 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.634 0.004 5.067 1.00 0.00 H new ATOM 0 HG LEU A 31 4.368 -1.976 5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.837 -1.540 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.565 -0.103 4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.015 -0.206 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.590 -3.171 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.837 -1.901 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.599 -2.925 5.036 1.00 0.00 H new ATOM 479 N PRO A 32 8.372 0.262 7.408 1.00 0.00 N ATOM 480 CA PRO A 32 9.284 1.259 7.978 1.00 0.00 C ATOM 481 C PRO A 32 9.064 2.649 7.390 1.00 0.00 C ATOM 482 O PRO A 32 9.041 2.821 6.171 1.00 0.00 O ATOM 483 CB PRO A 32 10.669 0.730 7.597 1.00 0.00 C ATOM 484 CG PRO A 32 10.438 -0.096 6.379 1.00 0.00 C ATOM 485 CD PRO A 32 9.072 -0.702 6.544 1.00 0.00 C ATOM 0 HA PRO A 32 9.139 1.379 9.052 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.363 1.546 7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.101 0.136 8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.488 0.515 5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.199 -0.870 6.282 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.567 -0.822 5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.123 -1.689 7.003 1.00 0.00 H new ATOM 493 N TYR A 33 8.903 3.636 8.264 1.00 0.00 N ATOM 494 CA TYR A 33 8.682 5.011 7.831 1.00 0.00 C ATOM 495 C TYR A 33 9.670 5.402 6.736 1.00 0.00 C ATOM 496 O TYR A 33 9.276 5.725 5.615 1.00 0.00 O ATOM 497 CB TYR A 33 8.813 5.969 9.016 1.00 0.00 C ATOM 498 CG TYR A 33 8.153 7.309 8.788 1.00 0.00 C ATOM 499 CD1 TYR A 33 6.775 7.454 8.893 1.00 0.00 C ATOM 500 CD2 TYR A 33 8.906 8.431 8.465 1.00 0.00 C ATOM 501 CE1 TYR A 33 6.167 8.677 8.684 1.00 0.00 C ATOM 502 CE2 TYR A 33 8.307 9.658 8.256 1.00 0.00 C ATOM 503 CZ TYR A 33 6.938 9.776 8.367 1.00 0.00 C ATOM 504 OH TYR A 33 6.337 10.996 8.158 1.00 0.00 O ATOM 0 H TYR A 33 8.921 3.510 9.276 1.00 0.00 H new ATOM 0 HA TYR A 33 7.672 5.080 7.427 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.375 5.503 9.899 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.870 6.126 9.230 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.169 6.596 9.142 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.979 8.342 8.376 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.094 8.772 8.768 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.908 10.520 8.007 1.00 0.00 H new ATOM 0 HH TYR A 33 7.021 11.665 7.945 1.00 0.00 H new ATOM 514 N SER A 34 10.956 5.371 7.069 1.00 0.00 N ATOM 515 CA SER A 34 12.002 5.725 6.117 1.00 0.00 C ATOM 516 C SER A 34 11.638 5.256 4.711 1.00 0.00 C ATOM 517 O SER A 34 11.931 5.932 3.724 1.00 0.00 O ATOM 518 CB SER A 34 13.337 5.110 6.541 1.00 0.00 C ATOM 519 OG SER A 34 13.328 3.703 6.373 1.00 0.00 O ATOM 0 H SER A 34 11.299 5.104 7.992 1.00 0.00 H new ATOM 0 HA SER A 34 12.097 6.811 6.107 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.144 5.544 5.951 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.538 5.353 7.584 1.00 0.00 H new ATOM 0 HG SER A 34 14.193 3.335 6.649 1.00 0.00 H new ATOM 525 N ARG A 35 10.997 4.095 4.629 1.00 0.00 N ATOM 526 CA ARG A 35 10.593 3.535 3.345 1.00 0.00 C ATOM 527 C ARG A 35 9.098 3.230 3.331 1.00 0.00 C ATOM 528 O ARG A 35 8.674 2.128 3.683 1.00 0.00 O ATOM 529 CB ARG A 35 11.387 2.261 3.048 1.00 0.00 C ATOM 530 CG ARG A 35 12.855 2.516 2.745 1.00 0.00 C ATOM 531 CD ARG A 35 13.083 2.763 1.262 1.00 0.00 C ATOM 532 NE ARG A 35 14.367 3.411 1.007 1.00 0.00 N ATOM 533 CZ ARG A 35 14.745 3.846 -0.190 1.00 0.00 C ATOM 534 NH1 ARG A 35 13.943 3.703 -1.235 1.00 0.00 N ATOM 535 NH2 ARG A 35 15.929 4.426 -0.342 1.00 0.00 N ATOM 0 H ARG A 35 10.746 3.524 5.436 1.00 0.00 H new ATOM 0 HA ARG A 35 10.803 4.275 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.312 1.589 3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.933 1.749 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.201 3.378 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.448 1.660 3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.043 1.815 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.279 3.385 0.870 1.00 0.00 H new ATOM 0 HE ARG A 35 15.008 3.536 1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.032 3.258 -1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.236 4.038 -2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.549 4.538 0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.219 4.760 -1.261 1.00 0.00 H new ATOM 549 N THR A 36 8.302 4.213 2.922 1.00 0.00 N ATOM 550 CA THR A 36 6.855 4.051 2.864 1.00 0.00 C ATOM 551 C THR A 36 6.300 4.534 1.529 1.00 0.00 C ATOM 552 O THR A 36 6.339 5.727 1.223 1.00 0.00 O ATOM 553 CB THR A 36 6.157 4.817 4.004 1.00 0.00 C ATOM 554 OG1 THR A 36 6.759 6.106 4.168 1.00 0.00 O ATOM 555 CG2 THR A 36 6.245 4.042 5.310 1.00 0.00 C ATOM 0 H THR A 36 8.636 5.130 2.626 1.00 0.00 H new ATOM 0 HA THR A 36 6.653 2.986 2.975 1.00 0.00 H new ATOM 0 HB THR A 36 5.106 4.937 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.606 6.012 4.652 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.745 4.603 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.761 3.073 5.191 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.292 3.895 5.576 1.00 0.00 H new ATOM 563 N THR A 37 5.784 3.601 0.735 1.00 0.00 N ATOM 564 CA THR A 37 5.222 3.932 -0.568 1.00 0.00 C ATOM 565 C THR A 37 4.465 2.747 -1.158 1.00 0.00 C ATOM 566 O THR A 37 4.801 1.592 -0.898 1.00 0.00 O ATOM 567 CB THR A 37 6.318 4.370 -1.558 1.00 0.00 C ATOM 568 OG1 THR A 37 7.545 3.696 -1.259 1.00 0.00 O ATOM 569 CG2 THR A 37 6.532 5.875 -1.497 1.00 0.00 C ATOM 0 H THR A 37 5.744 2.610 0.972 1.00 0.00 H new ATOM 0 HA THR A 37 4.531 4.760 -0.412 1.00 0.00 H new ATOM 0 HB THR A 37 5.995 4.106 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.236 3.978 -1.893 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.310 6.161 -2.205 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.604 6.385 -1.753 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.836 6.159 -0.489 1.00 0.00 H new ATOM 577 N VAL A 38 3.441 3.041 -1.953 1.00 0.00 N ATOM 578 CA VAL A 38 2.638 1.999 -2.581 1.00 0.00 C ATOM 579 C VAL A 38 3.518 0.881 -3.128 1.00 0.00 C ATOM 580 O VAL A 38 3.187 -0.298 -3.006 1.00 0.00 O ATOM 581 CB VAL A 38 1.778 2.567 -3.726 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.061 1.446 -4.463 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.784 3.586 -3.190 1.00 0.00 C ATOM 0 H VAL A 38 3.148 3.992 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 38 1.982 1.596 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 38 2.435 3.072 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.459 1.867 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.795 0.757 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.415 0.909 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.185 3.977 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.131 3.108 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.323 4.404 -2.713 1.00 0.00 H new ATOM 593 N GLU A 39 4.641 1.260 -3.730 1.00 0.00 N ATOM 594 CA GLU A 39 5.569 0.287 -4.295 1.00 0.00 C ATOM 595 C GLU A 39 6.215 -0.552 -3.196 1.00 0.00 C ATOM 596 O GLU A 39 6.267 -1.778 -3.287 