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 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= -0.136 USER MOD Single : A 17 LYS NZ :NH3+ 157:sc= 0.0561 (180deg=0.00365) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.743! C(o=-0.74!,f=-0.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.834 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -62:sc= 0.179 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -75:sc= 1.1 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0294 USER MOD Single : A 42 CYS SG : rot 70:sc= 0.857 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= -0.627 K(o=-0.63,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0229) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 62 SER OG : rot -117:sc= -0.821 USER MOD Single : A 64 LYS NZ :NH3+ 138:sc= 0.0871 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 66 ASN : amide:sc= -0.041! C(o=-0.041!,f=-7.3!) USER MOD Single : A 68 GLN : amide:sc= -0.844 X(o=-0.84,f=-0.35) USER MOD Single : A 69 LYS NZ :NH3+ -114:sc= 1.8 (180deg=0.833) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -2.71! C(o=-2.7!,f=-4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.09 K(o=-0.09,f=-1.6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N LYS A 10 9.489 5.948 12.436 1.00 0.00 N ATOM 107 CA LYS A 10 8.063 5.925 12.737 1.00 0.00 C ATOM 108 C LYS A 10 7.400 4.689 12.138 1.00 0.00 C ATOM 109 O LYS A 10 7.895 4.116 11.167 1.00 0.00 O ATOM 110 CB LYS A 10 7.387 7.189 12.201 1.00 0.00 C ATOM 111 CG LYS A 10 6.108 7.554 12.935 1.00 0.00 C ATOM 112 CD LYS A 10 5.235 8.482 12.107 1.00 0.00 C ATOM 113 CE LYS A 10 4.115 9.084 12.941 1.00 0.00 C ATOM 114 NZ LYS A 10 4.577 10.268 13.719 1.00 0.00 N ATOM 0 HA LYS A 10 7.947 5.889 13.820 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.086 8.022 12.271 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.162 7.050 11.144 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.553 6.647 13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.355 8.034 13.882 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.847 9.280 11.687 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.810 7.931 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.293 9.377 12.288 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.726 8.330 13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.785 10.649 14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.344 9.984 14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.925 10.998 13.066 1.00 0.00 H new ATOM 128 N LEU A 11 6.278 4.283 12.722 1.00 0.00 N ATOM 129 CA LEU A 11 5.546 3.115 12.245 1.00 0.00 C ATOM 130 C LEU A 11 4.395 3.529 11.333 1.00 0.00 C ATOM 131 O LEU A 11 3.741 4.546 11.564 1.00 0.00 O ATOM 132 CB LEU A 11 5.010 2.307 13.427 1.00 0.00 C ATOM 133 CG LEU A 11 6.057 1.587 14.278 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.094 0.914 13.392 1.00 0.00 C ATOM 135 CD2 LEU A 11 6.725 2.560 15.238 1.00 0.00 C ATOM 0 H LEU A 11 5.855 4.746 13.527 1.00 0.00 H new ATOM 0 HA LEU A 11 6.235 2.494 11.671 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.445 2.978 14.073 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.308 1.565 13.046 1.00 0.00 H new ATOM 0 HG LEU A 11 5.554 0.817 14.863 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.831 0.407 14.015 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.603 0.187 12.745 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.592 1.666 12.780 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.467 2.030 15.835 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.214 3.352 14.671 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.973 2.996 15.896 1.00 0.00 H new ATOM 147 N VAL A 12 4.151 2.732 10.298 1.00 0.00 N ATOM 148 CA VAL A 12 3.076 3.013 9.353 1.00 0.00 C ATOM 149 C VAL A 12 2.275 1.755 9.042 1.00 0.00 C ATOM 150 O VAL A 12 2.674 0.942 8.209 1.00 0.00 O ATOM 151 CB VAL A 12 3.624 3.598 8.038 1.00 0.00 C ATOM 152 CG1 VAL A 12 2.519 3.702 6.998 1.00 0.00 C ATOM 153 CG2 VAL A 12 4.265 4.955 8.284 1.00 0.00 C ATOM 0 H VAL A 12 4.683 1.886 10.092 1.00 0.00 H new ATOM 0 HA VAL A 12 2.424 3.748 9.825 1.00 0.00 H new ATOM 0 HB VAL A 12 4.390 2.925 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.925 4.117 6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.111 2.711 6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.728 4.352 7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.647 5.353 7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.522 5.640 8.693 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.087 4.846 8.992 1.00 0.00 H new ATOM 163 N ARG A 13 1.140 1.600 9.718 1.00 0.00 N ATOM 164 CA ARG A 13 0.282 0.440 9.514 1.00 0.00 C ATOM 165 C ARG A 13 -0.610 0.631 8.291 1.00 0.00 C ATOM 166 O ARG A 13 -1.253 1.670 8.137 1.00 0.00 O ATOM 167 CB ARG A 13 -0.580 0.192 10.754 1.00 0.00 C ATOM 168 CG ARG A 13 0.068 -0.732 11.772 1.00 0.00 C ATOM 169 CD ARG A 13 1.094 0.004 12.620 1.00 0.00 C ATOM 170 NE ARG A 13 0.505 1.136 13.331 1.00 0.00 N ATOM 171 CZ ARG A 13 1.150 1.841 14.253 1.00 0.00 C ATOM 172 NH1 ARG A 13 2.400 1.533 14.573 1.00 0.00 N ATOM 173 NH2 ARG A 13 0.547 2.857 14.856 1.00 0.00 N ATOM 0 H ARG A 13 0.794 2.264 10.411 1.00 0.00 H new ATOM 0 HA ARG A 13 0.920 -0.427 9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.799 1.147 11.231 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.534 -0.235 10.444 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.700 -1.159 12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.550 -1.563 11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.533 -0.687 13.339 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.904 0.358 11.983 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.455 1.399 13.107 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.868 0.753 14.110 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.894 2.076 15.282 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.414 3.098 14.612 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.044 3.398 15.564 1.00 0.00 H new ATOM 187 N ILE A 14 -0.644 -0.377 7.426 1.00 0.00 N ATOM 188 CA ILE A 14 -1.457 -0.319 6.218 1.00 0.00 C ATOM 189 C ILE A 14 -2.342 -1.555 6.092 1.00 0.00 C ATOM 190 O ILE A 14 -1.847 -2.675 5.969 1.00 0.00 O ATOM 191 CB ILE A 14 -0.583 -0.196 4.956 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.220 1.106 4.990 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.447 -0.259 3.705 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.639 2.342 5.142 1.00 0.00 C ATOM 0 H ILE A 14 -0.118 -1.243 7.539 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.085 0.568 6.302 1.00 0.00 H new ATOM 0 HB ILE A 14 0.116 -1.032 4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.931 1.064 5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.802 1.189 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.815 -0.171 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.978 -1.210 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.167 0.559 3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.003 3.227 5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.332 2.409 4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.201 2.282 6.074 1.00 0.00 H new ATOM 206 N TYR A 15 -3.653 -1.342 6.121 1.00 0.00 N ATOM 207 CA TYR A 15 -4.608 -2.439 6.010 1.00 0.00 C ATOM 208 C TYR A 15 -4.882 -2.776 4.548 1.00 0.00 C ATOM 209 O TYR A 15 -5.617 -2.066 3.860 1.00 0.00 O ATOM 210 CB TYR A 15 -5.916 -2.077 6.715 1.00 0.00 C ATOM 211 CG TYR A 15 -5.744 -1.756 8.183 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.661 -2.770 9.130 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.665 -0.441 8.623 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.504 -2.482 10.472 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.507 -0.144 9.962 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.427 -1.167 10.883 1.00 0.00 C ATOM 217 OH TYR A 15 -5.271 -0.875 12.219 1.00 0.00 O ATOM 0 H TYR A 15 -4.079 -0.420 6.220 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.174 -3.315 6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.364 -1.219 6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.616 -2.906 6.613 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.720 -3.800 8.811 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.728 0.363 7.905 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.442 -3.282 11.195 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.446 0.884 10.286 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.233 0.097 12.339 1.00 0.00 H new ATOM 227 N THR A 16 -4.286 -3.868 4.077 1.00 0.00 N ATOM 228 CA THR A 16 -4.464 -4.301 2.697 1.00 0.00 C ATOM 229 C THR A 16 -5.918 -4.664 2.418 1.00 0.00 C ATOM 230 O THR A 16 -6.577 -5.305 3.237 1.00 0.00 O ATOM 231 CB THR A 16 -3.572 -5.514 2.370 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.566 -5.751 0.958 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.063 -6.758 3.095 1.00 0.00 C ATOM 0 H THR A 16 -3.676 -4.468 4.632 1.00 0.00 H new ATOM 0 HA THR A 16 -4.173 -3.464 2.063 1.00 0.00 H new ATOM 0 HB THR A 16 -2.559 -5.293 2.706 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.996 -6.522 0.758 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.418 -7.601 2.849 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.039 -6.585 4.171 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.084 -6.980 2.786 1.00 0.00 H new ATOM 241 N LYS A 17 -6.413 -4.250 1.257 1.00 0.00 N ATOM 242 CA LYS A 17 -7.790 -4.533 0.868 1.00 0.00 C ATOM 243 C LYS A 17 -7.834 -5.375 -0.403 1.00 0.00 C ATOM 244 O LYS A 17 -7.822 -4.857 -1.520 1.00 0.00 O ATOM 245 CB LYS A 17 -8.559 -3.228 0.654 1.00 0.00 C ATOM 246 CG LYS A 17 -10.063 -3.375 0.812 1.00 0.00 C ATOM 247 CD LYS A 17 -10.794 -2.112 0.390 1.00 0.00 C ATOM 248 CE LYS A 17 -12.303 -2.301 0.433 1.00 0.00 C ATOM 249 NZ LYS A 17 -13.027 -1.000 0.373 1.00 0.00 N ATOM 0 H LYS A 17 -5.881 -3.717 0.569 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.260 -5.097 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.199 -2.483 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.342 -2.848 -0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.412 -4.216 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.300 -3.604 1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.510 -1.289 1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.490 -1.834 -0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.614 -2.929 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.577 -2.827 1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.992 -1.156 0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.071 -0.583 1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.524 -0.352 -0.266 1.00 0.00 H new ATOM 263 N PRO A 18 -7.888 -6.704 -0.232 1.00 0.00 N ATOM 264 CA PRO A 18 -7.937 -7.646 -1.355 1.00 0.00 C ATOM 265 C PRO A 18 -9.266 -7.590 -2.100 1.00 0.00 C ATOM 266 O PRO A 18 -10.334 -7.643 -1.491 1.00 0.00 O ATOM 267 CB PRO A 18 -7.758 -9.009 -0.682 1.00 0.00 C ATOM 268 CG PRO A 18 -8.245 -8.811 0.712 1.00 0.00 C ATOM 269 CD PRO A 18 -7.905 -7.391 1.071 1.00 0.00 C ATOM 0 HA PRO A 18 -7.180 -7.424 -2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.330 -9.782 -1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.714 -9.323 -0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.319 -8.984 0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.766 -9.512 1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.646 -6.958 1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.940 -7.324 1.573 1.00 0.00 H new ATOM 277 N LYS A 19 -9.193 -7.483 -3.423 1.00 0.00 N ATOM 278 CA LYS A 19 -10.389 -7.421 -4.253 1.00 0.00 C ATOM 279 C LYS A 19 -11.310 -8.604 -3.970 1.00 0.00 C ATOM 280 O LYS A 19 -10.944 -9.756 -4.198 1.00 0.00 O ATOM 281 CB LYS A 19 -10.007 -7.402 -5.735 1.00 0.00 C ATOM 282 CG LYS A 19 -9.543 -8.750 -6.260 1.00 0.00 C ATOM 283 CD LYS A 19 -10.704 -9.566 -6.803 1.00 0.00 C ATOM 284 CE LYS A 19 -10.932 -9.296 -8.282 1.00 0.00 C ATOM 285 NZ LYS A 19 -11.852 -10.295 -8.893 1.00 0.00 N ATOM 0 H LYS A 19 -8.317 -7.437 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.922 -6.502 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.865 -7.070 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.215 -6.669 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.803 -8.600 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.051 -9.303 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.506 -10.627 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.610 -9.328 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.346 -8.296 -8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.976 -9.314 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.982 -10.076 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.445 -11.247 -8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.772 -10.260 -8.410 1.00 0.00 H new ATOM 299 N GLY A 20 -12.507 -8.311 -3.472 1.00 0.00 N ATOM 300 CA GLY A 20 -13.461 -9.361 -3.168 1.00 0.00 C ATOM 301 C GLY A 20 -13.672 -9.539 -1.677 1.00 0.00 C ATOM 302 O GLY A 20 -14.798 -9.448 -1.189 1.00 0.00 O ATOM 0 H GLY A 20 -12.833 -7.365 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.415 -9.129 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.112 -10.300 -3.597 1.00 0.00 H new ATOM 306 N GLN A 21 -12.587 -9.794 -0.954 1.00 0.00 N ATOM 307 CA GLN A 21 -12.660 -9.987 0.490 1.00 0.00 C ATOM 308 C GLN A 21 -12.522 -8.658 1.224 1.00 0.00 C ATOM 309 O GLN A 21 -12.318 -7.612 0.605 1.00 0.00 O ATOM 310 CB GLN A 21 -11.569 -10.955 0.952 1.00 0.00 C ATOM 311 CG GLN A 21 -11.951 -11.760 2.183 1.00 0.00 C ATOM 312 CD GLN A 21 -13.399 -12.208 2.160 1.00 0.00 C ATOM 313 OE1 GLN A 21 -13.843 -12.866 1.219 1.00 0.00 O ATOM 314 NE2 GLN A 21 -14.145 -11.854 3.200 1.00 0.00 N ATOM 0 H GLN A 21 -11.647 -9.872 -1.343 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.636 -10.412 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.335 -11.641 0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.661 -10.391 1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.305 -12.635 2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.775 -11.159 3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.736 -11.308 3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.127 -12.128 3.240 1.00 0.00 H new ATOM 323 N LEU A 22 -12.633 -8.704 2.547 1.00 0.00 N ATOM 324 CA LEU A 22 -12.521 -7.503 3.367 1.00 0.00 C ATOM 325 C LEU A 22 -11.087 -7.303 3.847 1.00 0.00 C ATOM 326 O LEU A 22 -10.335 -8.257 4.046 1.00 0.00 O ATOM 327 CB LEU A 22 -13.465 -7.591 4.567 1.00 0.00 C ATOM 328 CG LEU A 22 -14.957 -7.451 4.260 1.00 0.00 C ATOM 329 CD1 LEU A 22 -15.788 -8.159 5.318 1.00 0.00 C ATOM 330 CD2 LEU A 22 -15.347 -5.983 4.166 1.00 0.00 C ATOM 0 H LEU A 22 -12.801 -9.561 3.075 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.802 -6.647 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.305 -8.550 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.187 -6.815 5.280 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.156 -7.921 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.847 -8.049 5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.529 -9.218 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -15.585 -7.719 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.412 -5.903 3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.133 -5.488 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.776 -5.505 3.370 1.00 0.00 H new ATOM 342 N PRO A 23 -10.699 -6.034 4.040 1.00 0.00 N ATOM 343 CA PRO A 23 -9.354 -5.679 4.502 1.00 0.00 C ATOM 344 C PRO A 23 -9.116 -6.076 5.955 1.00 0.00 C ATOM 345 O PRO A 23 -9.750 -5.543 6.866 1.00 0.00 O ATOM 346 CB PRO A 23 -9.317 -4.157 4.351 1.00 0.00 C ATOM 347 CG PRO A 23 -10.742 -3.733 4.437 1.00 0.00 C ATOM 348 CD PRO A 23 -11.543 -4.847 3.823 1.00 0.00 C ATOM 0 HA PRO A 23 -8.579 -6.196 3.936 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.719 -3.696 5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.874 -3.864 3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.037 -3.565 5.473 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.903 -2.796 3.903 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.516 -4.953 4.302 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.727 -4.673 2.763 1.00 0.00 H new ATOM 356 N ASP A 24 -8.200 -7.015 6.165 1.00 0.00 N ATOM 357 CA ASP A 24 -7.877 -7.482 7.508 1.00 0.00 C ATOM 358 C ASP A 24 -7.606 -6.307 8.442 1.00 0.00 C ATOM 359 O ASP A 24 -7.208 -5.229 8.000 1.00 0.00 O ATOM 360 CB ASP A 24 -6.663 -8.411 7.471 1.00 0.00 C ATOM 361 CG ASP A 24 -6.728 -9.403 6.326 1.00 0.00 C ATOM 362 OD1 ASP A 24 -7.801 -10.010 6.128 1.00 0.00 O ATOM 363 OD2 ASP A 24 -5.706 -9.573 5.629 1.00 0.00 O ATOM 0 H ASP A 24 -7.668 -7.468 5.422 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.736 -8.035 7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.755 -7.814 7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.595 -8.953 8.414 1.00 0.00 H new ATOM 368 N TYR A 25 -7.824 -6.522 9.735 1.00 0.00 N ATOM 369 CA TYR A 25 -7.606 -5.479 10.730 1.00 0.00 C ATOM 370 C TYR A 25 -6.766 -6.002 11.891 1.00 0.00 C ATOM 371 O TYR A 25 -6.565 -5.310 12.890 1.00 0.00 O ATOM 372 CB TYR A 25 -8.945 -4.954 11.251 1.00 0.00 C ATOM 373 CG TYR A 25 -9.903 -4.546 10.155 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.545 -3.589 9.213 1.00 0.00 C ATOM 375 CD2 TYR A 25 -11.167 -5.117 10.062 1.00 0.00 C ATOM 376 CE1 TYR A 25 -10.417 -3.213 8.210 1.00 0.00 C ATOM 377 CE2 TYR A 25 -12.045 -4.747 9.061 1.00 0.00 C ATOM 378 CZ TYR A 25 -11.666 -3.795 8.138 1.00 0.00 C ATOM 379 OH TYR A 25 -12.538 -3.424 7.141 1.00 0.00 O ATOM 0 H TYR A 25 -8.151 -7.409 10.118 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.065 -4.663 10.252 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.414 -5.724 11.864 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.762 -4.097 11.900 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.568 -3.131 9.266 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.468 -5.862 10.784 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.123 -2.468 7.486 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.023 -5.201 9.002 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.373 -3.929 7.232 1.00 0.00 H new ATOM 389 N THR A 26 -6.275 -7.230 11.752 1.00 0.00 N ATOM 390 CA THR A 26 -5.457 -7.847 12.788 1.00 0.00 C ATOM 391 C THR A 26 -4.096 -8.262 12.240 1.00 0.00 C ATOM 392 O THR A 26 -3.140 -8.442 12.995 1.00 0.00 O ATOM 393 CB THR A 26 -6.152 -9.083 13.391 1.00 0.00 C ATOM 394 OG1 THR A 26 -6.321 -10.089 12.387 1.00 0.00 O ATOM 395 CG2 THR A 26 -7.505 -8.710 13.977 1.00 0.00 C ATOM 0 H THR A 26 -6.430 -7.816 10.932 1.00 0.00 H new ATOM 0 HA THR A 26 -5.319 -7.099 13.569 1.00 0.00 H new ATOM 0 HB THR A 26 -5.523 -9.473 14.191 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.762 -10.872 12.779 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.977 -9.598 14.397 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.369 -7.966 14.762 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.140 -8.298 13.193 1.00 0.00 H new ATOM 403 N SER A 27 -4.015 -8.411 10.921 1.00 0.00 N ATOM 404 CA SER A 27 -2.771 -8.807 10.272 1.00 0.00 C ATOM 405 C SER A 27 -2.321 -7.749 9.268 1.00 0.00 C ATOM 406 O SER A 27 -1.981 -8.048 8.123 1.00 0.00 O ATOM 407 CB SER A 27 -2.945 -10.153 9.567 1.00 0.00 C ATOM 408 OG SER A 27 -1.696 -10.674 9.147 1.00 0.00 O ATOM 0 H SER A 27 -4.796 -8.263 10.282 1.00 0.00 H new ATOM 0 HA SER A 27 -2.004 -8.904 11.040 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.429 -10.860 10.241 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.601 -10.033 8.705 1.00 0.00 H new ATOM 0 HG SER A 27 -1.286 -10.061 8.501 1.00 0.00 H new ATOM 414 N PRO A 28 -2.319 -6.482 9.707 1.00 0.00 N ATOM 415 CA PRO A 28 -1.914 -5.353 8.864 1.00 0.00 C ATOM 416 C PRO A 28 -0.417 -5.357 8.570 1.00 0.00 C ATOM 417 O PRO A 28 0.356 -6.035 9.247 1.00 0.00 O ATOM 418 CB PRO A 28 -2.291 -4.130 9.703 1.00 0.00 C ATOM 419 CG PRO A 28 -2.272 -4.616 11.111 1.00 0.00 C ATOM 420 CD PRO A 28 -2.713 -6.052 11.059 1.00 0.00 C ATOM 0 HA PRO A 28 -2.396 -5.381 7.887 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.582 -3.315 9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.275 -3.750 9.429 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.274 -4.530 11.540 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.940 -4.025 11.737 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.225 -6.650 11.829 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.788 -6.148 11.214 1.00 0.00 H new ATOM 428 N VAL A 29 -0.015 -4.595 7.558 1.00 0.00 N ATOM 429 CA VAL A 29 1.389 -4.509 7.177 1.00 0.00 C ATOM 430 C VAL A 29 2.002 -3.187 7.626 1.00 0.00 C ATOM 431 O VAL A 29 1.789 -2.148 7.002 1.00 0.00 O ATOM 432 CB VAL A 29 1.567 -4.653 5.653 1.00 0.00 C ATOM 433 CG1 VAL A 29 0.565 -3.780 4.914 1.00 0.00 C ATOM 434 CG2 VAL A 29 2.991 -4.304 5.248 1.00 0.00 C ATOM 0 H VAL A 29 -0.642 -4.028 6.987 1.00 0.00 H new ATOM 0 HA VAL A 29 1.902 -5.331 7.675 1.00 0.00 H new ATOM 0 HB VAL A 29 1.380 -5.691 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.706 -3.895 3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.448 -4.082 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.718 -2.737 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.099 -4.411 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.209 -3.275 5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.687 -4.975 5.751 1.00 0.00 H new ATOM 444 N VAL A 30 2.764 -3.234 8.714 1.00 0.00 N ATOM 445 CA VAL A 30 3.410 -2.040 9.247 1.00 0.00 C ATOM 446 C VAL A 30 4.810 -1.868 8.669 1.00 0.00 C ATOM 447 O VAL A 30 5.760 -2.514 9.112 1.00 0.00 O ATOM 448 CB VAL A 30 3.503 -2.092 10.783 1.00 0.00 C ATOM 449 CG1 VAL A 30 3.831 -3.501 11.252 1.00 0.00 C ATOM 450 CG2 VAL A 30 4.540 -1.099 11.287 1.00 0.00 C ATOM 0 H VAL A 30 2.949 -4.086 9.244 1.00 0.00 H new ATOM 0 HA VAL A 30 2.794 -1.189 8.956 1.00 0.00 H new ATOM 0 HB VAL A 30 2.534 -1.814 11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.892 -3.517 12.340 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.049 -4.185 10.922 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.787 -3.812 10.830 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.593 -1.149 12.375 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.514 -1.345 10.865 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.257 -0.091 10.983 1.00 0.00 H new ATOM 460 N LEU A 31 4.931 -0.992 7.678 1.00 0.00 N ATOM 461 CA LEU A 31 6.216 -0.734 7.038 1.00 0.00 C ATOM 462 C LEU A 31 6.946 0.415 7.727 1.00 0.00 C ATOM 463 O LEU A 31 6.335 1.307 8.316 1.00 0.00 O ATOM 464 CB LEU A 31 6.015 -0.409 5.557 1.00 0.00 C ATOM 465 CG LEU A 31 4.930 -1.210 4.836 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.481 -0.487 3.576 1.00 0.00 C ATOM 467 CD2 LEU A 31 5.432 -2.607 4.501 1.00 0.00 C ATOM 0 H LEU A 31 4.155 -0.448 7.300 1.00 0.00 H new ATOM 0 HA LEU A 31 6.825 -1.634 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.776 0.651 5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.961 -0.568 5.039 1.00 0.00 H new ATOM 0 HG LEU A 31 4.072 -1.304 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.709 -1.072 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.080 0.491 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.331 -0.361 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.647 -3.163 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.306 -2.534 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.703 -3.126 5.420 1.00 0.00 H new ATOM 479 N PRO A 32 8.285 0.396 7.652 1.00 0.00 N ATOM 480 CA PRO A 32 9.127 1.430 8.260 1.00 0.00 C ATOM 481 C PRO A 32 9.008 2.771 7.543 1.00 0.00 C ATOM 482 O PRO A 32 9.210 2.858 6.331 1.00 0.00 O ATOM 483 CB PRO A 32 10.543 0.868 8.111 1.00 0.00 C ATOM 484 CG PRO A 32 10.465 -0.050 6.940 1.00 0.00 C ATOM 485 CD PRO A 32 9.080 -0.636 6.966 1.00 0.00 C ATOM 0 HA PRO A 32 8.841 1.633 9.292 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.269 1.663 7.943 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.855 0.337 9.010 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.644 0.488 6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.221 -0.832 7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.706 -0.828 5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.055 -1.585 7.502 1.00 0.00 H new ATOM 493 N TYR A 33 8.679 3.813 8.298 1.00 0.00 N ATOM 494 CA TYR A 33 8.531 5.149 7.733 1.00 0.00 C ATOM 495 C TYR A 33 9.583 5.406 6.658 1.00 0.00 C ATOM 496 O TYR A 33 9.254 5.655 5.499 1.00 0.00 O ATOM 497 CB TYR A 33 8.643 6.206 8.834 1.00 0.00 C ATOM 498 CG TYR A 33 8.058 7.546 8.448 1.00 0.00 C ATOM 499 CD1 TYR A 33 8.833 8.506 7.808 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.731 7.852 8.723 1.00 0.00 C ATOM 501 CE1 TYR A 33 8.303 9.731 7.455 1.00 0.00 C ATOM 502 CE2 TYR A 33 6.192 9.075 8.372 1.00 0.00 C ATOM 503 CZ TYR A 33 6.982 10.011 7.738 1.00 0.00 C ATOM 504 OH TYR A 33 6.451 11.231 7.387 1.00 0.00 O ATOM 0 H TYR A 33 8.510 3.758 9.302 1.00 0.00 H new ATOM 0 HA TYR A 33 7.545 5.214 7.274 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.137 5.842 9.728 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.693 6.339 9.093 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.867 8.290 7.583 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.110 7.121 9.220 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.920 10.467 6.960 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.158 9.297 8.593 1.00 0.00 H new ATOM 0 HH TYR A 33 5.509 11.267 7.656 1.00 0.00 H new ATOM 514 N SER A 34 10.851 5.343 7.053 1.00 0.00 N ATOM 515 CA SER A 34 11.952 5.571 6.125 1.00 0.00 C ATOM 516 C SER A 34 11.615 5.032 4.738 1.00 0.00 C ATOM 517 O SER A 34 11.944 5.648 3.724 1.00 0.00 O ATOM 518 CB SER A 34 13.230 4.910 6.645 1.00 0.00 C ATOM 519 OG SER A 34 14.246 4.917 5.657 1.00 0.00 O ATOM 0 H SER A 34 11.141 5.136 8.009 1.00 0.00 H new ATOM 0 HA SER A 34 12.113 6.646 6.048 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.579 5.435 7.534 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.017 3.884 6.944 1.00 0.00 H new ATOM 0 HG SER A 34 15.053 4.490 6.014 1.00 0.00 H new ATOM 525 N ARG A 35 10.956 3.879 4.702 1.00 0.00 N ATOM 526 CA ARG A 35 10.575 3.255 3.441 1.00 0.00 C ATOM 527 C ARG A 35 9.079 2.953 3.414 1.00 0.00 C ATOM 528 O ARG A 35 8.645 1.877 3.826 1.00 0.00 O ATOM 529 CB ARG A 35 11.371 1.967 3.223 1.00 0.00 C ATOM 530 CG ARG A 35 12.876 2.162 3.293 1.00 0.00 C ATOM 531 CD ARG A 35 13.458 2.507 1.931 1.00 0.00 C ATOM 532 NE ARG A 35 14.660 3.328 2.041 1.00 0.00 N ATOM 533 CZ ARG A 35 15.299 3.840 0.995 1.00 0.00 C ATOM 534 NH1 ARG A 35 14.853 3.616 -0.233 1.00 0.00 N ATOM 535 NH2 ARG A 35 16.388 4.577 1.176 1.00 0.00 N ATOM 0 H ARG A 35 10.675 3.358 5.532 1.00 0.00 H new ATOM 0 HA ARG A 35 10.802 3.954 2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.073 1.234 3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.112 1.550 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.108 2.958 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.344 1.253 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.695 1.588 1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.710 3.037 1.341 1.00 0.00 H new ATOM 0 HE ARG A 35 15.030 3.519 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.017 3.049 -0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.346 4.010 -1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.735 4.751 2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.878 4.969 0.372 1.00 0.00 H new ATOM 549 N THR A 36 8.296 3.910 2.927 1.00 0.00 N ATOM 550 CA THR A 36 6.850 3.747 2.848 1.00 0.00 C ATOM 551 C THR A 36 6.305 4.299 1.535 1.00 0.00 C ATOM 552 O THR A 36 6.301 5.510 1.313 1.00 0.00 O ATOM 553 CB THR A 36 6.140 4.449 4.021 1.00 0.00 C ATOM 554 OG1 THR A 36 6.750 5.720 4.272 1.00 0.00 O ATOM 555 CG2 THR A 36 6.200 3.596 5.279 1.00 0.00 C ATOM 0 H THR A 36 8.639 4.806 2.581 1.00 0.00 H new ATOM 0 HA THR A 36 6.650 2.677 2.900 1.00 0.00 H new ATOM 0 HB THR A 36 5.095 4.594 3.749 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.612 5.587 4.718 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.692 4.113 6.093 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.710 2.640 5.094 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.241 3.423 5.552 1.00 0.00 H new ATOM 563 N THR A 37 5.845 3.403 0.667 1.00 0.00 N ATOM 564 CA THR A 37 5.298 3.801 -0.624 1.00 0.00 C ATOM 565 C THR A 37 4.526 2.657 -1.270 1.00 0.00 C ATOM 566 O THR A 37 4.916 1.494 -1.165 1.00 0.00 O ATOM 567 CB THR A 37 6.409 4.264 -1.586 1.00 0.00 C ATOM 568 OG1 THR A 37 7.622 3.555 -1.310 1.00 0.00 O ATOM 569 CG2 THR A 37 6.649 5.760 -1.456 1.00 0.00 C ATOM 0 H THR A 37 5.841 2.397 0.835 1.00 0.00 H new ATOM 0 HA THR A 37 4.619 4.633 -0.437 1.00 0.00 H new ATOM 0 HB THR A 37 6.088 4.051 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.323 3.853 -1.927 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.437 6.063 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.732 6.298 -1.695 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.950 5.993 -0.435 1.00 0.00 H new ATOM 577 N VAL A 38 3.428 2.993 -1.940 1.00 0.00 N ATOM 578 CA VAL A 38 2.602 1.993 -2.605 1.00 0.00 C ATOM 579 C VAL A 38 3.453 0.852 -3.151 1.00 0.00 C ATOM 580 O VAL A 38 3.026 -0.302 -3.163 1.00 0.00 O ATOM 581 CB VAL A 38 1.792 2.613 -3.760 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.196 1.524 -4.638 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.703 3.526 -3.216 1.00 0.00 C ATOM 0 H VAL A 38 3.090 3.951 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 38 1.913 1.602 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 38 2.465 3.213 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.627 1.980 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.997 0.914 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.536 0.896 -4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.141 3.956 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.030 2.951 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.157 4.327 -2.632 1.00 0.00 H new ATOM 593 N GLU A 39 4.659 1.184 -3.602 1.00 0.00 N ATOM 594 CA GLU A 39 5.569 0.186 -4.150 1.00 0.00 C ATOM 595 C GLU A 39 6.151 -0.687 -3.042 1.00 0.00 C ATOM 596 O GLU A 39 6.097 -1.915 -3.111 1.00 0.00 O ATOM 597 CB GLU A 39 6.700 0.865 -4.926 1.00 0.00 C ATOM 598 CG GLU A 39 7.508 1.844 -4.090 1.00 0.00 C ATOM 599 CD GLU A 39 8.192 2.904 -4.933 1.00 0.00 