USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=22 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 30:sc= 0 USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.175 USER MOD Single : A 17 LYS NZ :NH3+ 140:sc= 0.118 (180deg=-0.0415) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0676 K(o=-0.068,f=-1.6!) USER MOD Single : A 25 TYR OH : rot -15:sc= -0.744 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 36 THR OG1 : rot -80:sc= 0.469 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 42 CYS SG : rot 76:sc= -0.0354 USER MOD Single : A 43 MET CE :methyl -176:sc= 0 (180deg=-0.00223) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.981 K(o=-0.98,f=-1.6) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc=-0.00903 (180deg=-0.143) USER MOD Single : A 48 ASN :FLIP amide:sc= -1.95! C(o=-3!,f=-1.9!) 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= -0.956! USER MOD Single : A 62 SER OG : rot 180:sc= -0.18 USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.0154 (180deg=-0.146) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.17 F(o=-0.79,f=-0.17) USER MOD Single : A 68 GLN : amide:sc= -2.04 K(o=-2,f=-5.2!) USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= -0.141 (180deg=-0.781) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -3.72! C(o=-3.7!,f=-5.1!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -3.49! C(o=-3.5!,f=-11!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -122:sc= 0.0459 (180deg=-0.169) USER MOD ----------------------------------------------------------------- ATOM 106 N LYS A 10 9.136 6.019 13.012 1.00 0.00 N ATOM 107 CA LYS A 10 7.697 5.891 13.204 1.00 0.00 C ATOM 108 C LYS A 10 7.163 4.647 12.501 1.00 0.00 C ATOM 109 O LYS A 10 7.786 4.131 11.572 1.00 0.00 O ATOM 110 CB LYS A 10 6.978 7.135 12.677 1.00 0.00 C ATOM 111 CG LYS A 10 5.536 7.247 13.142 1.00 0.00 C ATOM 112 CD LYS A 10 4.906 8.554 12.692 1.00 0.00 C ATOM 113 CE LYS A 10 3.594 8.818 13.416 1.00 0.00 C ATOM 114 NZ LYS A 10 3.811 9.476 14.735 1.00 0.00 N ATOM 0 HA LYS A 10 7.506 5.794 14.273 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.524 8.023 12.997 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.000 7.123 11.587 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.960 6.410 12.749 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.497 7.178 14.229 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.597 9.376 12.878 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.730 8.523 11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.957 9.449 12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.064 7.877 13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.894 9.639 15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.397 8.863 15.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.294 10.386 14.594 1.00 0.00 H new ATOM 128 N LEU A 11 6.007 4.170 12.948 1.00 0.00 N ATOM 129 CA LEU A 11 5.388 2.987 12.361 1.00 0.00 C ATOM 130 C LEU A 11 4.196 3.371 11.491 1.00 0.00 C ATOM 131 O LEU A 11 3.432 4.275 11.830 1.00 0.00 O ATOM 132 CB LEU A 11 4.942 2.021 13.460 1.00 0.00 C ATOM 133 CG LEU A 11 6.056 1.250 14.169 1.00 0.00 C ATOM 134 CD1 LEU A 11 6.818 0.382 13.179 1.00 0.00 C ATOM 135 CD2 LEU A 11 7.002 2.209 14.877 1.00 0.00 C ATOM 0 H LEU A 11 5.479 4.585 13.716 1.00 0.00 H new ATOM 0 HA LEU A 11 6.129 2.494 11.732 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.385 2.585 14.208 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.250 1.301 13.024 1.00 0.00 H new ATOM 0 HG LEU A 11 5.602 0.600 14.917 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.607 -0.159 13.702 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.134 -0.330 12.718 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.260 1.012 12.408 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.788 1.642 15.376 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.449 2.884 14.147 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.448 2.788 15.616 1.00 0.00 H new ATOM 147 N VAL A 12 4.041 2.676 10.368 1.00 0.00 N ATOM 148 CA VAL A 12 2.939 2.942 9.451 1.00 0.00 C ATOM 149 C VAL A 12 2.230 1.651 9.055 1.00 0.00 C ATOM 150 O VAL A 12 2.721 0.892 8.220 1.00 0.00 O ATOM 151 CB VAL A 12 3.429 3.656 8.177 1.00 0.00 C ATOM 152 CG1 VAL A 12 2.286 3.828 7.188 1.00 0.00 C ATOM 153 CG2 VAL A 12 4.050 5.000 8.526 1.00 0.00 C ATOM 0 H VAL A 12 4.664 1.925 10.072 1.00 0.00 H new ATOM 0 HA VAL A 12 2.239 3.592 9.977 1.00 0.00 H new ATOM 0 HB VAL A 12 4.194 3.039 7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.651 4.334 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.891 2.850 6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.496 4.424 7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.391 5.491 7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.307 5.627 9.020 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.897 4.847 9.194 1.00 0.00 H new ATOM 163 N ARG A 13 1.072 1.410 9.661 1.00 0.00 N ATOM 164 CA ARG A 13 0.294 0.211 9.372 1.00 0.00 C ATOM 165 C ARG A 13 -0.604 0.424 8.158 1.00 0.00 C ATOM 166 O ARG A 13 -1.365 1.391 8.098 1.00 0.00 O ATOM 167 CB ARG A 13 -0.553 -0.177 10.585 1.00 0.00 C ATOM 168 CG ARG A 13 0.227 -0.910 11.664 1.00 0.00 C ATOM 169 CD ARG A 13 0.949 0.060 12.586 1.00 0.00 C ATOM 170 NE ARG A 13 0.020 0.809 13.428 1.00 0.00 N ATOM 171 CZ ARG A 13 0.404 1.722 14.314 1.00 0.00 C ATOM 172 NH1 ARG A 13 1.691 1.996 14.472 1.00 0.00 N ATOM 173 NH2 ARG A 13 -0.501 2.362 15.044 1.00 0.00 N ATOM 0 H ARG A 13 0.652 2.029 10.355 1.00 0.00 H new ATOM 0 HA ARG A 13 0.990 -0.598 9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.991 0.724 11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.379 -0.807 10.254 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.453 -1.531 12.248 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.951 -1.580 11.200 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.647 -0.491 13.217 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.539 0.756 11.990 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.978 0.621 13.331 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.389 1.506 13.913 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.983 2.697 15.153 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.492 2.153 14.925 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.205 3.063 15.724 1.00 0.00 H new ATOM 187 N ILE A 14 -0.511 -0.484 7.192 1.00 0.00 N ATOM 188 CA ILE A 14 -1.315 -0.395 5.980 1.00 0.00 C ATOM 189 C ILE A 14 -2.255 -1.590 5.855 1.00 0.00 C ATOM 190 O ILE A 14 -1.812 -2.727 5.692 1.00 0.00 O ATOM 191 CB ILE A 14 -0.431 -0.318 4.722 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.358 0.993 4.706 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.282 -0.444 3.467 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.485 2.210 5.015 1.00 0.00 C ATOM 0 H ILE A 14 0.113 -1.290 7.226 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.902 0.520 6.058 1.00 0.00 H new ATOM 0 HB ILE A 14 0.277 -1.147 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.168 0.929 5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.818 1.119 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.642 -0.388 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.804 -1.401 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.011 0.366 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.140 3.102 4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.280 2.300 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.924 