1.00 0.00 O ATOM 597 CB GLU A 39 6.651 0.997 -5.113 1.00 0.00 C ATOM 598 CG GLU A 39 7.486 1.972 -4.300 1.00 0.00 C ATOM 599 CD GLU A 39 8.487 2.731 -5.149 1.00 0.00 C ATOM 600 OE1 GLU A 39 8.861 2.218 -6.225 1.00 0.00 O ATOM 601 OE2 GLU A 39 8.896 3.837 -4.739 1.00 0.00 O ATOM 0 H GLU A 39 4.930 2.232 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 39 5.005 -0.377 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.309 0.249 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.179 1.534 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.826 2.682 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.017 1.427 -3.519 1.00 0.00 H new ATOM 608 N ASP A 40 6.707 0.119 -2.160 1.00 0.00 N ATOM 609 CA ASP A 40 7.349 -0.563 -1.043 1.00 0.00 C ATOM 610 C ASP A 40 6.425 -1.622 -0.449 1.00 0.00 C ATOM 611 O ASP A 40 6.883 -2.630 0.089 1.00 0.00 O ATOM 612 CB ASP A 40 7.751 0.444 0.035 1.00 0.00 C ATOM 613 CG ASP A 40 8.947 1.281 -0.372 1.00 0.00 C ATOM 614 OD1 ASP A 40 9.468 1.069 -1.487 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.364 2.148 0.425 1.00 0.00 O ATOM 0 H ASP A 40 6.673 1.135 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 40 8.245 -1.058 -1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.907 1.100 0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.981 -0.088 0.958 1.00 0.00 H new ATOM 620 N PHE A 41 5.121 -1.384 -0.548 1.00 0.00 N ATOM 621 CA PHE A 41 4.132 -2.316 -0.019 1.00 0.00 C ATOM 622 C PHE A 41 3.971 -3.521 -0.941 1.00 0.00 C ATOM 623 O PHE A 41 3.912 -4.663 -0.484 1.00 0.00 O ATOM 624 CB PHE A 41 2.784 -1.614 0.162 1.00 0.00 C ATOM 625 CG PHE A 41 1.636 -2.562 0.356 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.218 -3.385 -0.678 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.974 -2.630 1.571 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.161 -4.259 -0.503 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.083 -3.502 1.752 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.491 -4.317 0.713 1.00 0.00 C ATOM 0 H PHE A 41 4.725 -0.554 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 41 4.484 -2.668 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.843 -0.947 1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.587 -0.992 -0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.724 -3.343 -1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.287 -1.994 2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.154 -4.896 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.590 -3.546 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.318 -4.998 0.852 1.00 0.00 H new ATOM 640 N CYS A 42 3.900 -3.257 -2.241 1.00 0.00 N ATOM 641 CA CYS A 42 3.744 -4.319 -3.229 1.00 0.00 C ATOM 642 C CYS A 42 4.796 -5.405 -3.031 1.00 0.00 C ATOM 643 O CYS A 42 4.541 -6.583 -3.279 1.00 0.00 O ATOM 644 CB CYS A 42 3.844 -3.747 -4.644 1.00 0.00 C ATOM 645 SG CYS A 42 2.465 -2.672 -5.105 1.00 0.00 S ATOM 0 H CYS A 42 3.948 -2.318 -2.635 1.00 0.00 H new ATOM 0 HA CYS A 42 2.758 -4.765 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.774 -3.185 -4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.901 -4.572 -5.355 1.00 0.00 H new ATOM 0 HG CYS A 42 2.501 -1.589 -4.387 1.00 0.00 H new ATOM 651 N MET A 43 5.980 -4.999 -2.583 1.00 0.00 N ATOM 652 CA MET A 43 7.072 -5.938 -2.352 1.00 0.00 C ATOM 653 C MET A 43 6.730 -6.902 -1.220 1.00 0.00 C ATOM 654 O MET A 43 6.882 -8.116 -1.357 1.00 0.00 O ATOM 655 CB MET A 43 8.361 -5.184 -2.023 1.00 0.00 C ATOM 656 CG MET A 43 8.904 -4.372 -3.188 1.00 0.00 C ATOM 657 SD MET A 43 9.458 -5.406 -4.557 1.00 0.00 S ATOM 658 CE MET A 43 8.349 -4.869 -5.857 1.00 0.00 C ATOM 0 H MET A 43 6.207 -4.027 -2.373 1.00 0.00 H new ATOM 0 HA MET A 43 7.220 -6.515 -3.265 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.177 -4.517 -1.180 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.119 -5.899 -1.704 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.131 -3.690 -3.542 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.736 -3.758 -2.842 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.568 -5.419 -6.772 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.318 -5.058 -5.557 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.485 -3.802 -6.034 1.00 0.00 H new ATOM 668 N LYS A 44 6.268 -6.353 -0.102 1.00 0.00 N ATOM 669 CA LYS A 44 5.903 -7.163 1.054 1.00 0.00 C ATOM 670 C LYS A 44 5.075 -8.372 0.632 1.00 0.00 C ATOM 671 O LYS A 44 5.150 -9.434 1.250 1.00 0.00 O ATOM 672 CB LYS A 44 5.120 -6.323 2.065 1.00 0.00 C ATOM 673 CG LYS A 44 5.997 -5.420 2.916 1.00 0.00 C ATOM 674 CD LYS A 44 6.764 -6.212 3.961 1.00 0.00 C ATOM 675 CE LYS A 44 5.892 -6.537 5.164 1.00 0.00 C ATOM 676 NZ LYS A 44 6.582 -7.446 6.121 1.00 0.00 N ATOM 0 H LYS A 44 6.137 -5.350 0.028 1.00 0.00 H new ATOM 0 HA LYS A 44 6.821 -7.519 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.394 -5.711 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.556 -6.989 2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.699 -4.885 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.379 -4.670 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.135 -7.137 3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.635 -5.642 4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.618 -5.613 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.966 -7.001 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.954 -7.643 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.821 -8.338 5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.453 -6.993 6.464 1.00 0.00 H new ATOM 690 N ILE A 45 4.286 -8.204 -0.424 1.00 0.00 N ATOM 691 CA ILE A 45 3.446 -9.282 -0.929 1.00 0.00 C ATOM 692 C ILE A 45 4.177 -10.097 -1.991 1.00 0.00 C ATOM 693 O ILE A 45 4.503 -11.265 -1.776 1.00 0.00 O ATOM 694 CB ILE A 45 2.134 -8.741 -1.527 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.397 -7.879 -0.500 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.252 -9.889 -1.994 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.459 -8.430 0.907 1.00 0.00 C ATOM 0 H ILE A 45 4.211 -7.331 -0.946 1.00 0.00 H new ATOM 0 HA ILE A 45 3.211 -9.923 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 45 2.374 -8.119 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.823 -6.876 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.353 -7.785 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.328 -9.491 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.778 -10.466 -2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.017 -10.535 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.916 -7.768 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.007 -9.422 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.499 -8.498 1.226 1.00 0.00 H new ATOM 709 N HIS A 46 4.434 -9.473 -3.136 1.00 0.00 N ATOM 710 CA HIS A 46 5.130 -10.140 -4.231 1.00 0.00 C ATOM 711 C HIS A 46 6.187 -9.224 -4.840 1.00 0.00 C ATOM 712 O HIS A 46 5.915 -8.064 -5.150 1.00 0.00 O ATOM 713 CB HIS A 46 4.134 -10.575 -5.306 1.00 0.00 C ATOM 714 CG HIS A 46 4.557 -11.801 -6.054 1.00 0.00 C ATOM 715 ND1 HIS A 46 4.864 -11.795 -7.398 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.725 -13.078 -5.637 1.00 0.00 C ATOM 717 CE1 HIS A 46 5.202 -13.015 -7.776 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.126 -13.812 -6.727 1.00 