C ATOM 600 OE1 GLU A 39 7.523 3.891 -5.304 1.00 0.00 O ATOM 601 OE2 GLU A 39 9.397 2.745 -5.220 1.00 0.00 O ATOM 0 H GLU A 39 5.028 2.135 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 39 5.002 -0.450 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.368 0.100 -5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.277 1.393 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.851 2.328 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.259 1.297 -3.521 1.00 0.00 H new ATOM 608 N ASP A 40 6.707 -0.043 -2.021 1.00 0.00 N ATOM 609 CA ASP A 40 7.299 -0.759 -0.897 1.00 0.00 C ATOM 610 C ASP A 40 6.353 -1.840 -0.382 1.00 0.00 C ATOM 611 O ASP A 40 6.785 -2.928 -0.002 1.00 0.00 O ATOM 612 CB ASP A 40 7.643 0.214 0.231 1.00 0.00 C ATOM 613 CG ASP A 40 8.300 -0.475 1.411 1.00 0.00 C ATOM 614 OD1 ASP A 40 7.933 -1.633 1.701 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.181 0.143 2.045 1.00 0.00 O ATOM 0 H ASP A 40 6.760 0.973 -1.949 1.00 0.00 H new ATOM 0 HA ASP A 40 8.214 -1.238 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.309 0.987 -0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.734 0.713 0.566 1.00 0.00 H new ATOM 620 N PHE A 41 5.061 -1.531 -0.371 1.00 0.00 N ATOM 621 CA PHE A 41 4.053 -2.475 0.099 1.00 0.00 C ATOM 622 C PHE A 41 3.915 -3.648 -0.867 1.00 0.00 C ATOM 623 O PHE A 41 3.844 -4.805 -0.449 1.00 0.00 O ATOM 624 CB PHE A 41 2.704 -1.773 0.263 1.00 0.00 C ATOM 625 CG PHE A 41 1.558 -2.720 0.481 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.142 -3.569 -0.532 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.898 -2.760 1.698 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.088 -4.441 -0.334 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.156 -3.631 1.901 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.562 -4.472 0.883 1.00 0.00 C ATOM 0 H PHE A 41 4.687 -0.635 -0.682 1.00 0.00 H new ATOM 0 HA PHE A 41 4.374 -2.860 1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.762 -1.085 1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.505 -1.173 -0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.647 -3.549 -1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.210 -2.104 2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.227 -5.098 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.662 -3.654 2.855 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.386 -5.152 1.039 1.00 0.00 H new ATOM 640 N CYS A 42 3.876 -3.342 -2.159 1.00 0.00 N ATOM 641 CA CYS A 42 3.744 -4.370 -3.185 1.00 0.00 C ATOM 642 C CYS A 42 4.787 -5.467 -2.992 1.00 0.00 C ATOM 643 O CYS A 42 4.501 -6.649 -3.184 1.00 0.00 O ATOM 644 CB CYS A 42 3.887 -3.753 -4.576 1.00 0.00 C ATOM 645 SG CYS A 42 2.515 -2.675 -5.050 1.00 0.00 S ATOM 0 H CYS A 42 3.934 -2.390 -2.521 1.00 0.00 H new ATOM 0 HA CYS A 42 2.753 -4.815 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.814 -3.181 -4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.976 -4.554 -5.310 1.00 0.00 H new ATOM 0 HG CYS A 42 2.555 -1.585 -4.342 1.00 0.00 H new ATOM 651 N MET A 43 5.996 -5.067 -2.613 1.00 0.00 N ATOM 652 CA MET A 43 7.081 -6.016 -2.396 1.00 0.00 C ATOM 653 C MET A 43 6.709 -7.029 -1.318 1.00 0.00 C ATOM 654 O MET A 43 6.959 -8.226 -1.463 1.00 0.00 O ATOM 655 CB MET A 43 8.361 -5.278 -1.998 1.00 0.00 C ATOM 656 CG MET A 43 8.895 -4.359 -3.085 1.00 0.00 C ATOM 657 SD MET A 43 9.519 -5.263 -4.514 1.00 0.00 S ATOM 658 CE MET A 43 8.740 -4.361 -5.852 1.00 0.00 C ATOM 0 H MET A 43 6.249 -4.092 -2.450 1.00 0.00 H new ATOM 0 HA MET A 43 7.254 -6.551 -3.329 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.168 -4.691 -1.100 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.128 -6.009 -1.743 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.102 -3.683 -3.405 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.694 -3.742 -2.673 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.030 -4.802 -6.806 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.657 -4.412 -5.743 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.059 -3.319 -5.822 1.00 0.00 H new ATOM 668 N LYS A 44 6.111 -6.543 -0.236 1.00 0.00 N ATOM 669 CA LYS A 44 5.703 -7.405 0.867 1.00 0.00 C ATOM 670 C LYS A 44 4.878 -8.584 0.359 1.00 0.00 C ATOM 671 O LYS A 44 4.833 -9.640 0.991 1.00 0.00 O ATOM 672 CB LYS A 44 4.895 -6.608 1.893 1.00 0.00 C ATOM 673 CG LYS A 44 5.744 -5.690 2.755 1.00 0.00 C ATOM 674 CD LYS A 44 6.465 -6.461 3.848 1.00 0.00 C ATOM 675 CE LYS A 44 5.629 -6.543 5.116 1.00 0.00 C ATOM 676 NZ LYS A 44 6.235 -7.460 6.121 1.00 0.00 N ATOM 0 H LYS A 44 5.898 -5.555 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 44 6.603 -7.792 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.147 -6.012 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.356 -7.302 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.473 -5.175 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.112 -4.924 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.693 -7.467 3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.417 -5.977 4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.526 -5.548 5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.625 -6.888 4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.636 -7.489 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.310 -8.416 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.183 -7.117 6.377 1.00 0.00 H new ATOM 690 N ILE A 45 4.229 -8.397 -0.785 1.00 0.00 N ATOM 691 CA ILE A 45 3.409 -9.446 -1.378 1.00 0.00 C ATOM 692 C ILE A 45 4.195 -10.237 -2.417 1.00 0.00 C ATOM 693 O ILE A 45 4.487 -11.418 -2.223 1.00 0.00 O ATOM 694 CB ILE A 45 2.145 -8.865 -2.039 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.389 -7.974 -1.052 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.248 -9.987 -2.542 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.065 -8.660 0.257 1.00 0.00 C ATOM 0 H ILE A 45 4.255 -7.529 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 45 3.112 -10.112 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 45 2.446 -8.256 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.985 -7.084 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.462 -7.638 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.359 -9.561 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.790 -10.585 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.952 -10.620 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.529 -7.969 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.443 -9.534 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.989 -8.972 0.743 1.00 0.00 H new ATOM 709 N HIS A 46 4.537 -9.579 -3.520 1.00 0.00 N ATOM 710 CA HIS A 46 5.292 -10.221 -4.590 1.00 0.00 C ATOM 711 C HIS A 46 6.299 -9.251 -5.202 1.00 0.00 C ATOM 712 O HIS A 46 5.921 -8.241 -5.796 1.00 0.00 O ATOM 713 CB HIS A 46 4.344 -10.741 -5.672 1.00 0.00 C ATOM 714 CG HIS A 46 4.857 -11.953 -6.386 1.00 0.00 C ATOM 715 ND1 HIS A 46 5.324 -11.922 -7.683 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.977 -13.238 -5.975 1.00 0.00 C ATOM 717 CE1 HIS A 46 5.707 -13.134 -8.040 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.507 -13.951 -7.022 1.00 0.00 N ATOM 0 H HIS A 46 4.303 -8.602 -3.696 1.00 0.00 H new ATOM 0 HA HIS A 46 5.838 -11.062 -4.162 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.382 -10.977 -5.217 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.167 -9.949 -6.399 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.706 -13.629 -5.005 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.115 -13.410 -9.001 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.713 -14.950 -7.015 1.00 0.00 H new ATOM 727 N LYS A 47 7.581 -9.565 -5.052 1.00 0.00 N ATOM 728 CA LYS A 47 8.643 -8.722 -5.590 1.00 0.00 C ATOM 729 C LYS A 47 8.402 -8.419 -7.065 1.00 0.00 C ATOM 730 O LYS A 47 8.937 -7.451 -7.605 1.00 0.00 O ATOM 731 CB LYS A 47 10.002 -9.404 -5.414 1.00 0.00 C ATOM 732 CG LYS A 47 11.131 -8.710 -6.156 1.00 0.00 C ATOM 733 CD LYS A 47 11.292 -9.257 -7.564 1.00 0.00 C ATOM 734 CE LYS A 47 12.547 -8.716 -8.232 1.00 0.00 C ATOM 735 NZ LYS A 47 13.780 -9.360 -7.700 1.00 0.00 N ATOM 0 H LYS A 47 7.910 -10.397 -4.562 1.00 0.00 H new ATOM 0 HA LYS A 47 8.641 -7.782 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.245 -9.442 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.930 -10.435 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.934 -7.639 -6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.063 -8.839 -5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.337 -10.346 -7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.419 -8.993 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.486 -8.881 -9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.605 -7.638 -8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.599 -9.066 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.924 -9.070 -6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.679 -10.394 -7.746 1.00 0.00 H new ATOM 749 N ASN A 48 7.592 -9.251 -7.712 1.00 0.00 N ATOM 750 CA ASN A 48 7.279 -9.070 -9.125 1.00 0.00 C ATOM 751 C ASN A 48 5.839 -8.603 -9.308 1.00 0.00 C ATOM 752 O ASN A 48 5.200 -8.905 -10.317 1.00 0.00 O ATOM 753 CB ASN A 48 7.505 -10.376 -9.890 1.00 0.00 C ATOM 754 CG ASN A 48 8.928 -10.884 -9.759 1.00 0.00 C ATOM 755 OD1 ASN A 48 9.799 -10.537 -10.558 1.00 0.00 O ATOM 756 ND2 ASN A 48 9.171 -11.711 -8.749 1.00 0.00 N ATOM 0 H ASN A 48 7.140 -10.057 -7.280 1.00 0.00 H new ATOM 0 HA ASN A 48 7.944 -8.303 -9.523 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.816 -11.135 -9.520 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.273 -10.222 -10.944 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.110 -12.086 -8.611 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.419 -11.972 -8.111 1.00 0.00 H new ATOM 763 N LEU A 49 5.333 -7.865 -8.326 1.00 0.00 N ATOM 764 CA LEU A 49 3.967 -7.355 -8.378 1.00 0.00 C ATOM 765 C LEU A 49 3.933 -5.950 -8.970 1.00 0.00 C ATOM 766 O LEU A 49 3.186 -5.680 -9.911 1.00 0.00 O ATOM 767 CB LEU A 49 3.351 -7.347 -6.978 1.00 0.00 C ATOM 768 CG LEU A 49 2.145 -6.427 -6.781 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.058 -6.747 -7.796 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.606 -6.551 -5.363 1.00 0.00 C ATOM 0 H LEU A 49 5.848 -7.606 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 49 3.383 -8.014 -9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.051 -8.365 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.123 -7.059 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 49 2.468 -5.398 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.208 -6.083 -7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.449 -6.607 -8.804 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.737 -7.781 -7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.748 -5.890 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.299 -7.581 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.384 -6.272 -4.652 1.00 0.00 H new ATOM 782 N ILE A 50 4.747 -5.059 -8.413 1.00 0.00 N ATOM 783 CA ILE A 50 4.812 -3.683 -8.888 1.00 0.00 C ATOM 784 C ILE A 50 4.679 -3.618 -10.406 1.00 0.00 C ATOM 785 O ILE A 50 4.104 -2.675 -10.951 1.00 0.00 O ATOM 786 CB ILE A 50 6.130 -3.005 -8.470 1.00 0.00 C ATOM 787 CG1 ILE A 50 6.072 -1.504 -8.761 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.307 -3.644 -9.191 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.371 -0.706 -7.684 1.00 0.00 C ATOM 0 H ILE A 50 5.370 -5.266 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 50 3.978 -3.151 -8.430 1.00 0.00 H new ATOM 0 HB ILE A 50 6.267 -3.143 -7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.087 -1.126 -8.879 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.560 -1.346 -9.710 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.231 -3.154 -8.885 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.357 -4.703 -8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.177 -3.534 -10.268 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.368 0.349 -7.957 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.344 -1.057 -7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.895 -0.834 -6.737 1.00 0.00 H new ATOM 801 N LYS A 51 5.214 -4.628 -11.085 1.00 0.00 N ATOM 802 CA LYS A 51 5.153 -4.689 -12.540 1.00 0.00 C ATOM 803 C LYS A 51 3.707 -4.730 -13.023 1.00 0.00 C ATOM 804 O LYS A 51 3.331 -4.006 -13.945 1.00 0.00 O ATOM 805 CB LYS A 51 5.908 -5.918 -13.051 1.00 0.00 C ATOM 806 CG LYS A 51 7.392 -5.899 -12.725 1.00 0.00 C ATOM 807 CD LYS A 51 8.192 -6.719 -13.724 1.00 0.00 C ATOM 808 CE LYS A 51 9.660 -6.318 -13.725 1.00 0.00 C ATOM 809 NZ LYS A 51 10.399 -6.923 -14.867 1.00 0.00 N ATOM 0 H LYS A 51 5.695 -5.415 -10.650 1.00 0.00 H new ATOM 0 HA LYS A 51 5.624 -3.790 -12.937 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.461 -6.814 -12.620 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.783 -5.988 -14.132 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.753 -4.870 -12.725 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.550 -6.292 -11.721 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.103 -7.778 -13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.776 -6.585 -14.723 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.740 -5.232 -13.775 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.122 -6.629 -12.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.395 -6.626 -14.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.345 -7.960 -14.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.974 -6.607 -15.762 1.00 0.00 H new ATOM 823 N GLU A 52 2.902 -5.580 -12.394 1.00 0.00 N ATOM 824 CA GLU A 52 1.497 -5.714 -12.761 1.00 0.00 C ATOM 825 C GLU A 52 0.649 -4.654 -12.064 1.00 0.00 C ATOM 826 O GLU A 52 -0.448 -4.325 -12.514 1.00 0.00 O ATOM 827 CB GLU A 52 0.984 -7.110 -12.402 1.00 0.00 C ATOM 828 CG GLU A 52 1.969 -8.222 -12.722 1.00 0.00 C ATOM 829 CD GLU A 52 1.965 -8.601 -14.190 1.00 0.00 C ATOM 830 OE1 GLU A 52 2.357 -7.757 -15.023 1.00 0.00 O ATOM 831 OE2 GLU A 52 1.568 -9.742 -14.507 1.00 0.00 O ATOM 0 H GLU A 52 3.198 -6.186 -11.629 1.00 0.00 H new ATOM 0 HA GLU A 52 1.414 -5.570 -13.838 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.750 -7.139 -11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.053 -7.295 -12.939 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.972 -7.907 -12.435 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.727 -9.100 -12.123 1.00 0.00 H new ATOM 838 N PHE A 53 1.167 -4.122 -10.961 1.00 0.00 N ATOM 839 CA PHE A 53 0.458 -3.100 -10.200 1.00 0.00 C ATOM 840 C PHE A 53 -0.092 -2.017 -11.124 1.00 0.00 C ATOM 841 O PHE A 53 0.629 -1.475 -11.961 1.00 0.00 O ATOM 842 CB PHE A 53 1.387 -2.474 -9.157 1.00 0.00 C ATOM 843 CG PHE A 53 0.922 -1.133 -8.669 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.152 -1.032 -7.798 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.557 0.028 -9.080 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.582 0.202 -7.346 1.00 0.00 C ATOM 847 CE2 PHE A 53 1.132 1.264 -8.631 1.00 0.00 C ATOM 848 CZ PHE A 53 0.060 1.351 -7.764 1.00 0.00 C ATOM 0 H PHE A 53 2.075 -4.382 -10.575 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.379 -3.577 -9.691 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.474 -3.151 -8.307 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.384 -2.370 -9.586 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.658 -1.927 -7.469 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.394 -0.034 -9.759 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.419 0.267 -6.667 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.637 2.161 -8.958 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.275 2.316 -7.414 1.00 0.00 H new ATOM 858 N LYS A 54 -1.374 -1.707 -10.965 1.00 0.00 N ATOM 859 CA LYS A 54 -2.022 -0.688 -11.783 1.00 0.00 C ATOM 860 C LYS A 54 -2.252 0.588 -10.980 1.00 0.00 C ATOM 861 O LYS A 54 -1.694 1.640 -11.295 1.00 0.00 O ATOM 862 CB LYS A 54 -3.355 -1.211 -12.323 1.00 0.00 C ATOM 863 CG LYS A 54 -3.899 -0.402 -13.487 1.00 0.00 C ATOM 864 CD LYS A 54 -5.287 -0.870 -13.892 1.00 0.00 C ATOM 865 CE LYS A 54 -6.101 0.261 -14.502 1.00 0.00 C ATOM 866 NZ LYS A 54 -7.309 -0.245 -15.210 1.00 0.00 N ATOM 0 H LYS A 54 -1.985 -2.147 -10.277 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.364 -0.456 -12.620 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.228 -2.246 -12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.089 -1.211 -11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.935 0.652 -13.213 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.223 -0.487 -14.338 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.202 -1.686 -14.609 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.808 -1.265 -13.020 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.404 0.955 -13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.479 0.821 -15.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.837 0.556 -15.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.019 -0.887 -15.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.916 -0.758 -14.539 1.00 0.00 H new ATOM 880 N TYR A 55 -3.075 0.489 -9.943 1.00 0.00 N ATOM 881 CA TYR A 55 -3.379 1.637 -9.096 1.00 0.00 C ATOM 882 C TYR A 55 -3.727 1.191 -7.679 1.00 0.00 C ATOM 883 O TYR A 55 -3.836 -0.003 -7.401 1.00 0.00 O ATOM 884 CB TYR A 55 -4.538 2.441 -9.688 1.00 0.00 C ATOM 885 CG TYR A 55 -5.808 1.639 -9.858 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.716 1.510 -8.814 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.100 1.010 -11.062 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.877 0.777 -8.964 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.260 0.277 -11.221 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.145 0.163 -10.169 1.00 0.00 C ATOM 891 OH TYR A 55 -9.301 -0.568 -10.324 1.00 0.00 O ATOM 0 H TYR A 55 -3.544 -0.374 -9.668 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.492 2.269 -9.052 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.742 3.296 -9.044 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.236 2.837 -10.658 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.510 1.991 -7.869 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.409 1.096 -11.887 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.571 0.685 -8.142 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.473 -0.204 -12.164 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.338 -0.933 -11.233 1.00 0.00 H new ATOM 901 N ALA A 56 -3.900 2.161 -6.787 1.00 0.00 N ATOM 902 CA ALA A 56 -4.239 1.870 -5.399 1.00 0.00 C ATOM 903 C ALA A 56 -5.365 2.773 -4.908 1.00 0.00 C ATOM 904 O ALA A 56 -5.361 3.979 -5.156 1.00 0.00 O ATOM 905 CB ALA A 56 -3.011 2.025 -4.513 1.00 0.00 C ATOM 0 H ALA A 56 -3.811 3.154 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.586 0.838 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.278 1.805 -3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.235 1.334 -4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.639 3.047 -4.582 1.00 0.00 H new ATOM 911 N LEU A 57 -6.329 2.182 -4.211 1.00 0.00 N ATOM 912 CA LEU A 57 -7.464 2.933 -3.685 1.00 0.00 C ATOM 913 C LEU A 57 -7.328 3.142 -2.180 1.00 0.00 C ATOM 914 O LEU A 57 -7.846 2.358 -1.384 1.00 0.00 O ATOM 915 CB LEU A 57 -8.772 2.203 -3.994 1.00 0.00 C ATOM 916 CG LEU A 57 -8.909 1.642 -5.410 1.00 0.00 C ATOM 917 CD1 LEU A 57 -9.977 0.561 -5.455 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.233 2.756 -6.395 1.00 0.00 C ATOM 0 H LEU A 57 -6.348 1.185 -3.997 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.478 3.909 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.882 1.381 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.599 2.890 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.957 1.195 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.060 0.174 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.703 -0.249 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.934 0.982 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.327 2.339 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.171 3.232 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.433 3.496 -6.383 1.00 0.00 H new ATOM 930 N VAL A 58 -6.630 4.206 -1.796 1.00 0.00 N ATOM 931 CA VAL A 58 -6.429 4.520 -0.386 1.00 0.00 C ATOM 932 C VAL A 58 -7.722 5.008 0.258 1.00 0.00 C ATOM 933 O VAL A 58 -8.470 5.783 -0.338 1.00 0.00 O ATOM 