2.106 6.007 1.00 0.00 H new ATOM 206 N TYR A 15 -3.554 -1.324 5.930 1.00 0.00 N ATOM 207 CA TYR A 15 -4.557 -2.377 5.826 1.00 0.00 C ATOM 208 C TYR A 15 -4.814 -2.742 4.367 1.00 0.00 C ATOM 209 O TYR A 15 -5.533 -2.039 3.655 1.00 0.00 O ATOM 210 CB TYR A 15 -5.862 -1.935 6.490 1.00 0.00 C ATOM 211 CG TYR A 15 -5.686 -1.461 7.916 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.296 -2.342 8.918 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.910 -0.134 8.261 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.134 -1.914 10.221 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.749 0.303 9.561 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.362 -0.591 10.538 1.00 0.00 C ATOM 217 OH TYR A 15 -5.202 -0.160 11.835 1.00 0.00 O ATOM 0 H TYR A 15 -3.937 -0.388 6.062 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.176 -3.259 6.341 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.306 -1.132 5.901 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.566 -2.767 6.477 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.117 -3.379 8.673 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.215 0.568 7.499 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.830 -2.611 10.988 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.925 1.339 9.812 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.516 -0.702 12.278 1.00 0.00 H new ATOM 227 N THR A 16 -4.222 -3.848 3.927 1.00 0.00 N ATOM 228 CA THR A 16 -4.385 -4.308 2.554 1.00 0.00 C ATOM 229 C THR A 16 -5.797 -4.831 2.314 1.00 0.00 C ATOM 230 O THR A 16 -6.405 -5.437 3.196 1.00 0.00 O ATOM 231 CB THR A 16 -3.374 -5.417 2.209 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.467 -5.750 0.820 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.624 -6.659 3.051 1.00 0.00 C ATOM 0 H THR A 16 -3.625 -4.442 4.502 1.00 0.00 H new ATOM 0 HA THR A 16 -4.204 -3.448 1.909 1.00 0.00 H new ATOM 0 HB THR A 16 -2.373 -5.045 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.940 -6.557 0.641 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.898 -7.428 2.789 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.523 -6.409 4.107 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.631 -7.031 2.861 1.00 0.00 H new ATOM 241 N LYS A 17 -6.314 -4.594 1.113 1.00 0.00 N ATOM 242 CA LYS A 17 -7.654 -5.043 0.754 1.00 0.00 C ATOM 243 C LYS A 17 -7.636 -5.812 -0.563 1.00 0.00 C ATOM 244 O LYS A 17 -7.320 -5.269 -1.622 1.00 0.00 O ATOM 245 CB LYS A 17 -8.603 -3.847 0.645 1.00 0.00 C ATOM 246 CG LYS A 17 -10.070 -4.237 0.591 1.00 0.00 C ATOM 247 CD LYS A 17 -10.892 -3.210 -0.170 1.00 0.00 C ATOM 248 CE LYS A 17 -12.264 -3.755 -0.535 1.00 0.00 C ATOM 249 NZ LYS A 17 -12.193 -4.728 -1.660 1.00 0.00 N ATOM 0 H LYS A 17 -5.825 -4.093 0.371 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.009 -5.710 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.442 -3.188 1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.354 -3.277 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.171 -5.212 0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.459 -4.337 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.006 -2.311 0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.362 -2.918 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.706 -4.239 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.921 -2.930 -0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.844 -5.518 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.464 -4.255 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.222 -5.091 -1.744 1.00 0.00 H new ATOM 263 N PRO A 18 -7.984 -7.105 -0.499 1.00 0.00 N ATOM 264 CA PRO A 18 -8.017 -7.976 -1.678 1.00 0.00 C ATOM 265 C PRO A 18 -9.152 -7.617 -2.631 1.00 0.00 C ATOM 266 O PRO A 18 -9.765 -6.556 -2.512 1.00 0.00 O ATOM 267 CB PRO A 18 -8.238 -9.369 -1.084 1.00 0.00 C ATOM 268 CG PRO A 18 -8.918 -9.122 0.219 1.00 0.00 C ATOM 269 CD PRO A 18 -8.372 -7.818 0.730 1.00 0.00 C ATOM 0 HA PRO A 18 -7.108 -7.891 -2.273 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.852 -9.986 -1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.293 -9.894 -0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.999 -9.069 0.091 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.719 -9.931 0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.120 -7.264 1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.520 -7.971 1.392 1.00 0.00 H new ATOM 277 N LYS A 19 -9.427 -8.508 -3.578 1.00 0.00 N ATOM 278 CA LYS A 19 -10.489 -8.287 -4.552 1.00 0.00 C ATOM 279 C LYS A 19 -11.704 -9.155 -4.239 1.00 0.00 C ATOM 280 O LYS A 19 -12.629 -9.258 -5.042 1.00 0.00 O ATOM 281 CB LYS A 19 -9.984 -8.588 -5.965 1.00 0.00 C ATOM 282 CG LYS A 19 -9.772 -10.068 -6.232 1.00 0.00 C ATOM 283 CD LYS A 19 -9.011 -10.297 -7.527 1.00 0.00 C ATOM 284 CE LYS A 19 -8.290 -11.637 -7.520 1.00 0.00 C ATOM 285 NZ LYS A 19 -9.212 -12.764 -7.834 1.00 0.00 N ATOM 0 H LYS A 19 -8.928 -9.391 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.788 -7.240 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.698 -8.195 -6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.044 -8.060 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.223 -10.513 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.737 -10.572 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.703 -10.259 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.288 -9.494 -7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.479 -11.617 -8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.836 -11.800 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.683 -13.659 -7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.972 -12.799 -7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.626 -12.622 -8.777 1.00 0.00 H new ATOM 299 N GLY A 20 -11.694 -9.777 -3.063 1.00 0.00 N ATOM 300 CA GLY A 20 -12.800 -10.627 -2.665 1.00 0.00 C ATOM 301 C GLY A 20 -13.070 -10.566 -1.174 1.00 0.00 C ATOM 302 O GLY A 20 -14.159 -10.180 -0.750 1.00 0.00 O ATOM 0 H GLY A 20 -10.940 -9.707 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.697 -10.328 -3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.584 -11.657 -2.950 1.00 0.00 H new ATOM 306 N GLN A 21 -12.077 -10.949 -0.379 1.00 0.00 N ATOM 307 CA GLN A 21 -12.215 -10.939 1.073 1.00 0.00 C ATOM 308 C GLN A 21 -12.200 -9.511 1.611 1.00 0.00 C ATOM 309 O GLN A 21 -12.054 -8.552 0.852 1.00 0.00 O ATOM 310 CB GLN A 21 -11.091 -11.751 1.719 1.00 0.00 C ATOM 311 CG GLN A 21 -11.000 -13.179 1.205 1.00 0.00 C ATOM 312 CD GLN A 21 -10.131 -14.060 2.080 1.00 0.00 C ATOM 313 OE1 GLN A 21 -9.818 -13.709 3.218 1.00 0.00 O ATOM 314 NE2 GLN A 21 -9.735 -15.213 1.553 1.00 0.00 N ATOM 0 H GLN A 21 -11.169 -11.270 -0.715 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.173 -11.393 1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.141 -11.248 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.242 -11.771 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.002 -13.605 1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.599 -13.171 0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.018 -15.465 0.606 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.148 -15.847 2.095 1.00 0.00 H new ATOM 323 N LEU A 22 -12.352 -9.378 2.924 1.00 0.00 N ATOM 324 CA LEU A 22 -12.356 -8.067 3.564 1.00 0.00 C ATOM 325 C LEU A 22 -10.949 -7.667 3.995 1.00 0.00 C ATOM 326 O LEU A 22 -10.093 -8.509 4.266 1.00 0.00 O ATOM 327 CB LEU A 22 -13.291 -8.072 4.774 1.00 0.00 C ATOM 328 CG LEU A 22 -14.789 -8.074 4.466 1.00 