0.00 N ATOM 0 H HIS A 46 4.171 -8.507 -3.330 1.00 0.00 H new ATOM 0 HA HIS A 46 5.628 -11.023 -3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.166 -10.760 -4.839 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.996 -9.757 -6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.572 -13.450 -4.635 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.491 -13.310 -8.774 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.332 -14.811 -6.726 1.00 0.00 H new ATOM 727 N LYS A 47 7.394 -9.753 -5.009 1.00 0.00 N ATOM 728 CA LYS A 47 8.493 -8.985 -5.582 1.00 0.00 C ATOM 729 C LYS A 47 8.277 -8.755 -7.074 1.00 0.00 C ATOM 730 O LYS A 47 9.092 -8.117 -7.738 1.00 0.00 O ATOM 731 CB LYS A 47 9.822 -9.709 -5.354 1.00 0.00 C ATOM 732 CG LYS A 47 9.792 -11.175 -5.750 1.00 0.00 C ATOM 733 CD LYS A 47 11.193 -11.745 -5.883 1.00 0.00 C ATOM 734 CE LYS A 47 11.227 -12.922 -6.846 1.00 0.00 C ATOM 735 NZ LYS A 47 10.269 -13.991 -6.449 1.00 0.00 N ATOM 0 H LYS A 47 7.636 -10.711 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 47 8.524 -8.016 -5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.603 -9.204 -5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.092 -9.631 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.236 -11.743 -5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.262 -11.287 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.872 -10.967 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.552 -12.064 -4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.988 -12.576 -7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.236 -13.333 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.439 -14.841 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.402 -14.221 -5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.295 -13.659 -6.602 1.00 0.00 H new ATOM 749 N ASN A 48 7.171 -9.278 -7.595 1.00 0.00 N ATOM 750 CA ASN A 48 6.847 -9.129 -9.009 1.00 0.00 C ATOM 751 C ASN A 48 5.457 -8.527 -9.188 1.00 0.00 C ATOM 752 O ASN A 48 4.886 -8.569 -10.279 1.00 0.00 O ATOM 753 CB ASN A 48 6.924 -10.483 -9.717 1.00 0.00 C ATOM 754 CG ASN A 48 8.324 -10.802 -10.205 1.00 0.00 C ATOM 755 OD1 ASN A 48 9.299 -10.709 -9.308 1.00 0.00 O flip ATOM 756 ND2 ASN A 48 8.526 -11.128 -11.375 1.00 0.00 N flip ATOM 0 H ASN A 48 6.484 -9.809 -7.059 1.00 0.00 H new ATOM 0 HA ASN A 48 7.577 -8.452 -9.454 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.593 -11.266 -9.035 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.237 -10.487 -10.564 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.746 -11.187 -12.030 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.473 -11.340 -11.689 1.00 0.00 H new ATOM 763 N LEU A 49 4.918 -7.966 -8.111 1.00 0.00 N ATOM 764 CA LEU A 49 3.594 -7.354 -8.148 1.00 0.00 C ATOM 765 C LEU A 49 3.651 -5.972 -8.791 1.00 0.00 C ATOM 766 O LEU A 49 2.800 -5.622 -9.609 1.00 0.00 O ATOM 767 CB LEU A 49 3.020 -7.248 -6.735 1.00 0.00 C ATOM 768 CG LEU A 49 1.808 -6.330 -6.570 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.734 -6.674 -7.589 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.255 -6.426 -5.156 1.00 0.00 C ATOM 0 H LEU A 49 5.377 -7.922 -7.201 1.00 0.00 H new ATOM 0 HA LEU A 49 2.944 -7.989 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.741 -8.248 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.809 -6.898 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 49 2.128 -5.303 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.120 -6.010 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.135 -6.552 -8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.416 -7.707 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.393 -5.766 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.951 -7.453 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.024 -6.128 -4.444 1.00 0.00 H new ATOM 782 N ILE A 50 4.661 -5.193 -8.418 1.00 0.00 N ATOM 783 CA ILE A 50 4.830 -3.851 -8.961 1.00 0.00 C ATOM 784 C ILE A 50 4.718 -3.855 -10.482 1.00 0.00 C ATOM 785 O ILE A 50 4.339 -2.854 -11.090 1.00 0.00 O ATOM 786 CB ILE A 50 6.190 -3.249 -8.560 1.00 0.00 C ATOM 787 CG1 ILE A 50 6.216 -1.749 -8.858 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.320 -3.960 -9.290 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.513 -0.912 -7.812 1.00 0.00 C ATOM 0 H ILE A 50 5.374 -5.468 -7.742 1.00 0.00 H new ATOM 0 HA ILE A 50 4.032 -3.238 -8.542 1.00 0.00 H new ATOM 0 HB ILE A 50 6.331 -3.390 -7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.252 -1.421 -8.938 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.750 -1.571 -9.827 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.275 -3.523 -8.996 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.311 -5.019 -9.032 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.186 -3.848 -10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.571 0.141 -8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.467 -1.213 -7.748 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.993 -1.060 -6.845 1.00 0.00 H new ATOM 801 N LYS A 51 5.048 -4.989 -11.091 1.00 0.00 N ATOM 802 CA LYS A 51 4.981 -5.126 -12.541 1.00 0.00 C ATOM 803 C LYS A 51 3.533 -5.147 -13.020 1.00 0.00 C ATOM 804 O LYS A 51 3.194 -4.523 -14.025 1.00 0.00 O ATOM 805 CB LYS A 51 5.695 -6.405 -12.986 1.00 0.00 C ATOM 806 CG LYS A 51 7.097 -6.547 -12.419 1.00 0.00 C ATOM 807 CD LYS A 51 8.002 -7.326 -13.359 1.00 0.00 C ATOM 808 CE LYS A 51 8.684 -6.409 -14.363 1.00 0.00 C ATOM 809 NZ LYS A 51 7.867 -6.229 -15.595 1.00 0.00 N ATOM 0 H LYS A 51 5.365 -5.827 -10.603 1.00 0.00 H new ATOM 0 HA LYS A 51 5.479 -4.265 -12.986 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.101 -7.267 -12.683 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.749 -6.421 -14.075 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.520 -5.558 -12.241 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.051 -7.053 -11.454 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.756 -7.859 -12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.417 -8.077 -13.890 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.866 -5.438 -13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.657 -6.822 -14.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.485 -5.947 -16.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.392 -7.124 -15.