934 CB VAL A 58 -5.340 5.593 -0.200 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.212 5.977 1.266 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.009 5.101 -0.749 1.00 0.00 C ATOM 0 H VAL A 58 -6.194 4.865 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.109 3.599 0.101 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.632 6.482 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.438 6.736 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.163 6.373 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.944 5.097 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.251 5.871 -0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.709 4.197 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.112 4.882 -1.812 1.00 0.00 H new ATOM 946 N TRP A 59 -7.978 4.549 1.477 1.00 0.00 N ATOM 947 CA TRP A 59 -9.182 4.939 2.204 1.00 0.00 C ATOM 948 C TRP A 59 -8.831 5.502 3.576 1.00 0.00 C ATOM 949 O TRP A 59 -8.744 4.765 4.557 1.00 0.00 O ATOM 950 CB TRP A 59 -10.121 3.741 2.355 1.00 0.00 C ATOM 951 CG TRP A 59 -10.813 3.365 1.080 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.880 3.997 0.509 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.488 2.267 0.220 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.238 3.359 -0.654 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.398 2.295 -0.854 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.515 1.265 0.252 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.363 1.359 -1.884 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.481 0.336 -0.771 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.400 0.389 -1.828 1.00 0.00 C ATOM 0 H TRP A 59 -7.369 3.907 1.984 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.686 5.717 1.631 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.551 2.885 2.717 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.870 3.969 3.113 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.371 4.870 0.912 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.005 3.633 -1.269 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.802 1.217 1.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.071 1.397 -2.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.734 -0.444 -0.756 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.347 -0.350 -2.613 1.00 0.00 H new ATOM 970 N GLY A 60 -8.630 6.815 3.639 1.00 0.00 N ATOM 971 CA GLY A 60 -8.291 7.455 4.896 1.00 0.00 C ATOM 972 C GLY A 60 -8.041 8.942 4.742 1.00 0.00 C ATOM 973 O GLY A 60 -8.472 9.553 3.763 1.00 0.00 O ATOM 0 H GLY A 60 -8.696 7.447 2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.100 7.298 5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.402 6.982 5.313 1.00 0.00 H new ATOM 977 N LEU A 61 -7.345 9.527 5.711 1.00 0.00 N ATOM 978 CA LEU A 61 -7.040 10.953 5.679 1.00 0.00 C ATOM 979 C LEU A 61 -6.114 11.286 4.513 1.00 0.00 C ATOM 980 O LEU A 61 -6.309 12.283 3.819 1.00 0.00 O ATOM 981 CB LEU A 61 -6.395 11.386 6.997 1.00 0.00 C ATOM 982 CG LEU A 61 -7.344 11.565 8.182 1.00 0.00 C ATOM 983 CD1 LEU A 61 -7.719 10.216 8.775 1.00 0.00 C ATOM 984 CD2 LEU A 61 -6.713 12.458 9.241 1.00 0.00 C ATOM 0 H LEU A 61 -6.982 9.036 6.528 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.975 11.497 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.641 10.647 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.872 12.328 6.830 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.254 12.047 7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.395 10.364 9.617 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.213 9.609 8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.819 9.706 9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.403 12.574 10.077 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.787 12.004 9.595 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.497 13.436 8.811 1.00 0.00 H new ATOM 996 N SER A 62 -5.108 10.444 4.304 1.00 0.00 N ATOM 997 CA SER A 62 -4.151 10.650 3.223 1.00 0.00 C ATOM 998 C SER A 62 -4.832 11.268 2.006 1.00 0.00 C ATOM 999 O SER A 62 -4.254 12.111 1.318 1.00 0.00 O ATOM 1000 CB SER A 62 -3.495 9.323 2.835 1.00 0.00 C ATOM 1001 OG SER A 62 -2.470 9.523 1.877 1.00 0.00 O ATOM 0 H SER A 62 -4.934 9.613 4.869 1.00 0.00 H new ATOM 0 HA SER A 62 -3.383 11.338 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.080 8.846 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.248 8.646 2.431 1.00 0.00 H new ATOM 0 HG SER A 62 -2.708 9.066 1.043 1.00 0.00 H new ATOM 1007 N VAL A 63 -6.064 10.844 1.745 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.825 11.356 0.612 1.00 0.00 C ATOM 1009 C VAL A 63 -8.051 12.133 1.079 1.00 0.00 C ATOM 1010 O VAL A 63 -8.672 11.789 2.086 1.00 0.00 O ATOM 1011 CB VAL A 63 -7.278 10.217 -0.321 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -6.079 9.419 -0.810 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -8.277 9.314 0.387 1.00 0.00 C ATOM 0 H VAL A 63 -6.557 10.147 2.303 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.162 12.024 0.062 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.771 10.656 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.418 8.619 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.403 10.076 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.555 8.989 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.586 8.515 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.812 8.882 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.149 9.897 0.682 1.00 0.00 H new ATOM 1023 N LYS A 64 -8.396 13.183 0.342 1.00 0.00 N ATOM 1024 CA LYS A 64 -9.550 14.009 0.678 1.00 0.00 C ATOM 1025 C LYS A 64 -10.850 13.308 0.301 1.00 0.00 C ATOM 1026 O LYS A 64 -11.817 13.317 1.063 1.00 0.00 O ATOM 1027 CB LYS A 64 -9.460 15.360 -0.035 1.00 0.00 C ATOM 1028 CG LYS A 64 -8.734 16.425 0.768 1.00 0.00 C ATOM 1029 CD LYS A 64 -7.247 16.128 0.870 1.00 0.00 C ATOM 1030 CE LYS A 64 -6.930 15.285 2.096 1.00 0.00 C ATOM 1031 NZ LYS A 64 -5.474 14.989 2.204 1.00 0.00 N ATOM 0 H LYS A 64 -7.892 13.483 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.547 14.173 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.949 15.225 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.467 15.710 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.880 17.398 0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.164 16.484 1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.917 15.605 -0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.690 17.064 0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.262 15.809 2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.488 14.350 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.172 15.089 3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.293 14.016 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.939 15.655 1.610 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.867 12.698 -0.881 1.00 0.00 N ATOM 1046 CA HIS A 65 -12.049 11.989 -1.358 1.00 0.00 C ATOM 1047 C HIS A 65 -11.700 10.559 -1.759 1.00 0.00 C ATOM 1048 O HIS A 65 -10.980 10.335 -2.731 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.667 12.728 -2.546 1.00 0.00 C ATOM 1050 CG HIS A 65 -13.094 14.127 -2.225 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.852 14.448 -1.119 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -12.862 15.294 -2.871 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -14.070 15.751 -1.100 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -13.480 16.287 -2.152 1.00 0.00 N ATOM 0 H HIS A 65 -10.076 12.681 -1.525 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.774 11.953 -0.545 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.945 12.756 -3.362 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.530 12.166 -2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.296 15.420 -3.782 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.635 16.286 -0.351 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -13.483 17.278 -2.392 1.00 0.00 H new ATOM 1063 N ASN A 66 -12.216 9.595 -1.004 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.957 8.187 -1.280 1.00 0.00 C ATOM 1065 C ASN A 66 -13.218 7.491 -1.785 1.00 0.00 C ATOM 1066 O ASN A 66 -14.342 7.906 -1.501 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.444 7.485 -0.021 1.00 0.00 C ATOM 1068 CG ASN A 66 -12.286 7.799 1.201 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -13.083 8.738 1.194 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -12.114 7.013 2.257 1.00 0.00 N ATOM 0 H ASN A 66 -12.816 9.763 -0.196 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.195 8.129 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.437 6.408 -0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.413 7.786 0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.654 7.176 3.107 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.442 6.246 2.218 1.00 0.00 H new ATOM 1077 N PRO A 67 -13.028 6.408 -2.553 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.695 5.906 -2.898 1.00 0.00 C ATOM 1079 C PRO A 67 -10.956 6.834 -3.856 1.00 0.00 C ATOM 1080 O PRO A 67 -11.563 7.440 -4.738 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.985 4.563 -3.572 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.368 4.699 -4.109 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.101 5.590 -3.143 1.00 0.00 C ATOM 0 HA PRO A 67 -11.050 5.829 -2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.270 4.357 -4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.916 3.740 -2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.358 5.133 -5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.853 3.726 -4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.844 6.206 -3.649 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.629 5.012 -2.385 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.643 6.940 -3.675 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.822 7.795 -4.524 1.00 0.00 C ATOM 1093 C GLN A 68 -7.811 6.970 -5.313 1.00 0.00 C ATOM 1094 O GLN A 68 -7.122 6.115 -4.756 1.00 0.00 O ATOM 1095 CB GLN A 68 -8.095 8.842 -3.678 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.344 9.875 -4.503 1.00 0.00 C ATOM 1097 CD GLN A 68 -7.191 11.199 -3.780 