0.00 C ATOM 329 CD1 LEU A 22 -15.596 -8.285 5.738 1.00 0.00 C ATOM 330 CD2 LEU A 22 -15.195 -6.777 3.783 1.00 0.00 C ATOM 0 H LEU A 22 -12.474 -10.161 3.566 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.715 -7.337 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.064 -8.949 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.067 -7.197 5.384 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.999 -8.900 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.659 -8.283 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.326 -9.242 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -15.381 -7.481 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.264 -6.796 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.970 -5.935 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.642 -6.669 2.850 1.00 0.00 H new ATOM 342 N PRO A 23 -10.703 -6.350 4.064 1.00 0.00 N ATOM 343 CA PRO A 23 -9.401 -5.808 4.465 1.00 0.00 C ATOM 344 C PRO A 23 -9.107 -6.039 5.943 1.00 0.00 C ATOM 345 O PRO A 23 -9.857 -5.594 6.812 1.00 0.00 O ATOM 346 CB PRO A 23 -9.535 -4.311 4.174 1.00 0.00 C ATOM 347 CG PRO A 23 -10.998 -4.041 4.248 1.00 0.00 C ATOM 348 CD PRO A 23 -11.676 -5.289 3.755 1.00 0.00 C ATOM 0 HA PRO A 23 -8.579 -6.288 3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.985 -3.715 4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.135 -4.061 3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.301 -3.810 5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.268 -3.182 3.634 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.627 -5.456 4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.888 -5.236 2.687 1.00 0.00 H new ATOM 356 N ASP A 24 -8.012 -6.738 6.222 1.00 0.00 N ATOM 357 CA ASP A 24 -7.619 -7.027 7.596 1.00 0.00 C ATOM 358 C ASP A 24 -7.393 -5.737 8.379 1.00 0.00 C ATOM 359 O ASP A 24 -6.949 -4.732 7.824 1.00 0.00 O ATOM 360 CB ASP A 24 -6.350 -7.880 7.617 1.00 0.00 C ATOM 361 CG ASP A 24 -5.176 -7.187 6.953 1.00 0.00 C ATOM 362 OD1 ASP A 24 -5.410 -6.359 6.049 1.00 0.00 O ATOM 363 OD2 ASP A 24 -4.022 -7.475 7.337 1.00 0.00 O ATOM 0 H ASP A 24 -7.381 -7.115 5.515 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.428 -7.582 8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.092 -8.117 8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.543 -8.826 7.111 1.00 0.00 H new ATOM 368 N TYR A 25 -7.702 -5.774 9.670 1.00 0.00 N ATOM 369 CA TYR A 25 -7.536 -4.607 10.529 1.00 0.00 C ATOM 370 C TYR A 25 -6.840 -4.985 11.833 1.00 0.00 C ATOM 371 O TYR A 25 -6.750 -4.179 12.760 1.00 0.00 O ATOM 372 CB TYR A 25 -8.894 -3.971 10.829 1.00 0.00 C ATOM 373 CG TYR A 25 -9.573 -3.389 9.609 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.270 -2.107 9.167 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.516 -4.121 8.899 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.888 -1.571 8.054 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.138 -3.593 7.784 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.820 -2.318 7.366 1.00 0.00 C ATOM 379 OH TYR A 25 -11.438 -1.788 6.256 1.00 0.00 O ATOM 0 H TYR A 25 -8.069 -6.599 10.145 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.913 -3.885 10.001 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.547 -4.722 11.274 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.761 -3.184 11.571 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.539 -1.520 9.703 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.767 -5.120 9.224 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.642 -0.572 7.725 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.869 -4.175 7.243 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.293 -0.819 6.232 1.00 0.00 H new ATOM 389 N THR A 26 -6.348 -6.219 11.898 1.00 0.00 N ATOM 390 CA THR A 26 -5.660 -6.706 13.087 1.00 0.00 C ATOM 391 C THR A 26 -4.280 -7.250 12.740 1.00 0.00 C ATOM 392 O THR A 26 -3.378 -7.262 13.577 1.00 0.00 O ATOM 393 CB THR A 26 -6.472 -7.809 13.793 1.00 0.00 C ATOM 394 OG1 THR A 26 -5.678 -8.424 14.814 1.00 0.00 O ATOM 395 CG2 THR A 26 -6.932 -8.863 12.797 1.00 0.00 C ATOM 0 H THR A 26 -6.414 -6.899 11.141 1.00 0.00 H new ATOM 0 HA THR A 26 -5.553 -5.856 13.761 1.00 0.00 H new ATOM 0 HB THR A 26 -7.352 -7.350 14.245 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.201 -9.123 15.259 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.503 -9.631 13.318 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.560 -8.397 12.038 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.063 -9.317 12.321 1.00 0.00 H new ATOM 403 N SER A 27 -4.121 -7.700 11.499 1.00 0.00 N ATOM 404 CA SER A 27 -2.850 -8.249 11.042 1.00 0.00 C ATOM 405 C SER A 27 -2.334 -7.485 9.826 1.00 0.00 C ATOM 406 O SER A 27 -1.975 -8.067 8.802 1.00 0.00 O ATOM 407 CB SER A 27 -3.004 -9.732 10.699 1.00 0.00 C ATOM 408 OG SER A 27 -1.771 -10.418 10.834 1.00 0.00 O ATOM 0 H SER A 27 -4.857 -7.695 10.792 1.00 0.00 H new ATOM 0 HA SER A 27 -2.126 -8.144 11.850 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.749 -10.184 11.354 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.372 -9.836 9.678 1.00 0.00 H new ATOM 0 HG SER A 27 -1.897 -11.364 10.611 1.00 0.00 H new ATOM 414 N PRO A 28 -2.297 -6.149 9.939 1.00 0.00 N ATOM 415 CA PRO A 28 -1.827 -5.275 8.860 1.00 0.00 C ATOM 416 C PRO A 28 -0.325 -5.395 8.630 1.00 0.00 C ATOM 417 O PRO A 28 0.374 -6.085 9.372 1.00 0.00 O ATOM 418 CB PRO A 28 -2.181 -3.873 9.360 1.00 0.00 C ATOM 419 CG PRO A 28 -2.218 -3.997 10.844 1.00 0.00 C ATOM 420 CD PRO A 28 -2.711 -5.388 11.131 1.00 0.00 C ATOM 0 HA PRO A 28 -2.282 -5.528 7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.439 -3.141 9.043 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.143 -3.544 8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.229 -3.837 11.274 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.880 -3.250 11.282 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.266 -5.792 12.040 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.792 -5.411 11.267 1.00 0.00 H new ATOM 428 N VAL A 29 0.167 -4.720 7.596 1.00 0.00 N ATOM 429 CA VAL A 29 1.587 -4.750 7.269 1.00 0.00 C ATOM 430 C VAL A 29 2.322 -3.573 7.902 1.00 0.00 C ATOM 431 O VAL A 29 2.065 -2.416 7.570 1.00 0.00 O ATOM 432 CB VAL A 29 1.813 -4.722 5.745 1.00 0.00 C ATOM 433 CG1 VAL A 29 1.195 -3.473 5.136 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.298 -4.802 5.426 1.00 0.00 C ATOM 0 H VAL A 29 -0.398 -4.145 6.970 1.00 0.00 H new ATOM 0 HA VAL A 29 1.985 -5.682 7.671 1.00 0.00 H new ATOM 0 HB VAL A 29 1.323 -5.591 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.365 -3.471 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.123 -3.464 5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.653 -2.588 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.440 -4.781 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.813 -3.953 5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.707 -5.729 5.828 1.00 0.00 H new ATOM 444 N VAL A 30 3.239 -3.877 8.815 1.00 0.00 N ATOM 445 CA VAL A 30 4.013 -2.845 9.494 1.00 0.00 C ATOM 446 C VAL A 30 5.218 -2.425 8.661 1.00 0.00 C ATOM 447 O VAL A 30 6.209 -3.150 8.573 1.00 0.00 O ATOM 448 CB VAL A 30 4.499 -3.325 10.875 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.076 -2.165 11.671 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.364 -3.994 11.636 1.00 0.00 C ATOM 0 H VAL A 30 3.464 -4.830 9.101 1.00 0.00 H new ATOM 0 HA VAL A 30 3.351 -1.989 9.628 1.00 0.00 H new ATOM 0 HB VAL A 30 5.290 -4.061 