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.153 -5.490 -15.433 1.00 0.00 H new ATOM 823 N GLU A 52 2.685 -5.867 -12.293 1.00 0.00 N ATOM 824 CA GLU A 52 1.273 -5.968 -12.645 1.00 0.00 C ATOM 825 C GLU A 52 0.455 -4.901 -11.922 1.00 0.00 C ATOM 826 O GLU A 52 -0.731 -4.720 -12.197 1.00 0.00 O ATOM 827 CB GLU A 52 0.736 -7.358 -12.300 1.00 0.00 C ATOM 828 CG GLU A 52 1.669 -8.488 -12.703 1.00 0.00 C ATOM 829 CD GLU A 52 1.539 -8.856 -14.169 1.00 0.00 C ATOM 830 OE1 GLU A 52 1.088 -8.000 -14.958 1.00 0.00 O ATOM 831 OE2 GLU A 52 1.891 -10.000 -14.526 1.00 0.00 O ATOM 0 H GLU A 52 2.950 -6.389 -11.458 1.00 0.00 H new ATOM 0 HA GLU A 52 1.180 -5.807 -13.719 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.556 -7.412 -11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.226 -7.499 -12.793 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.698 -8.196 -12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.457 -9.365 -12.092 1.00 0.00 H new ATOM 838 N PHE A 53 1.098 -4.198 -10.996 1.00 0.00 N ATOM 839 CA PHE A 53 0.431 -3.150 -10.232 1.00 0.00 C ATOM 840 C PHE A 53 -0.014 -2.011 -11.144 1.00 0.00 C ATOM 841 O PHE A 53 0.802 -1.394 -11.830 1.00 0.00 O ATOM 842 CB PHE A 53 1.361 -2.613 -9.142 1.00 0.00 C ATOM 843 CG PHE A 53 0.950 -1.269 -8.612 1.00 0.00 C ATOM 844 CD1 PHE A 53 1.304 -0.108 -9.280 1.00 0.00 C ATOM 845 CD2 PHE A 53 0.209 -1.168 -7.445 1.00 0.00 C ATOM 846 CE1 PHE A 53 0.928 1.130 -8.793 1.00 0.00 C ATOM 847 CE2 PHE A 53 -0.171 0.067 -6.954 1.00 0.00 C ATOM 848 CZ PHE A 53 0.188 1.217 -7.630 1.00 0.00 C ATOM 0 H PHE A 53 2.080 -4.335 -10.756 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.453 -3.583 -9.764 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.391 -3.326 -8.318 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.373 -2.543 -9.541 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.880 -0.171 -10.191 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.075 -2.064 -6.913 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.213 2.028 -9.321 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.748 0.133 -6.043 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.110 2.183 -7.250 1.00 0.00 H new ATOM 858 N LYS A 54 -1.314 -1.737 -11.148 1.00 0.00 N ATOM 859 CA LYS A 54 -1.869 -0.672 -11.974 1.00 0.00 C ATOM 860 C LYS A 54 -2.133 0.580 -11.144 1.00 0.00 C ATOM 861 O LYS A 54 -1.687 1.674 -11.493 1.00 0.00 O ATOM 862 CB LYS A 54 -3.167 -1.138 -12.639 1.00 0.00 C ATOM 863 CG LYS A 54 -3.623 -0.242 -13.778 1.00 0.00 C ATOM 864 CD LYS A 54 -4.986 -0.660 -14.304 1.00 0.00 C ATOM 865 CE LYS A 54 -5.740 0.521 -14.896 1.00 0.00 C ATOM 866 NZ LYS A 54 -6.700 0.093 -15.951 1.00 0.00 N ATOM 0 H LYS A 54 -2.003 -2.238 -10.588 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.139 -0.428 -12.746 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.028 -2.151 -13.018 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.954 -1.184 -11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.666 0.792 -13.434 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.893 -0.279 -14.586 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.863 -1.432 -15.063 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.571 -1.098 -13.495 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.279 1.042 -14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.029 1.231 -15.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.194 0.926 -16.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.183 -0.382 -16.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.394 -0.565 -15.542 1.00 0.00 H new ATOM 880 N TYR A 55 -2.858 0.413 -10.044 1.00 0.00 N ATOM 881 CA TYR A 55 -3.181 1.530 -9.164 1.00 0.00 C ATOM 882 C TYR A 55 -3.594 1.033 -7.782 1.00 0.00 C ATOM 883 O TYR A 55 -3.861 -0.153 -7.590 1.00 0.00 O ATOM 884 CB TYR A 55 -4.302 2.375 -9.770 1.00 0.00 C ATOM 885 CG TYR A 55 -5.586 1.608 -9.994 1.00 0.00 C ATOM 886 CD1 TYR A 55 -5.768 0.838 -11.136 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.616 1.653 -9.063 1.00 0.00 C ATOM 888 CE1 TYR A 55 -6.939 0.136 -11.345 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.790 0.953 -9.263 1.00 0.00 C ATOM 890 CZ TYR A 55 -7.947 0.197 -10.405 1.00 0.00 C ATOM 891 OH TYR A 55 -9.115 -0.502 -10.609 1.00 0.00 O ATOM 0 H TYR A 55 -3.233 -0.485 -9.740 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.288 2.145 -9.057 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.504 3.221 -9.113 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.963 2.785 -10.721 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.980 0.787 -11.873 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.497 2.245 -8.168 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.065 -0.457 -12.239 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.581 0.998 -8.529 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.721 -0.354 -9.853 1.00 0.00 H new ATOM 901 N ALA A 56 -3.643 1.950 -6.821 1.00 0.00 N ATOM 902 CA ALA A 56 -4.026 1.608 -5.457 1.00 0.00 C ATOM 903 C ALA A 56 -5.096 2.558 -4.932 1.00 0.00 C ATOM 904 O ALA A 56 -4.962 3.778 -5.035 1.00 0.00 O ATOM 905 CB ALA A 56 -2.807 1.628 -4.546 1.00 0.00 C ATOM 0 H ALA A 56 -3.422 2.936 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.444 0.601 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.108 1.371 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.075 0.904 -4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.365 2.624 -4.552 1.00 0.00 H new ATOM 911 N LEU A 57 -6.159 1.993 -4.370 1.00 0.00 N ATOM 912 CA LEU A 57 -7.254 2.790 -3.829 1.00 0.00 C ATOM 913 C LEU A 57 -7.086 2.998 -2.327 1.00 0.00 C ATOM 914 O LEU A 57 -7.170 2.050 -1.545 1.00 0.00 O ATOM 915 CB LEU A 57 -8.595 2.112 -4.114 1.00 0.00 C ATOM 916 CG LEU A 57 -8.890 1.799 -5.582 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.013 0.781 -5.695 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.242 3.072 -6.338 1.00 0.00 C ATOM 0 H LEU A 57 -6.286 0.985 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.236 3.765 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.636 1.181 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.391 2.751 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.993 1.371 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.209 0.571 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.722 -0.139 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.915 1.181 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.449 2.831 -7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.124 3.529 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.406 3.769 -6.286 1.00 0.00 H new ATOM 930 N VAL A 58 -6.850 4.244 -1.930 1.00 0.00 N ATOM 931 CA VAL A 58 -6.674 4.577 -0.521 1.00 0.00 C ATOM 932 C VAL A 58 -7.961 5.133 0.077 1.00 0.00 C ATOM 933 O VAL A 58 -8.755 5.770 -0.615 1.00 0.00 O ATOM 934 CB VAL A 58 -5.544 5.605 -0.325 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.433 6.004 1.139 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.223 5.049 -0.836 1.00 0.00 C ATOM 0 H VAL A 58 -6.776 5.040 -2.564 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.408 3.653 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.784 6.497 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.629 6.731 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.374 6.446 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.216 5.122 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.436 5.789 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.974 4.141 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.312 4.819 -1.898 1.00 0.00 H new ATOM 946 N TRP A 59 -8.161 4.888 1.367 1.00 0.00 N ATOM 947 CA TRP A 59 -9.353 5.365 2.060 1.00 0.00 C ATOM 948 C TRP A 59 -8.983 6.050 3.371 1.00 0.00 C ATOM 949 O TRP A 59 -8.895 5.405 4.416 1.00 0.00 O ATOM 950 CB TRP A 59 -10.310 4.203 2.329 1.00 0.00 C ATOM 951 CG TRP A 59 -11.072 3.767 1.114 1.00 0.00 C ATOM 952 CD1 TRP A 59 -12.134 4.404 0.541 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.830 2.596 0.326 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.568 3.701 -0.557 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.783 2.588 -0.711 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.899 1.556 0.393 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.832 1.580 -1.669 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.949 0.555 -0.559 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.909 0.573 -1.579 1.00 0.00 C ATOM 0 H TRP A 59 -7.514 4.362 1.954 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.849 6.094 1.419 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.743 3.357 2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -11.016 4.496 3.106 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.570 5.326 0.898 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.348 3.965 -1.160 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -9.154 1.535 1.