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -8.147 11.964 -3.653 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.983 11.476 -3.302 1.00 0.00 N ATOM 0 H GLN A 68 -9.126 6.445 -2.949 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.480 8.302 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.820 9.353 -3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.392 8.337 -3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.357 9.486 -4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.872 10.037 -5.443 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.219 10.812 -3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.819 12.352 -2.807 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.727 7.230 -6.613 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.800 6.513 -7.479 1.00 0.00 C ATOM 1110 C LYS A 69 -5.374 7.021 -7.290 1.00 0.00 C ATOM 1111 O LYS A 69 -5.082 8.190 -7.543 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.216 6.666 -8.944 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.851 5.471 -9.808 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.970 4.443 -9.839 1.00 0.00 C ATOM 1115 CE LYS A 69 -7.997 3.688 -11.159 1.00 0.00 C ATOM 1116 NZ LYS A 69 -9.139 2.734 -11.230 1.00 0.00 N ATOM 0 H LYS A 69 -8.291 7.933 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.831 5.458 -7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.294 6.823 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.745 7.559 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.636 5.807 -10.822 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.941 5.008 -9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.841 3.738 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.927 4.941 -9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.066 4.399 -11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.061 3.144 -11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.776 1.760 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.746 2.856 -10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.693 2.920 -12.090 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.489 6.135 -6.844 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.093 6.493 -6.623 1.00 0.00 C ATOM 1132 C VAL A 70 -2.162 5.608 -7.444 1.00 0.00 C ATOM 1133 O VAL A 70 -2.591 4.618 -8.034 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.713 6.378 -5.134 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.615 7.258 -4.283 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.784 4.928 -4.678 1.00 0.00 C ATOM 0 H VAL A 70 -4.714 5.164 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.978 7.529 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.687 6.725 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.332 7.164 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.509 8.297 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.652 6.945 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.513 4.864 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.798 4.553 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.092 4.327 -5.268 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.884 5.973 -7.476 1.00 0.00 N ATOM 1147 CA GLY A 71 0.089 5.202 -8.228 1.00 0.00 C ATOM 1148 C GLY A 71 1.038 4.433 -7.330 1.00 0.00 C ATOM 1149 O GLY A 71 0.646 3.952 -6.266 1.00 0.00 O ATOM 0 H GLY A 71 -0.505 6.789 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.433 4.504 -8.883 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.662 5.872 -8.869 1.00 0.00 H new ATOM 1153 N LYS A 72 2.290 4.315 -7.759 1.00 0.00 N ATOM 1154 CA LYS A 72 3.299 3.599 -6.987 1.00 0.00 C ATOM 1155 C LYS A 72 4.127 4.565 -6.145 1.00 0.00 C ATOM 1156 O LYS A 72 4.709 4.178 -5.132 1.00 0.00 O ATOM 1157 CB LYS A 72 4.215 2.804 -7.920 1.00 0.00 C ATOM 1158 CG LYS A 72 5.075 3.678 -8.817 1.00 0.00 C ATOM 1159 CD LYS A 72 6.386 4.049 -8.144 1.00 0.00 C ATOM 1160 CE LYS A 72 7.485 4.302 -9.164 1.00 0.00 C ATOM 1161 NZ LYS A 72 8.836 4.300 -8.537 1.00 0.00 N ATOM 0 H LYS A 72 2.630 4.706 -8.637 1.00 0.00 H new ATOM 0 HA LYS A 72 2.786 2.909 -6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.863 2.164 -7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.606 2.148 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.280 3.153 -9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.528 4.585 -9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.243 4.940 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.690 3.247 -7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.444 3.537 -9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.313 5.261 -9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.557 4.476 -9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.885 5.046 -7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.011 3.376 -8.093 1.00 0.00 H new ATOM 1175 N ASP A 73 4.174 5.822 -6.571 1.00 0.00 N ATOM 1176 CA ASP A 73 4.929 6.844 -5.855 1.00 0.00 C ATOM 1177 C ASP A 73 4.132 7.376 -4.668 1.00 0.00 C ATOM 1178 O ASP A 73 4.698 7.927 -3.723 1.00 0.00 O ATOM 1179 CB ASP A 73 5.293 7.993 -6.797 1.00 0.00 C ATOM 1180 CG ASP A 73 6.467 7.655 -7.695 1.00 0.00 C ATOM 1181 OD1 ASP A 73 7.570 7.410 -7.163 1.00 0.00 O ATOM 1182 OD2 ASP A 73 6.283 7.636 -8.929 1.00 0.00 O ATOM 0 H ASP A 73 3.698 6.158 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 73 5.845 6.388 -5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.429 8.242 -7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.532 8.879 -6.209 1.00 0.00 H new ATOM 1187 N HIS A 74 2.814 7.210 -4.724 1.00 0.00 N ATOM 1188 CA HIS A 74 1.939 7.674 -3.653 1.00 0.00 C ATOM 1189 C HIS A 74 2.421 7.164 -2.298 1.00 0.00 C ATOM 1190 O HIS A 74 2.426 5.959 -2.042 1.00 0.00 O ATOM 1191 CB HIS A 74 0.503 7.213 -3.904 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.416 7.461 -2.748 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -1.165 8.611 -2.615 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.706 6.698 -1.668 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.875 8.546 -1.503 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.615 7.395 -0.910 1.00 0.00 N ATOM 0 H HIS A 74 2.329 6.758 -5.499 1.00 0.00 H new ATOM 0 HA HIS A 74 1.966 8.764 -3.641 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.114 7.726 -4.783 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.507 6.147 -4.132 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -1.170 9.391 -3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.299 5.723 -1.444 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.553 9.305 -1.141 1.00 0.00 H new ATOM 1205 N THR A 75 2.826 8.089 -1.433 1.00 0.00 N ATOM 1206 CA THR A 75 3.311 7.733 -0.106 1.00 0.00 C ATOM 1207 C THR A 75 2.181 7.199 0.768 1.00 0.00 C ATOM 1208 O THR A 75 1.132 7.831 0.898 1.00 0.00 O ATOM 1209 CB THR A 75 3.961 8.940 0.597 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.898 9.572 -0.283 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.668 8.507 1.872 1.00 0.00 C ATOM 0 H THR A 75 2.828 9.090 -1.628 1.00 0.00 H new ATOM 0 HA THR A 75 4.061 6.954 -0.242 1.00 0.00 H new ATOM 0 HB THR A 75 3.174 9.647 0.859 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.306 10.339 0.170 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.119 9.376 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.947 8.052 2.551 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.445 7.782 1.629 1.00 0.00 H new ATOM 1219 N LEU A 76 2.402 6.033 1.365 1.00 0.00 N ATOM 1220 CA LEU A 76 1.402 5.414 2.228 1.00 0.00 C ATOM 1221 C LEU A 76 1.335 6.122 3.578 1.00 0.00 C ATOM 1222 O LEU A 76 2.341 6.629 4.074 1.00 0.00 O ATOM 1223 CB LEU A 76 1.722 3.933 2.431 1.00 0.00 C ATOM 1224 CG LEU A 76 1.241 2.985 1.332 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.974 1.655 1.415 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.263 2.774 1.431 1.00 0.00 C ATOM 0 H LEU A 76 3.264 5.497 1.267 1.00 0.00 H new ATOM 0 HA LEU A 76 0.431 5.506 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.802 3.825 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.283 3.613 3.376 1.00 0.00 H new ATOM 0 HG LEU A 76 1.462 3.438 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.618 0.994 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.044 1.821 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.785 1.196 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.588 2.097 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.507 2.343 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.773 3.731 1.321 1.00 0.00 H new ATOM 1238 N GLU A 77 0.144 6.149 4.168 1.00 0.00 N ATOM 1239 CA GLU A 77 -0.053 6.793 5.461 1.00 0.00 C ATOM 1240 C GLU A 77 -0.447 5.771 6.523 1.00 0.00 C ATOM 1241 O GLU A 77 -1.207 4.840 6.253 1.00 0.00 O ATOM 1242 CB GLU A 77 -1.128 7.877 5.357 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.769 9.001 4.400 1.00 0.00 C ATOM 1244 CD GLU A 77 -1.491 10.295 4.722 1.00 0.00 C ATOM 1245 OE1 GLU A 77 -2.483 10.248 5.479 1.00 0.00 O ATOM 1246 OE2 GLU A 77 -1.064 11.354 4.216 1.00 0.00 O ATOM 0 H GLU A 77 -0.698 5.733 3.771 1.00 0.00 H new ATOM 0 HA GLU A 77 0.890 7.253 5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.063 7.420 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.305 8.297 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.307 9.172 4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.012 8.698 3.382 1.00 0.00 H new ATOM 1253 N ASP A 78 0.076 5.950 7.731 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.220 5.045 8.835 1.00 0.00 C ATOM 1255 C ASP A 78 -1.726 4.915 9.043 1.00 0.00 C ATOM 1256 O ASP A 78 -2.479 5.855 8.790 1.00 0.00 O ATOM 1257 CB ASP A 78 0.444 5.540 10.121 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.167 6.832 10.627 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -1.241 6.772 11.262 1.00 0.00 O ATOM 1260 OD2 ASP A 78 0.430 7.902 10.390 1.00 0.00 O ATOM 0 H ASP A 78 0.708 6.714 7.970 1.00 0.00 H new ATOM 0 HA ASP A 78 0.180 4.063 8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.355 4.773 10.891 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.509 5.690 9.942 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.156 3.745 9.503 