10.727 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.414 -2.523 12.643 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.919 -1.736 11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.309 -1.403 11.812 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.725 -4.327 12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.550 -3.283 11.775 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.003 -4.853 11.070 1.00 0.00 H new ATOM 460 N LEU A 31 5.127 -1.248 8.051 1.00 0.00 N ATOM 461 CA LEU A 31 6.211 -0.729 7.224 1.00 0.00 C ATOM 462 C LEU A 31 6.915 0.434 7.916 1.00 0.00 C ATOM 463 O LEU A 31 6.295 1.250 8.599 1.00 0.00 O ATOM 464 CB LEU A 31 5.672 -0.278 5.866 1.00 0.00 C ATOM 465 CG LEU A 31 5.022 -1.364 5.007 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.223 -0.741 3.873 1.00 0.00 C ATOM 467 CD2 LEU A 31 6.078 -2.313 4.460 1.00 0.00 C ATOM 0 H LEU A 31 4.314 -0.635 8.114 1.00 0.00 H new ATOM 0 HA LEU A 31 6.935 -1.530 7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.940 0.512 6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.493 0.162 5.300 1.00 0.00 H new ATOM 0 HG LEU A 31 4.338 -1.936 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.768 -1.529 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.442 -0.103 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.886 -0.144 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.598 -3.079 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.787 -1.755 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.606 -2.786 5.288 1.00 0.00 H new ATOM 479 N PRO A 32 8.242 0.515 7.736 1.00 0.00 N ATOM 480 CA PRO A 32 9.058 1.576 8.333 1.00 0.00 C ATOM 481 C PRO A 32 8.791 2.938 7.701 1.00 0.00 C ATOM 482 O PRO A 32 8.852 3.090 6.481 1.00 0.00 O ATOM 483 CB PRO A 32 10.492 1.124 8.044 1.00 0.00 C ATOM 484 CG PRO A 32 10.381 0.262 6.835 1.00 0.00 C ATOM 485 CD PRO A 32 9.046 -0.423 6.936 1.00 0.00 C ATOM 0 HA PRO A 32 8.843 1.708 9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.147 1.976 7.864 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.911 0.573 8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.446 0.857 5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.191 -0.466 6.799 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.606 -0.593 5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.129 -1.396 7.421 1.00 0.00 H new ATOM 493 N TYR A 33 8.496 3.925 8.539 1.00 0.00 N ATOM 494 CA TYR A 33 8.218 5.275 8.062 1.00 0.00 C ATOM 495 C TYR A 33 9.226 5.695 6.998 1.00 0.00 C ATOM 496 O TYR A 33 8.858 6.005 5.865 1.00 0.00 O ATOM 497 CB TYR A 33 8.246 6.266 9.227 1.00 0.00 C ATOM 498 CG TYR A 33 7.539 7.569 8.930 1.00 0.00 C ATOM 499 CD1 TYR A 33 8.152 8.557 8.168 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.258 7.813 9.411 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.510 9.749 7.895 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.608 9.002 9.141 1.00 0.00 C ATOM 503 CZ TYR A 33 6.239 9.967 8.384 1.00 0.00 C ATOM 504 OH TYR A 33 5.595 11.153 8.113 1.00 0.00 O ATOM 0 H TYR A 33 8.443 3.816 9.552 1.00 0.00 H new ATOM 0 HA TYR A 33 7.224 5.278 7.615 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.784 5.802 10.099 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.283 6.476 9.489 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.147 8.390 7.783 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.762 7.060 10.006 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.001 10.506 7.302 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.612 9.175 9.520 1.00 0.00 H new ATOM 0 HH TYR A 33 4.708 11.146 8.530 1.00 0.00 H new ATOM 514 N SER A 34 10.502 5.702 7.371 1.00 0.00 N ATOM 515 CA SER A 34 11.566 6.087 6.450 1.00 0.00 C ATOM 516 C SER A 34 11.280 5.570 5.043 1.00 0.00 C ATOM 517 O SER A 34 11.635 6.207 4.052 1.00 0.00 O ATOM 518 CB SER A 34 12.912 5.551 6.940 1.00 0.00 C ATOM 519 OG SER A 34 13.926 5.758 5.972 1.00 0.00 O ATOM 0 H SER A 34 10.824 5.446 8.304 1.00 0.00 H new ATOM 0 HA SER A 34 11.608 7.176 6.416 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.187 6.046 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.825 4.487 7.159 1.00 0.00 H new ATOM 0 HG SER A 34 14.777 5.408 6.310 1.00 0.00 H new ATOM 525 N ARG A 35 10.637 4.410 4.966 1.00 0.00 N ATOM 526 CA ARG A 35 10.304 3.805 3.682 1.00 0.00 C ATOM 527 C ARG A 35 8.822 3.449 3.616 1.00 0.00 C ATOM 528 O ARG A 35 8.401 2.399 4.102 1.00 0.00 O ATOM 529 CB ARG A 35 11.151 2.552 3.450 1.00 0.00 C ATOM 530 CG ARG A 35 12.637 2.839 3.311 1.00 0.00 C ATOM 531 CD ARG A 35 12.988 3.292 1.902 1.00 0.00 C ATOM 532 NE ARG A 35 12.644 4.694 1.677 1.00 0.00 N ATOM 533 CZ ARG A 35 12.709 5.285 0.489 1.00 0.00 C ATOM 534 NH1 ARG A 35 13.103 4.600 -0.575 1.00 0.00 N ATOM 535 NH2 ARG A 35 12.380 6.564 0.365 1.00 0.00 N ATOM 0 H ARG A 35 10.336 3.870 5.777 1.00 0.00 H new ATOM 0 HA ARG A 35 10.520 4.532 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.999 1.862 4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.801 2.049 2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.928 3.609 4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.206 1.943 3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 35 14.055 3.148 1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.462 2.669 1.179 1.00 0.00 H new ATOM 0 HE ARG A 35 12.337 5.249 2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.357 3.616 -0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.152 5.056 -1.486 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.077 7.094 1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.430 7.017 -0.547 1.00 0.00 H new ATOM 549 N THR A 36 8.033 4.332 3.011 1.00 0.00 N ATOM 550 CA THR A 36 6.598 4.113 2.883 1.00 0.00 C ATOM 551 C THR A 36 6.096 4.547 1.511 1.00 0.00 C ATOM 552 O THR A 36 6.073 5.737 1.194 1.00 0.00 O ATOM 553 CB THR A 36 5.814 4.874 3.969 1.00 0.00 C ATOM 554 OG1 THR A 36 6.385 6.172 4.165 1.00 0.00 O ATOM 555 CG2 THR A 36 5.824 4.106 5.282 1.00 0.00 C ATOM 0 H THR A 36 8.364 5.206 2.602 1.00 0.00 H new ATOM 0 HA THR A 36 6.429 3.043 3.007 1.00 0.00 H new ATOM 0 HB THR A 36 4.781 4.978 3.636 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.179 6.098 4.735 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.264 4.663 6.034 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.363 3.129 5.136 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.852 3.975 5.619 1.00 0.00 H new ATOM 563 N THR A 37 5.692 3.576 0.698 1.00 0.00 N ATOM 564 CA THR A 37 5.190 3.858 -0.641 1.00 0.00 C ATOM 565 C THR A 37 4.476 2.646 -1.227 1.00 0.00 C ATOM 566 O THR A 37 4.862 1.504 -0.976 1.00 0.00 O ATOM 567 CB THR A 37 6.328 4.279 -1.590 1.00 0.00 C ATOM 568 OG1 THR A 37 7.553 3.651 -1.195 1.00 0.00 O ATOM 569 CG2 THR A 37 6.503 5.790 -1.588 1.00 0.00 C ATOM 0 H THR A 37 5.703 2.586 0.944 1.00 0.00 H new ATOM 0 HA THR A 37 4.482 4.682 -0.547 1.00 0.00 H new ATOM 0 HB THR A 37 6.066 3.961 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.271 3.922 -1.804 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.312 6.063 -2.265 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.578 6.264 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.744 6.127 -0.580 1.00 0.00 H new ATOM 577 N VAL A 38 3.434 2.901 -2.011 1.00 0.00 N ATOM 578 CA VAL A 38 2.667 1.829 -2.636 1.00 0.00 C ATOM 579 C VAL A 38 3.585 0.735 -3.169 1.00 0.00 C ATOM 580 O VAL A 38 3.292 -0.453 -3.035 1.00 0.00 O ATOM 581 CB VAL A 38 1.796 2.361 -3.790 1.00 0.00 C ATOM 582 CG1 