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.572 1.592 -2.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.236 -0.255 -0.516 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.921 -0.223 -2.309 1.00 0.00 H new ATOM 970 N GLY A 60 -8.767 7.360 3.309 1.00 0.00 N ATOM 971 CA GLY A 60 -8.409 8.110 4.499 1.00 0.00 C ATOM 972 C GLY A 60 -8.047 9.549 4.191 1.00 0.00 C ATOM 973 O GLY A 60 -8.550 10.131 3.228 1.00 0.00 O ATOM 0 H GLY A 60 -8.833 7.916 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.243 8.091 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.566 7.624 4.991 1.00 0.00 H new ATOM 977 N LEU A 61 -7.175 10.127 5.009 1.00 0.00 N ATOM 978 CA LEU A 61 -6.747 11.509 4.820 1.00 0.00 C ATOM 979 C LEU A 61 -5.661 11.601 3.753 1.00 0.00 C ATOM 980 O LEU A 61 -5.485 12.643 3.121 1.00 0.00 O ATOM 981 CB LEU A 61 -6.233 12.089 6.138 1.00 0.00 C ATOM 982 CG LEU A 61 -7.034 11.725 7.389 1.00 0.00 C ATOM 983 CD1 LEU A 61 -6.152 11.794 8.626 1.00 0.00 C ATOM 984 CD2 LEU A 61 -8.238 12.642 7.538 1.00 0.00 C ATOM 0 H LEU A 61 -6.750 9.660 5.810 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.608 12.088 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.204 11.758 6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.209 13.175 6.049 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.394 10.702 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.739 11.532 9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.323 11.094 8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.761 12.805 8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.796 12.368 8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.900 13.675 7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.882 12.542 6.664 1.00 0.00 H new ATOM 996 N SER A 62 -4.936 10.504 3.556 1.00 0.00 N ATOM 997 CA SER A 62 -3.866 10.462 2.567 1.00 0.00 C ATOM 998 C SER A 62 -4.333 11.045 1.236 1.00 0.00 C ATOM 999 O SER A 62 -3.521 11.444 0.401 1.00 0.00 O ATOM 1000 CB SER A 62 -3.385 9.024 2.365 1.00 0.00 C ATOM 1001 OG SER A 62 -2.489 8.934 1.271 1.00 0.00 O ATOM 0 H SER A 62 -5.071 9.633 4.069 1.00 0.00 H new ATOM 0 HA SER A 62 -3.038 11.066 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.893 8.671 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.241 8.372 2.192 1.00 0.00 H new ATOM 0 HG SER A 62 -1.585 8.751 1.603 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.648 11.092 1.047 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.225 11.627 -0.181 1.00 0.00 C ATOM 1009 C VAL A 63 -7.328 12.634 0.124 1.00 0.00 C ATOM 1010 O VAL A 63 -7.585 12.959 1.283 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.798 10.505 -1.066 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.676 9.730 -1.740 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.680 9.577 -0.245 1.00 0.00 C ATOM 0 H VAL A 63 -6.334 10.766 1.728 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.420 12.127 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.412 10.958 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.101 8.941 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.090 10.406 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.033 9.287 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.076 8.790 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.091 9.130 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.505 10.145 0.185 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.980 13.124 -0.925 1.00 0.00 N ATOM 1024 CA LYS A 64 -9.058 14.093 -0.772 1.00 0.00 C ATOM 1025 C LYS A 64 -10.418 13.428 -0.956 1.00 0.00 C ATOM 1026 O LYS A 64 -11.257 13.445 -0.054 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.895 15.233 -1.780 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.848 16.256 -1.377 1.00 0.00 C ATOM 1029 CD LYS A 64 -8.422 17.300 -0.433 1.00 0.00 C ATOM 1030 CE LYS A 64 -9.292 18.303 -1.174 1.00 0.00 C ATOM 1031 NZ LYS A 64 -9.755 19.401 -0.282 1.00 0.00 N ATOM 0 H LYS A 64 -7.780 12.865 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.006 14.500 0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.627 14.814 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.854 15.736 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.011 15.751 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.455 16.746 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.011 16.808 0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.609 17.824 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.730 18.725 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.156 17.791 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.345 20.064 -0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.312 19.001 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.931 19.906 0.103 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.630 12.840 -2.130 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.888 12.167 -2.431 1.00 0.00 C ATOM 1047 C HIS A 65 -11.679 10.662 -2.572 1.00 0.00 C ATOM 1048 O HIS A 65 -10.924 10.209 -3.431 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.498 12.731 -3.715 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.600 14.225 -3.724 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -12.501 14.980 -4.874 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -12.794 15.105 -2.714 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -12.628 16.259 -4.570 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.808 16.362 -3.266 1.00 0.00 N ATOM 0 H HIS A 65 -9.947 12.816 -2.887 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.574 12.345 -1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.895 12.411 -4.565 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.492 12.306 -3.852 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.915 14.863 -1.668 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.591 17.081 -5.269 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.937 17.234 -2.752 1.00 0.00 H new ATOM 1063 N ASN A 66 -12.352 9.894 -1.722 1.00 0.00 N ATOM 1064 CA ASN A 66 -12.239 8.440 -1.751 1.00 0.00 C ATOM 1065 C ASN A 66 -13.536 7.803 -2.238 1.00 0.00 C ATOM 1066 O ASN A 66 -14.630 8.330 -2.036 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.886 7.907 -0.361 1.00 0.00 C ATOM 1068 CG ASN A 66 -10.719 8.648 0.263 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -9.658 8.070 0.499 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -10.911 9.934 0.533 1.00 0.00 N ATOM 0 H ASN A 66 -12.981 10.254 -1.005 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.442 8.176 -2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.756 7.992 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.643 