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.573 3.493 9.742 1.00 0.00 C ATOM 1267 C GLU A 79 -4.404 3.851 8.514 1.00 0.00 C ATOM 1268 O GLU A 79 -5.364 4.616 8.602 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.059 4.294 10.952 1.00 0.00 C ATOM 1270 CG GLU A 79 -3.235 4.062 12.207 1.00 0.00 C ATOM 1271 CD GLU A 79 -3.974 4.457 13.471 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -4.361 5.639 13.586 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -4.164 3.586 14.345 1.00 0.00 O ATOM 0 H GLU A 79 -1.545 2.957 9.718 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.697 2.429 9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.039 5.356 10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.097 4.033 11.156 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.958 3.009 12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.308 4.632 12.139 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.027 3.293 7.369 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.737 3.552 6.122 1.00 0.00 C ATOM 1282 C ASP A 80 -4.908 2.268 5.317 1.00 0.00 C ATOM 1283 O ASP A 80 -4.019 1.416 5.290 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.988 4.594 5.290 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.916 5.418 4.420 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -6.120 5.091 4.364 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.439 6.388 3.794 1.00 0.00 O ATOM 0 H ASP A 80 -3.234 2.658 7.279 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.726 3.939 6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.435 5.257 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.254 4.092 4.659 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.057 2.134 4.661 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.344 0.954 3.855 1.00 0.00 C ATOM 1294 C VAL A 81 -6.063 1.214 2.380 1.00 0.00 C ATOM 1295 O VAL A 81 -6.387 2.279 1.854 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.810 0.508 4.016 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.088 -0.728 3.174 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.130 0.248 5.480 1.00 0.00 C ATOM 0 H VAL A 81 -6.804 2.829 4.672 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.688 0.160 4.212 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.456 1.312 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.128 -1.028 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.901 -0.503 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.435 -1.540 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.169 -0.066 5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.477 -0.537 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.973 1.161 6.054 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.458 0.234 1.717 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.134 0.356 0.301 1.00 0.00 C ATOM 1310 C ILE A 82 -5.479 -0.923 -0.454 1.00 0.00 C ATOM 1311 O ILE A 82 -5.448 -2.016 0.111 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.643 0.678 0.090 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.350 0.895 -1.396 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.776 -0.441 0.648 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.914 1.273 -1.680 1.00 0.00 C ATOM 0 H ILE A 82 -5.182 -0.653 2.138 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.733 1.178 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.406 1.597 0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.592 -0.016 -1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.005 1.678 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.725 -0.199 0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.968 -0.552 1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.014 -1.374 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.779 1.411 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.673 2.201 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.253 0.480 -1.330 1.00 0.00 H new ATOM 1327 N GLN A 83 -5.805 -0.778 -1.735 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.154 -1.922 -2.568 1.00 0.00 C ATOM 1329 C GLN A 83 -5.207 -2.038 -3.758 1.00 0.00 C ATOM 1330 O GLN A 83 -5.142 -1.144 -4.601 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.597 -1.801 -3.060 1.00 0.00 C ATOM 1332 CG GLN A 83 -7.947 -2.781 -4.168 1.00 0.00 C ATOM 1333 CD GLN A 83 -9.424 -3.122 -4.200 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -10.089 -3.151 -3.165 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -9.945 -3.382 -5.394 1.00 0.00 N ATOM 0 H GLN A 83 -5.834 0.120 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.059 -2.823 -1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.273 -1.959 -2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.766 -0.785 -3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.655 -2.357 -5.129 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.370 -3.696 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.356 -3.346 -6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.934 -3.617 -5.479 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.474 -3.145 -3.819 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.531 -3.378 -4.906 1.00 0.00 C ATOM 1346 C ILE A 84 -4.204 -4.092 -6.073 1.00 0.00 C ATOM 1347 O ILE A 84 -4.534 -5.275 -5.984 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.324 -4.211 -4.435 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.627 -3.520 -3.261 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.350 -4.427 -5.584 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -0.954 -2.219 -3.638 1.00 0.00 C ATOM 0 H ILE A 84 -4.515 -3.894 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.180 -2.400 -5.235 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.681 -5.184 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.359 -3.327 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.882 -4.197 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.502 -5.017 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.853 -4.957 -6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.996 -3.462 -5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.481 -1.785 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.198 -2.408 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.698 -1.525 -4.029 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.402 -3.366 -7.169 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.032 -3.931 -8.356 1.00 0.00 C ATOM 1365 C VAL A 85 -4.013 -4.149 -9.468 1.00 0.00 C ATOM 1366 O VAL A 85 -3.285 -3.231 -9.848 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.160 -3.021 -8.879 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -5.710 -1.568 -8.896 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -6.603 -3.466 -10.265 1.00 0.00 C ATOM 0 H VAL A 85 -4.135 -2.386 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.456 -4.891 -8.063 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.012 -3.104 -8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.520 -0.941 -9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.445 -1.257 -7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.842 -1.464 -9.547 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.400 -2.813 -10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.758 -3.413 -10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.969 -4.492 -10.218 1.00 0.00 H new ATOM 1379 N LYS A 86 -3.966 -5.371 -9.989 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.037 -5.711 -11.060 1.00 0.00 C ATOM 1381 C LYS A 86 -3.707 -5.579 -12.424 1.00 0.00 C ATOM 1382 O LYS A 86 -4.840 -6.020 -12.616 1.00 0.00 O ATOM 1383 CB LYS A 86 -2.512 -7.137 -10.874 1.00 0.00 C ATOM 1384 CG LYS A 86 -1.856 -7.373 -9.524 1.00 0.00 C ATOM 1385 CD LYS A 86 -1.756 -8.855 -9.204 1.00 0.00 C ATOM 1386 CE LYS A 86 -1.522 -9.090 -7.720 1.00 0.00 C ATOM 1387 NZ LYS A 86 -0.927 -10.429 -7.457 1.00 0.00 N ATOM 0 H LYS A 86 -4.561 -6.142 -9.686 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.201 -5.013 -11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.338 -7.838 -10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.791 -7.355 -11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.860 -6.931 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.431 -6.870 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.672 -9.358 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.941 -9.298 -9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.861 -8.316 -7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.467 -9.001 -7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.783 -10.550 -6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.569 -11.169 -7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.013 -10.505 -7.947 1.00 0.00 H new ATOM 1401 N LYS A 87 -2.998 -4.969 -13.369 1.00 0.00 N ATOM 1402 CA LYS A 87 -3.523 -4.781 -14.716 1.00 0.00 C ATOM 1403 C LYS A 87 -4.360 -5.980 -15.147 1.00 0.00 C ATOM 1404 O LYS A 87 -4.150 -7.098 -14.676 1.00 0.00 O ATOM 1405 CB LYS A 87 -2.376 -4.564 -15.706 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.706 -3.208 -15.573 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.340 -3.193 -16.240 1.00 0.00 C ATOM 1408 CE LYS A 87 0.602 -2.214 -15.557 1.00 0.00 C ATOM 1409 NZ LYS A 87 1.860 -2.024 -16.331 1.00 0.00 N ATOM 0 H LYS A 87 -2.059 -4.597 -13.226 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.162 -3.898 -14.710 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.629 -5.345 -15.561 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.758 -4.673 -16.721 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.339 -2.443 -16.022 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.600 -2.956 -14.518 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.091 -4.194 -16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.449 -2.922 -17.290 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.102 -1.253 -15.435 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.842 -2.577 -14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.476 -1.350 -15.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.351 -2.936 -16.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.634 -1.653 -17.276 1.00 0.00 H new