VAL A 38 0.986 1.234 -4.412 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.885 3.476 -3.299 1.00 0.00 C ATOM 0 H VAL A 38 3.101 3.840 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 38 2.020 1.412 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 38 2.452 2.771 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.377 1.629 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.662 0.472 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.338 0.791 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.277 3.840 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.235 3.095 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.490 4.293 -2.906 1.00 0.00 H new ATOM 593 N GLU A 39 4.696 1.144 -3.773 1.00 0.00 N ATOM 594 CA GLU A 39 5.657 0.197 -4.326 1.00 0.00 C ATOM 595 C GLU A 39 6.334 -0.602 -3.217 1.00 0.00 C ATOM 596 O GLU A 39 6.571 -1.802 -3.358 1.00 0.00 O ATOM 597 CB GLU A 39 6.711 0.933 -5.156 1.00 0.00 C ATOM 598 CG GLU A 39 7.374 2.083 -4.417 1.00 0.00 C ATOM 599 CD GLU A 39 8.453 2.760 -5.239 1.00 0.00 C ATOM 600 OE1 GLU A 39 9.469 2.101 -5.543 1.00 0.00 O ATOM 601 OE2 GLU A 39 8.281 3.950 -5.579 1.00 0.00 O ATOM 0 H GLU A 39 4.953 2.124 -3.892 1.00 0.00 H new ATOM 0 HA GLU A 39 5.116 -0.496 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.477 0.223 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.244 1.316 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.617 2.818 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.809 1.711 -3.489 1.00 0.00 H new ATOM 608 N ASP A 40 6.642 0.072 -2.114 1.00 0.00 N ATOM 609 CA ASP A 40 7.292 -0.575 -0.980 1.00 0.00 C ATOM 610 C ASP A 40 6.394 -1.655 -0.383 1.00 0.00 C ATOM 611 O ASP A 40 6.877 -2.674 0.112 1.00 0.00 O ATOM 612 CB ASP A 40 7.646 0.460 0.090 1.00 0.00 C ATOM 613 CG ASP A 40 8.939 1.190 -0.217 1.00 0.00 C ATOM 614 OD1 ASP A 40 9.267 1.337 -1.413 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.622 1.615 0.738 1.00 0.00 O ATOM 0 H ASP A 40 6.452 1.065 -1.981 1.00 0.00 H new ATOM 0 HA ASP A 40 8.208 -1.046 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.835 1.183 0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.733 -0.036 1.057 1.00 0.00 H new ATOM 620 N PHE A 41 5.087 -1.424 -0.432 1.00 0.00 N ATOM 621 CA PHE A 41 4.122 -2.376 0.105 1.00 0.00 C ATOM 622 C PHE A 41 4.024 -3.612 -0.784 1.00 0.00 C ATOM 623 O PHE A 41 4.020 -4.743 -0.295 1.00 0.00 O ATOM 624 CB PHE A 41 2.746 -1.720 0.239 1.00 0.00 C ATOM 625 CG PHE A 41 1.621 -2.706 0.365 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.224 -3.467 -0.722 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.960 -2.873 1.572 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.189 -4.377 -0.609 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.075 -3.781 1.691 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.462 -4.533 0.599 1.00 0.00 C ATOM 0 H PHE A 41 4.671 -0.586 -0.838 1.00 0.00 H new ATOM 0 HA PHE A 41 4.467 -2.686 1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.747 -1.068 1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.568 -1.087 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.729 -3.348 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.257 -2.287 2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.110 -4.965 -1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.581 -3.903 2.637 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.272 -5.242 0.690 1.00 0.00 H new ATOM 640 N CYS A 42 3.944 -3.388 -2.091 1.00 0.00 N ATOM 641 CA CYS A 42 3.845 -4.483 -3.049 1.00 0.00 C ATOM 642 C CYS A 42 4.979 -5.484 -2.851 1.00 0.00 C ATOM 643 O CYS A 42 4.791 -6.689 -3.013 1.00 0.00 O ATOM 644 CB CYS A 42 3.871 -3.941 -4.479 1.00 0.00 C ATOM 645 SG CYS A 42 2.335 -3.136 -4.991 1.00 0.00 S ATOM 0 H CYS A 42 3.946 -2.459 -2.511 1.00 0.00 H new ATOM 0 HA CYS A 42 2.898 -4.996 -2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.690 -3.228 -4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.084 -4.762 -5.164 1.00 0.00 H new ATOM 0 HG CYS A 42 2.263 -1.955 -4.452 1.00 0.00 H new ATOM 651 N MET A 43 6.156 -4.975 -2.502 1.00 0.00 N ATOM 652 CA MET A 43 7.321 -5.824 -2.283 1.00 0.00 C ATOM 653 C MET A 43 7.077 -6.794 -1.130 1.00 0.00 C ATOM 654 O MET A 43 7.411 -7.975 -1.218 1.00 0.00 O ATOM 655 CB MET A 43 8.555 -4.969 -1.993 1.00 0.00 C ATOM 656 CG MET A 43 8.962 -4.075 -3.153 1.00 0.00 C ATOM 657 SD MET A 43 9.547 -5.011 -4.579 1.00 0.00 S ATOM 658 CE MET A 43 8.400 -4.462 -5.840 1.00 0.00 C ATOM 0 H MET A 43 6.328 -3.979 -2.365 1.00 0.00 H new ATOM 0 HA MET A 43 7.494 -6.402 -3.191 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.360 -4.349 -1.118 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.389 -5.624 -1.740 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.111 -3.462 -3.450 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.747 -3.394 -2.824 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.588 -5.007 -6.765 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.378 -4.650 -5.509 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.534 -3.394 -6.014 1.00 0.00 H new ATOM 668 N LYS A 44 6.494 -6.286 -0.049 1.00 0.00 N ATOM 669 CA LYS A 44 6.205 -7.106 1.121 1.00 0.00 C ATOM 670 C LYS A 44 5.342 -8.306 0.745 1.00 0.00 C ATOM 671 O LYS A 44 5.565 -9.418 1.224 1.00 0.00 O ATOM 672 CB LYS A 44 5.498 -6.272 2.192 1.00 0.00 C ATOM 673 CG LYS A 44 6.450 -5.593 3.161 1.00 0.00 C ATOM 674 CD LYS A 44 7.004 -6.575 4.179 1.00 0.00 C ATOM 675 CE LYS A 44 7.352 -5.884 5.489 1.00 0.00 C ATOM 676 NZ LYS A 44 7.867 -6.845 6.503 1.00 0.00 N ATOM 0 H LYS A 44 6.212 -5.310 0.041 1.00 0.00 H new ATOM 0 HA LYS A 44 7.151 -7.472 1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.887 -5.513 1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.820 -6.915 2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.272 -5.139 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.930 -4.786 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.271 -7.360 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.893 -7.058 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.101 -5.114 5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.468 -5.382 5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.093 -6.335 7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.143 -7.566 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.726 -7.306 6.140 1.00 0.00 H new ATOM 690 N ILE A 45 4.357 -8.074 -0.117 1.00 0.00 N ATOM 691 CA ILE A 45 3.463 -9.137 -0.559 1.00 0.00 C ATOM 692 C ILE A 45 4.141 -10.033 -1.590 1.00 0.00 C ATOM 693 O ILE A 45 4.492 -11.177 -1.300 1.00 0.00 O ATOM 694 CB ILE A 45 2.167 -8.567 -1.165 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.480 -7.633 -0.167 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.232 -9.696 -1.573 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.439 -8.179 1.243 1.00 0.00 C ATOM 0 H ILE A 45 4.158 -7.160 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 45 3.214 -9.726 0.323 1.00 0.00 H new ATOM 0 HB ILE A 45 2.421 -7.993 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.000 -6.675 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.461 -7.441 -0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.320 -9.277 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.724 -10.326 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.981 -10.295 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.938 -7.464 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.894 -9.123 