6.847 -0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.162 10.484 0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.807 10.371 0.320 1.00 0.00 H new ATOM 1077 N PRO A 67 -13.414 6.640 -2.896 1.00 0.00 N ATOM 1078 CA PRO A 67 -12.117 6.003 -3.143 1.00 0.00 C ATOM 1079 C PRO A 67 -11.276 6.775 -4.153 1.00 0.00 C ATOM 1080 O PRO A 67 -11.747 7.109 -5.240 1.00 0.00 O ATOM 1081 CB PRO A 67 -12.498 4.630 -3.702 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.848 4.825 -4.300 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.533 5.858 -3.448 1.00 0.00 C ATOM 0 HA PRO A 67 -11.506 5.957 -2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.779 4.294 -4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.518 3.875 -2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.772 5.160 -5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.410 3.891 -4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.207 6.481 -4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.129 5.398 -2.660 1.00 0.00 H new ATOM 1091 N GLN A 68 -10.029 7.054 -3.787 1.00 0.00 N ATOM 1092 CA GLN A 68 -9.122 7.788 -4.663 1.00 0.00 C ATOM 1093 C GLN A 68 -8.201 6.833 -5.415 1.00 0.00 C ATOM 1094 O GLN A 68 -8.019 5.684 -5.014 1.00 0.00 O ATOM 1095 CB GLN A 68 -8.292 8.784 -3.853 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.585 9.824 -4.707 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.196 9.388 -5.128 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -5.850 8.210 -5.040 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.391 10.338 -5.589 1.00 0.00 N ATOM 0 H GLN A 68 -9.624 6.783 -2.891 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.722 8.334 -5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.943 9.292 -3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.549 8.237 -3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.183 10.026 -5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.515 10.759 -4.151 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.719 11.302 -5.645 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.444 10.104 -5.887 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.622 7.317 -6.509 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.719 6.508 -7.318 1.00 0.00 C ATOM 1110 C LYS A 69 -5.290 7.036 -7.232 1.00 0.00 C ATOM 1111 O LYS A 69 -4.997 8.140 -7.690 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.181 6.494 -8.777 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.696 5.285 -9.558 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.178 5.322 -10.999 1.00 0.00 C ATOM 1115 CE LYS A 69 -6.693 4.110 -11.780 1.00 0.00 C ATOM 1116 NZ LYS A 69 -6.753 4.338 -13.250 1.00 0.00 N ATOM 0 H LYS A 69 -7.762 8.266 -6.855 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.736 5.490 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.270 6.520 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.828 7.400 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.607 5.251 -9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.052 4.374 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.267 5.357 -11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.821 6.233 -11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.668 3.877 -11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.302 3.244 -11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.414 3.490 -13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.735 4.535 -13.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.152 5.149 -13.500 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.405 6.239 -6.641 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.006 6.626 -6.497 1.00 0.00 C ATOM 1132 C VAL A 70 -2.094 5.691 -7.284 1.00 0.00 C ATOM 1133 O VAL A 70 -2.494 4.592 -7.666 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.573 6.623 -5.019 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.423 7.593 -4.212 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.658 5.219 -4.442 1.00 0.00 C ATOM 0 H VAL A 70 -4.632 5.323 -6.255 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.914 7.637 -6.893 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.535 6.952 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.103 7.577 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.306 8.600 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.470 7.298 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.348 5.236 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.685 4.859 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.002 4.554 -5.004 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.864 6.137 -7.523 1.00 0.00 N ATOM 1147 CA GLY A 71 0.087 5.328 -8.264 1.00 0.00 C ATOM 1148 C GLY A 71 1.099 4.652 -7.361 1.00 0.00 C ATOM 1149 O GLY A 71 0.848 4.454 -6.172 1.00 0.00 O ATOM 0 H GLY A 71 -0.509 7.043 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.451 4.570 -8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.610 5.956 -8.985 1.00 0.00 H new ATOM 1153 N LYS A 72 2.248 4.294 -7.926 1.00 0.00 N ATOM 1154 CA LYS A 72 3.303 3.636 -7.165 1.00 0.00 C ATOM 1155 C LYS A 72 4.217 4.661 -6.502 1.00 0.00 C ATOM 1156 O LYS A 72 5.130 4.303 -5.758 1.00 0.00 O ATOM 1157 CB LYS A 72 4.123 2.721 -8.078 1.00 0.00 C ATOM 1158 CG LYS A 72 4.825 3.457 -9.205 1.00 0.00 C ATOM 1159 CD LYS A 72 6.115 2.762 -9.607 1.00 0.00 C ATOM 1160 CE LYS A 72 6.870 3.554 -10.663 1.00 0.00 C ATOM 1161 NZ LYS A 72 7.497 4.779 -10.095 1.00 0.00 N ATOM 0 H LYS A 72 2.472 4.449 -8.909 1.00 0.00 H new ATOM 0 HA LYS A 72 2.834 3.036 -6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.867 2.197 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.465 1.963 -8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.161 3.521 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.043 4.479 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.747 2.630 -8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.889 1.767 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.641 2.924 -11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.186 3.834 -11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.098 5.227 -10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.754 5.445 -9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.077 4.522 -9.271 1.00 0.00 H new ATOM 1175 N ASP A 73 3.965 5.936 -6.777 1.00 0.00 N ATOM 1176 CA ASP A 73 4.764 7.014 -6.205 1.00 0.00 C ATOM 1177 C ASP A 73 4.010 7.709 -5.076 1.00 0.00 C ATOM 1178 O ASP A 73 4.442 8.747 -4.572 1.00 0.00 O ATOM 1179 CB ASP A 73 5.138 8.029 -7.286 1.00 0.00 C ATOM 1180 CG ASP A 73 3.937 8.797 -7.800 1.00 0.00 C ATOM 1181 OD1 ASP A 73 3.458 9.699 -7.081 1.00 0.00 O ATOM 1182 OD2 ASP A 73 3.474 8.496 -8.920 1.00 0.00 O ATOM 0 H ASP A 73 3.214 6.249 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 73 5.676 6.579 -5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.869 8.730 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.617 7.511 -8.117 1.00 0.00 H new ATOM 1187 N HIS A 74 2.879 7.132 -4.683 1.00 0.00 N ATOM 1188 CA HIS A 74 2.063 7.697 -3.613 1.00 0.00 C ATOM 1189 C HIS A 74 2.530 7.193 -2.251 1.00 0.00 C ATOM 1190 O HIS A 74 2.680 5.989 -2.039 1.00 0.00 O ATOM 1191 CB HIS A 74 0.591 7.342 -3.824 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.295 7.766 -2.694 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.917 8.996 -2.646 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.663 7.116 -1.565 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.629 9.084 -1.536 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.492 7.956 -0.863 1.00 0.00 N ATOM 0 H HIS A 74 2.506 6.274 -5.089 1.00 0.00 H new ATOM 0 HA HIS A 74 2.174 8.781 -3.638 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.241 7.810 -4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.502 6.264 -3.960 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.361 6.122 -1.271 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.222 9.934 -1.231 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.931 7.743 0.033 1.00 0.00 H new ATOM 1205 N THR A 75 2.759 8.123 -1.328 1.00 0.00 N ATOM 1206 CA THR A 75 3.211 7.774 0.013 1.00 0.00 C ATOM 1207 C THR A 75 2.050 7.291 0.876 1.00 0.00 C ATOM 1208 O THR A 75 1.039 7.981 1.017 1.00 0.00 O ATOM 1209 CB THR A 75 3.888 8.971 0.707 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.890 9.530 -0.150 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.519 8.546 2.024 1.00 0.00 C ATOM 0 H THR A 75 2.639 9.124 -1.485 1.00 0.00 H new ATOM 0 HA THR A 75 3.938 6.969 -0.098 1.00 0.00 H new ATOM 0 HB THR A 75 3.126 9.723 0.914 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.315 10.292 0.297 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.991 9.408 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.749 8.147 2.684 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.270 7.778 1.837 1.00 0.00 H new ATOM 1219 N LEU A 76 2.201 6.104 1.451 1.00 0.00 N ATOM 1220 CA LEU A 76 1.165 5.529 2.302 1.00 0.00 C ATOM 1221 C LEU A 76 1.137 6.214 3.664 1.00 0.00 C ATOM 1222 O LEU A 76 2.120 6.822 4.084 1.00 0.00 O ATOM 1223 CB LEU A 76 1.398 4.027 2.479 1.00 0.00 C ATOM 1224 CG LEU A 76 1.096 3.153 1.261 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.960 1.902 1.274 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.380 2.783 1.223 1.00 0.00 C ATOM 0 H LEU A 76 3.031 5.520 1.344 1.00 0.00 H new ATOM 0 HA LEU A 76 0.202 5.687 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.439 3.872 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.785 3.680 3.311 1.00 0.00 H new ATOM 0 HG LEU A 76 1.331 3.723 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.731 1.293 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.012 2.186 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.757 1.329 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.577 2.161 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.640 2.232 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.981 3.690 1.165 1.00 0.00 H new ATOM 1238 N GLU A 77 0.002 6.109 4.350 1.00 0.00 N ATOM 1239 CA GLU A 77 -0.153 6.719 5.666 1.00 0.00 C ATOM 1240 C GLU A 77 -0.660 5.699 6.681 1.00 0.00 C ATOM 1241 O GLU A 77 -1.350 4.743 6.326 1.00 0.00 O ATOM 1242 CB GLU A 77 -1.117 7.904 5.593 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.492 9.162 5.013 1.00 0.00 C ATOM 1244 CD GLU A 77 0.771 9.576 5.743 1.00 0.00 C ATOM 1245 OE1 GLU A 77 0.658 10.208 6.814 1.00 0.00 O ATOM 1246 OE2 GLU A 77 1.873 9.267 5.242 1.00 0.00 O ATOM 0 H GLU A 77 -0.822 5.608 4.017 1.00 0.00 H new ATOM 0 HA GLU A 77 0.825 7.075 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.979 7.624 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.489 8.121 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.261 8.997 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.216 9.976 5.056 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.312 5.909 7.946 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.731 5.009 9.014 1.00 0.00 C ATOM 1255 C ASP A 78 -2.250 5.001 9.153 1.00 0.00 C ATOM 1256 O ASP A 78 -2.908 6.017 8.930 1.00 0.00 O ATOM 1257 CB ASP A 78 -0.087 5.420 10.339 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.570 6.774 10.822 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -1.713 6.854 11.318 1.00 0.00 O ATOM 1260 OD2 ASP A 78 0.196 7.753 10.703 1.00 0.00 O ATOM 0 H ASP A 78 0.259 6.695 8.257 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.402 4.002 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.308 4.667 11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.996 5.445 10.221 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.800 3.848 9.522 1.00 0.00 N ATOM 1266 CA GLU A 79 -4.242 3.709 9.688 1.00 0.00 C ATOM 1267 C GLU A 79 -4.972 4.013 8.383 1.00 0.00 C ATOM 1268 O GLU A 79 -5.983 4.715 8.374 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.742 4.640 10.794 1.00 0.00 C ATOM 1270 CG GLU A 79 -3.987 4.491 12.104 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.734 5.090 13.280 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -5.531 4.363 13.910 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -4.520 6.285 13.571 1.00 0.00 O ATOM 0 H GLU A 79 -2.269 2.998 9.711 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.452 2.677 9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.660 5.672 10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.800 4.445 10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.804 3.434 12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.013 4.972 12.014 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.452 3.480 7.283 1.00 0.00 N ATOM 1281 CA ASP A 80 -5.054 3.693 5.972 1.00 0.00 C ATOM 1282 C ASP A 80 -5.222 2.371 5.230 1.00 0.00 C ATOM 1283 O ASP A 80 -4.384 1.476 5.336 1.00 0.00 O ATOM 1284 CB ASP A 80 -4.196 4.651 5.144 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.226 6.068 5.683 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -4.226 6.231 6.921 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.250 7.013 4.867 1.00 0.00 O ATOM 0 H ASP A 80 -3.615 2.897 7.273 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.040 4.134 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.167 4.292 5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.548 4.650 4.112 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.313 2.254 4.480 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.593 1.042 3.720 1.00 0.00 C ATOM 1294 C VAL A 81 -6.219 1.214 2.252 1.00 0.00 C ATOM 1295 O VAL A 81 -6.628 2.179 1.606 1.00 0.00 O ATOM 1296 CB VAL A 81 -8.079 0.648 3.817 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.350 -0.615 3.015 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.487 0.465 5.271 1.00 0.00 C ATOM 0 H VAL A 81 -7.018 2.985 4.383 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.986 0.249 4.156 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.679 1.453 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.405 -0.878 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.098 -0.443 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.742 -1.431 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.540 0.187 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.882 -0.321 5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.332 1.398 5.813 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.439 0.273 1.731 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.011 0.320 0.339 1.00 0.00 C ATOM 1310 C ILE A 82 -5.382 -0.965 -0.394 1.00 0.00 C ATOM 1311 O ILE A 82 -5.180 -2.064 0.120 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.492 