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.456 -8.344 1.599 1.00 0.00 H new ATOM 709 N HIS A 46 4.326 -9.504 -2.796 1.00 0.00 N ATOM 710 CA HIS A 46 4.965 -10.255 -3.870 1.00 0.00 C ATOM 711 C HIS A 46 5.983 -9.389 -4.607 1.00 0.00 C ATOM 712 O HIS A 46 5.668 -8.285 -5.053 1.00 0.00 O ATOM 713 CB HIS A 46 3.915 -10.775 -4.852 1.00 0.00 C ATOM 714 CG HIS A 46 4.310 -12.050 -5.531 1.00 0.00 C ATOM 715 ND1 HIS A 46 4.550 -12.138 -6.886 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.508 -13.294 -5.034 1.00 0.00 C ATOM 717 CE1 HIS A 46 4.877 -13.381 -7.194 1.00 0.00 C ATOM 718 NE2 HIS A 46 4.860 -14.102 -6.087 1.00 0.00 N ATOM 0 H HIS A 46 4.042 -8.559 -3.053 1.00 0.00 H new ATOM 0 HA HIS A 46 5.488 -11.102 -3.426 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.977 -10.932 -4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.728 -10.013 -5.608 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.408 -13.595 -4.002 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.117 -13.745 -8.182 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.074 -15.097 -6.025 1.00 0.00 H new ATOM 727 N LYS A 47 7.204 -9.897 -4.731 1.00 0.00 N ATOM 728 CA LYS A 47 8.269 -9.171 -5.414 1.00 0.00 C ATOM 729 C LYS A 47 7.936 -8.978 -6.890 1.00 0.00 C ATOM 730 O LYS A 47 8.636 -8.263 -7.605 1.00 0.00 O ATOM 731 CB LYS A 47 9.596 -9.920 -5.273 1.00 0.00 C ATOM 732 CG LYS A 47 9.641 -11.228 -6.045 1.00 0.00 C ATOM 733 CD LYS A 47 11.057 -11.770 -6.140 1.00 0.00 C ATOM 734 CE LYS A 47 11.778 -11.236 -7.368 1.00 0.00 C ATOM 735 NZ LYS A 47 11.262 -11.847 -8.624 1.00 0.00 N ATOM 0 H LYS A 47 7.481 -10.809 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 47 8.362 -8.189 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.405 -9.276 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.778 -10.124 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.001 -11.963 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.241 -11.074 -7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.613 -11.497 -5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.029 -12.859 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.660 -10.153 -7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.846 -11.437 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.945 -11.690 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.128 -12.869 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.352 -11.409 -8.875 1.00 0.00 H new ATOM 749 N ASN A 48 6.862 -9.620 -7.338 1.00 0.00 N ATOM 750 CA ASN A 48 6.436 -9.517 -8.729 1.00 0.00 C ATOM 751 C ASN A 48 5.009 -8.986 -8.824 1.00 0.00 C ATOM 752 O ASN A 48 4.247 -9.376 -9.708 1.00 0.00 O ATOM 753 CB ASN A 48 6.530 -10.882 -9.415 1.00 0.00 C ATOM 754 CG ASN A 48 6.006 -10.851 -10.838 1.00 0.00 C ATOM 755 OD1 ASN A 48 6.502 -9.908 -11.631 1.00 0.00 O flip ATOM 756 ND2 ASN A 48 5.166 -11.666 -11.219 1.00 0.00 N flip ATOM 0 H ASN A 48 6.271 -10.217 -6.759 1.00 0.00 H new ATOM 0 HA ASN A 48 7.100 -8.816 -9.235 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.569 -11.212 -9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.965 -11.615 -8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.813 -12.374 -10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.823 -11.634 -12.179 1.00 0.00 H new ATOM 763 N LEU A 49 4.655 -8.092 -7.907 1.00 0.00 N ATOM 764 CA LEU A 49 3.320 -7.505 -7.886 1.00 0.00 C ATOM 765 C LEU A 49 3.332 -6.103 -8.486 1.00 0.00 C ATOM 766 O LEU A 49 2.366 -5.682 -9.124 1.00 0.00 O ATOM 767 CB LEU A 49 2.786 -7.454 -6.453 1.00 0.00 C ATOM 768 CG LEU A 49 1.539 -6.597 -6.232 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.415 -7.043 -7.153 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.098 -6.664 -4.777 1.00 0.00 C ATOM 0 H LEU A 49 5.274 -7.758 -7.168 1.00 0.00 H new ATOM 0 HA LEU A 49 2.665 -8.133 -8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.564 -8.472 -6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.578 -7.081 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 49 1.785 -5.562 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.464 -6.422 -6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.733 -6.943 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.169 -8.085 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.209 -6.048 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.869 -7.697 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.899 -6.295 -4.137 1.00 0.00 H new ATOM 782 N ILE A 50 4.432 -5.386 -8.280 1.00 0.00 N ATOM 783 CA ILE A 50 4.571 -4.033 -8.804 1.00 0.00 C ATOM 784 C ILE A 50 4.459 -4.018 -10.325 1.00 0.00 C ATOM 785 O ILE A 50 4.084 -3.009 -10.922 1.00 0.00 O ATOM 786 CB ILE A 50 5.915 -3.405 -8.393 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.951 -1.925 -8.778 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.070 -4.155 -9.041 1.00 0.00 C ATOM 789 CD1 ILE A 50 4.963 -1.076 -8.009 1.00 0.00 C ATOM 0 H ILE A 50 5.240 -5.720 -7.754 1.00 0.00 H new ATOM 0 HA ILE A 50 3.759 -3.445 -8.377 1.00 0.00 H new ATOM 0 HB ILE A 50 6.019 -3.482 -7.311 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.957 -1.539 -8.611 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.746 -1.830 -9.844 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.014 -3.699 -8.741 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.052 -5.197 -8.721 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.972 -4.107 -10.126 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.044 -0.039 -8.334 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.951 -1.436 -8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.180 -1.140 -6.943 1.00 0.00 H new ATOM 801 N LYS A 51 4.786 -5.146 -10.948 1.00 0.00 N ATOM 802 CA LYS A 51 4.720 -5.265 -12.399 1.00 0.00 C ATOM 803 C LYS A 51 3.273 -5.256 -12.881 1.00 0.00 C ATOM 804 O LYS A 51 2.959 -4.674 -13.919 1.00 0.00 O ATOM 805 CB LYS A 51 5.413 -6.551 -12.858 1.00 0.00 C ATOM 806 CG LYS A 51 6.898 -6.589 -12.539 1.00 0.00 C ATOM 807 CD LYS A 51 7.646 -7.519 -13.479 1.00 0.00 C ATOM 808 CE LYS A 51 9.093 -7.085 -13.657 1.00 0.00 C ATOM 809 NZ LYS A 51 9.974 -7.642 -12.593 1.00 0.00 N ATOM 0 H LYS A 51 5.099 -5.991 -10.470 1.00 0.00 H new ATOM 0 HA LYS A 51 5.234 -4.407 -12.832 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.927 -7.404 -12.386 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.278 -6.662 -13.934 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.313 -5.584 -12.614 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.042 -6.918 -11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.615 -8.536 -13.087 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.148 -7.536 -14.448 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.452 -7.410 -14.633 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.150 -5.997 -13.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.952 -7.323 -12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.647 -7.311 -11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.940 -8.681 -12.623 1.00 0.00 H new ATOM 823 N GLU A 52 2.396 -5.903 -12.120 1.00 0.00 N ATOM 824 CA GLU A 52 0.982 -5.967 -12.470 1.00 0.00 C ATOM 825 C GLU A 52 0.214 -4.805 -11.848 1.00 0.00 C ATOM 826 O GLU A 52 -0.848 -4.416 -12.335 1.00 0.00 O ATOM 827 CB GLU A 52 0.380 -7.296 -12.009 1.00 0.00 C ATOM 828 CG GLU A 52 1.217 -8.507 -12.384 1.00 0.00 C ATOM 829 CD GLU A 52 1.210 -8.782 -13.875 1.00 0.00 C ATOM 830 OE1 GLU A 52 0.127 -9.092 -14.415 1.00 0.00 O ATOM 831 OE2 GLU A 52 2.286 -8.688 -14.502 1.00 0.00 O ATOM 0 H GLU A 52 2.640 -6.390 -11.258 1.00 0.00 H new ATOM 0 HA GLU A 52 0.899 -5.895 -13.554 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.255 -7.272 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.614 -7.404 -12.442 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.243 -8.351 -12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.840 -9.382 -11.855 1.00 0.00 H new ATOM 838 N PHE A 53 0.759 -4.254 -10.768 1.00 0.00 N ATOM 839 CA PHE A 53 0.125 -3.137 -10.077 1.00 0.00 C ATOM 840 C PHE A 53 -0.323 -2.068 -11.069 1.00 0.00 C ATOM 841 O PHE A 53 0.484 -1.531 -11.828 1.00 0.00 O ATOM 842 CB PHE A 53 1.088 -2.529 -9.055 1.00 0.00 C ATOM 843 CG PHE A 53 0.657 -1.180 -8.554 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.241 -1.070 -7.505 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.151 -0.022 -9.133 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.639 0.170 -7.042 1.00 0.00 C ATOM 847 CE2 PHE A 53 0.757 1.221 -8.673 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.140 1.317 -7.627 1.00 0.00 C ATOM 0 H PHE A 53 1.638 -4.563 -10.353 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.754 -3.516 -9.556 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.183 -3.209 -8.208 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.076 -2.441 -9.506 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.635 -1.964 -7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.851 -0.091 -9.952 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.340 0.242 -6.223 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.150 2.116 -9.131 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.450 2.287 -7.267 1.00 0.00 H new ATOM 858 N LYS A 54 -1.616 -1.763 -11.058 1.00 0.00 N ATOM 859 CA LYS A 54 -2.174 -0.758 -11.955 1.00 0.00 C ATOM 860 C LYS A 54 -2.490 0.529 -11.200 1.00 0.00 C ATOM 861 O LYS A 54 -2.285 1.629 -11.715 1.00 0.00 O ATOM 862 CB LYS A 54 -3.442 -1.292 -12.626 1.00 0.00 C ATOM 863 CG LYS A 54 -3.844 -0.516 -13.869 1.00 0.00 C ATOM 864 CD LYS A 54 -5.253 -0.870 -14.316 1.00 0.00 C ATOM 865 CE LYS A 54 -5.859 0.232 -15.171 1.00 0.00 C ATOM 866 NZ LYS A 54 -5.227 0.301 -16.517 1.00 0.00 N ATOM 0 H LYS A 54 -2.298 -2.198 -10.437 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.430 -0.537 -12.720 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.289 -2.337 -12.894 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.262 -1.264 -11.909 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.783 0.553 -13.667 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.141 -0.729 -14.675 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.233 -1.802 -14.881 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.881 -1.041 -13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.930 0.059 -15.281 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.741 1.190 -14.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.668 1.064 -17.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.210 0.491 -16.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.361 -0.605 -17.010 1.00 0.00 H new ATOM 880 N TYR A 55 -2.988 0.386 -9.977 1.00 0.00 N ATOM 881 CA TYR A 55 -3.332 1.538 -9.152 1.00 0.00 C ATOM 882 C TYR A 55 -3.642 1.110 -7.721 1.00 0.00 C ATOM 883 O TYR A 55 -3.730 -0.081 -7.422 1.00 0.00 O ATOM 884 CB TYR A 55 -4.533 2.276 -9.746 1.00 0.00 C ATOM 885 CG TYR A 55 -5.800 1.451 -9.771 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.078 0.601 -10.833 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.718 1.521 -8.730 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.235 -0.154 -10.860 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.877 0.768 -8.748 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.130 -0.067 -9.815 1.00 0.00 C ATOM 891 OH TYR A 55 -9.283 -0.819 -9.838 1.00 0.00 O ATOM 0 H TYR A 55 -3.163 -0.516 -9.535 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.473 2.209 -9.134 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.712 3.184 -9.170 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.291 2.586 -10.763 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.378 0.529 -11.652 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.523 2.175 -7.893 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.437 -0.809 -11.695 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.580 0.834 -7.931 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.805 -0.643 -9.027 1.00 0.00 H new ATOM 901 N ALA A 56 -3.806 2.090 -6.839 1.00 0.00 N ATOM 902 CA ALA A 56 -4.109 1.817 -5.440 1.00 0.00 C ATOM 903 C ALA A 56 -5.184 2.763 -4.915 1.00 0.00 C ATOM 904 O ALA A 56 -5.156 3.964 -5.189 1.00 0.00 O ATOM 905 CB ALA A 56 -2.847 1.929 -4.596 1.00 0.00 C ATOM 0 H ALA A 56 -3.734 3.081 -7.069 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.493 0.799 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.087 1.723 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.109 1.208 -4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.440 2.936 -4.682 1.00 0.00 H new ATOM 911 N LEU A 57 -6.130 2.215 -4.161 1.00 0.00 N ATOM 912 CA LEU A 57 -7.216 3.011 -3.598 1.00 0.00 C ATOM 913 C LEU A 57 -6.982 3.279 -2.114 1.00 0.00 C ATOM 914 O LEU A 57 -7.035 2.364 -1.292 1.00 0.00 O ATOM 915 CB LEU A 57 -8.553 2.295 -3.794 1.00 0.00 C ATOM 916 CG LEU A 57 -8.898 1.899 -5.230 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.081 0.944 -5.251 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.192 3.134 -6.069 1.00 0.00 C ATOM 0 H LEU A 57 -6.168 1.223 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.242 3.967 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.554 1.394 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.346 2.939 -3.415 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.037 1.388 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.312 0.673 -6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.833 0.045 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.947 1.428 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.435 2.832 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.036 3.674 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.316 3.782 -6.082 1.00 0.00 H new ATOM 930 N VAL A 58 -6.725 4.539 -1.779 1.00 0.00 N ATOM 931 CA VAL A 58 -6.487 4.929 -0.395 1.00 0.00 C ATOM 932 C VAL A 58 -7.768 5.427 0.264 1.00 0.00 C ATOM 933 O VAL A 58 -8.532 6.184 -0.335 1.00 0.00 O ATOM 934 CB VAL A 58 -5.412 6.027 -0.297 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.217 6.458 1.148 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.101 5.543 -0.899 1.00 0.00 C ATOM 0 H VAL A 58 -6.676 5.308 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.135 4.039 0.127 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.750 6.893 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.453 7.234 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.156 6.848 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.902 5.601 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.352 6.331 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.757 4.661 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.254 5.290 -1.948 1.00 0.00 H new ATOM 946 N TRP A 59 -7.997 4.998 1.500 1.00 0.00 N ATOM 947 CA TRP A 59 -9.186 5.402 2.241 1.00 0.00 C ATOM 948 C TRP A 59 -8.807 6.051 3.568 1.00 0.00 C ATOM 949 O TRP A 59 -9.540 5.951 4.551 1.00 0.00 O ATOM 950 CB TRP A 59 -10.091 4.194 2.491 1.00 0.00 C ATOM 951 CG TRP A 59 -10.865 3.771 1.279 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.985 4.367 0.773 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.577 2.660 0.423 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.411 3.693 -0.346 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.564 2.643 -0.583 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.581 1.680 0.406 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.581 1.683 -1.591 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.600 0.728 -0.595 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.594 0.735 -1.583 1.00 0.00 C ATOM 0 H TRP A 59 -7.375 4.371 2.010 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.726 6.134 1.641 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.482 3.358 2.835 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.789 4.432 3.294 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.465 5.240 1.191 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.226 3.935 -0.909 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.810 1.667 1.