0.543 0.224 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.079 0.643 -1.246 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.738 -0.583 0.916 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.638 1.061 -1.442 1.00 0.00 C ATOM 0 H ILE A 82 -5.091 -0.531 2.252 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.529 1.161 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.239 1.481 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.237 -0.323 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.728 1.359 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.665 -0.412 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.014 -0.612 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.994 -1.534 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.415 1.111 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.479 2.041 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.980 0.333 -0.968 1.00 0.00 H new ATOM 1327 N GLN A 83 -5.925 -0.817 -1.599 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.323 -1.966 -2.403 1.00 0.00 C ATOM 1329 C GLN A 83 -5.480 -2.061 -3.671 1.00 0.00 C ATOM 1330 O GLN A 83 -5.634 -1.259 -4.592 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.806 -1.870 -2.768 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.174 -2.643 -4.024 1.00 0.00 C ATOM 1333 CD GLN A 83 -7.963 -4.137 -3.873 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -6.831 -4.620 -3.881 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -9.057 -4.878 -3.735 1.00 0.00 N ATOM 0 H GLN A 83 -6.099 0.087 -2.039 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.159 -2.867 -1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.402 -2.242 -1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.071 -0.822 -2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.218 -2.451 -4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.576 -2.278 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.976 -4.435 -3.734 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.978 -5.890 -3.630 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.590 -3.047 -3.710 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.723 -3.247 -4.865 1.00 0.00 C ATOM 1346 C ILE A 84 -4.483 -3.899 -6.015 1.00 0.00 C ATOM 1347 O ILE A 84 -5.075 -4.967 -5.857 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.504 -4.118 -4.510 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.663 -3.440 -3.427 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.665 -4.385 -5.750 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.029 -2.143 -3.878 1.00 0.00 C ATOM 0 H ILE A 84 -4.450 -3.719 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.376 -2.261 -5.174 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.859 -5.073 -4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.292 -3.245 -2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.879 -4.125 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.807 -5.002 -5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.269 -4.906 -6.493 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.317 -3.439 -6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.448 -1.718 -3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.373 -2.335 -4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.808 -1.440 -4.173 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.460 -3.250 -7.175 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.144 -3.768 -8.354 1.00 0.00 C ATOM 1365 C VAL A 85 -4.146 -4.216 -9.416 1.00 0.00 C ATOM 1366 O VAL A 85 -3.189 -3.505 -9.724 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.087 -2.714 -8.964 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -6.544 -3.145 -10.350 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -7.280 -2.475 -8.051 1.00 0.00 C ATOM 0 H VAL A 85 -3.975 -2.365 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.732 -4.626 -8.027 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.540 -1.776 -9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.209 -2.388 -10.765 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.676 -3.261 -10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.074 -4.095 -10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.936 -1.728 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.829 -3.407 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.931 -2.119 -7.082 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.375 -5.400 -9.974 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.498 -5.944 -11.003 1.00 0.00 C ATOM 1381 C LYS A 86 -4.120 -5.788 -12.387 1.00 0.00 C ATOM 1382 O LYS A 86 -5.282 -6.135 -12.600 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.208 -7.421 -10.727 1.00 0.00 C ATOM 1384 CG LYS A 86 -2.765 -7.698 -9.300 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.399 -9.160 -9.103 1.00 0.00 C ATOM 1386 CE LYS A 86 -1.909 -9.425 -7.688 1.00 0.00 C ATOM 1387 NZ LYS A 86 -1.984 -10.871 -7.338 1.00 0.00 N ATOM 0 H LYS A 86 -5.162 -6.002 -9.730 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.562 -5.385 -10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.104 -8.004 -10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.433 -7.765 -11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.907 -7.071 -9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.564 -7.426 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.267 -9.785 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.625 -9.442 -9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.880 -9.080 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.507 -8.849 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.641 -11.011 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.970 -11.194 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.393 -11.418 -7.996 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.339 -5.264 -13.326 1.00 0.00 N ATOM 1402 CA LYS A 87 -3.812 -5.063 -14.690 1.00 0.00 C ATOM 1403 C LYS A 87 -4.525 -6.309 -15.208 1.00 0.00 C ATOM 1404 O LYS A 87 -4.356 -7.402 -14.667 1.00 0.00 O ATOM 1405 CB LYS A 87 -2.641 -4.713 -15.611 1.00 0.00 C ATOM 1406 CG LYS A 87 -2.143 -3.288 -15.446 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.876 -3.043 -16.249 1.00 0.00 C ATOM 1408 CE LYS A 87 -0.198 -1.745 -15.839 1.00 0.00 C ATOM 1409 NZ LYS A 87 -0.741 -0.576 -16.586 1.00 0.00 N ATOM 0 H LYS A 87 -2.375 -4.971 -13.167 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.522 -4.236 -14.684 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.818 -5.401 -15.417 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.946 -4.865 -16.646 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.918 -2.592 -15.766 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.951 -3.089 -14.392 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.187 -3.875 -16.106 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.118 -3.008 -17.311 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.333 -1.587 -14.769 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.875 -1.823 -16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.265 0.292 -16.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.575 -0.707 -17.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.763 -0.496 -16.410 1.00 0.00 H new