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.346 1.686 -2.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.836 -0.035 -0.617 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.581 -0.022 -2.353 1.00 0.00 H new ATOM 970 N GLY A 60 -7.656 6.717 3.588 1.00 0.00 N ATOM 971 CA GLY A 60 -7.200 7.373 4.800 1.00 0.00 C ATOM 972 C GLY A 60 -7.208 8.884 4.680 1.00 0.00 C ATOM 973 O GLY A 60 -7.581 9.429 3.640 1.00 0.00 O ATOM 0 H GLY A 60 -7.032 6.814 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.837 7.074 5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.190 7.036 5.034 1.00 0.00 H new ATOM 977 N LEU A 61 -6.798 9.563 5.745 1.00 0.00 N ATOM 978 CA LEU A 61 -6.761 11.021 5.755 1.00 0.00 C ATOM 979 C LEU A 61 -5.755 11.547 4.736 1.00 0.00 C ATOM 980 O LEU A 61 -5.907 12.650 4.212 1.00 0.00 O ATOM 981 CB LEU A 61 -6.403 11.532 7.152 1.00 0.00 C ATOM 982 CG LEU A 61 -7.440 11.275 8.246 1.00 0.00 C ATOM 983 CD1 LEU A 61 -7.608 9.782 8.484 1.00 0.00 C ATOM 984 CD2 LEU A 61 -7.042 11.980 9.535 1.00 0.00 C ATOM 0 H LEU A 61 -6.486 9.127 6.613 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.751 11.387 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.462 11.072 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.228 12.606 7.090 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.396 11.679 7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.350 9.619 9.266 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.940 9.302 7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.655 9.353 8.794 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.792 11.786 10.302 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.074 11.606 9.870 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.975 13.053 9.357 1.00 0.00 H new ATOM 996 N SER A 62 -4.729 10.749 4.459 1.00 0.00 N ATOM 997 CA SER A 62 -3.697 11.135 3.504 1.00 0.00 C ATOM 998 C SER A 62 -4.319 11.696 2.229 1.00 0.00 C ATOM 999 O SER A 62 -3.747 12.570 1.577 1.00 0.00 O ATOM 1000 CB SER A 62 -2.810 9.934 3.166 1.00 0.00 C ATOM 1001 OG SER A 62 -3.332 9.209 2.066 1.00 0.00 O ATOM 0 H SER A 62 -4.590 9.831 4.882 1.00 0.00 H new ATOM 0 HA SER A 62 -3.086 11.912 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.801 10.276 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.733 9.279 4.034 1.00 0.00 H new ATOM 0 HG SER A 62 -2.747 8.448 1.869 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.497 11.188 1.879 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.199 11.639 0.684 1.00 0.00 C ATOM 1009 C VAL A 63 -7.417 12.482 1.046 1.00 0.00 C ATOM 1010 O VAL A 63 -8.236 12.085 1.876 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.652 10.449 -0.183 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.460 9.814 -0.883 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.392 9.424 0.664 1.00 0.00 C ATOM 0 H VAL A 63 -5.985 10.464 2.407 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.496 12.248 0.115 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.337 10.818 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.799 8.975 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.977 10.553 -1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.748 9.458 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.705 8.590 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.732 9.058 1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.270 9.889 1.113 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.531 13.647 0.419 1.00 0.00 N ATOM 1024 CA LYS A 64 -8.650 14.547 0.673 1.00 0.00 C ATOM 1025 C LYS A 64 -9.981 13.828 0.482 1.00 0.00 C ATOM 1026 O LYS A 64 -10.831 13.827 1.373 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.576 15.761 -0.257 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.407 16.685 0.041 1.00 0.00 C ATOM 1029 CD LYS A 64 -7.704 18.113 -0.384 1.00 0.00 C ATOM 1030 CE LYS A 64 -7.343 18.347 -1.843 1.00 0.00 C ATOM 1031 NZ LYS A 64 -5.869 18.400 -2.048 1.00 0.00 N ATOM 0 H LYS A 64 -6.862 13.991 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.585 14.884 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.501 15.415 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.505 16.326 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.185 16.660 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.518 16.327 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.762 18.327 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.145 18.805 0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.766 17.550 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.791 19.281 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.662 18.838 -2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.433 18.964 -1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.481 17.435 -2.028 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.156 13.215 -0.685 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.384 12.490 -0.991 1.00 0.00 C ATOM 1047 C HIS A 65 -11.077 11.055 -1.409 1.00 0.00 C ATOM 1048 O HIS A 65 -10.043 10.783 -2.017 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.158 13.202 -2.100 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.141 14.695 -1.980 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -11.421 15.510 -2.827 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -12.763 15.519 -1.105 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -11.600 16.772 -2.477 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.410 16.805 -1.435 1.00 0.00 N ATOM 0 H HIS A 65 -9.463 13.206 -1.434 1.00 0.00 H new ATOM 0 HA HIS A 65 -11.997 12.464 -0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.737 12.919 -3.065 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.192 12.857 -2.089 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.415 15.221 -0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.159 17.630 -2.961 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.723 17.648 -0.953 1.00 0.00 H new ATOM 1063 N ASN A 66 -11.983 10.141 -1.078 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.809 8.734 -1.417 1.00 0.00 C ATOM 1065 C ASN A 66 -13.141 8.098 -1.804 1.00 0.00 C ATOM 1066 O ASN A 66 -14.216 8.599 -1.471 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.192 7.976 -0.240 1.00 0.00 C ATOM 1068 CG ASN A 66 -11.584 8.570 1.099 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -10.589 8.882 1.922 1.00 0.00 O flip ATOM 1070 ND2 ASN A 66 -12.767 8.746 1.390 1.00 0.00 N flip ATOM 0 H ASN A 66 -12.845 10.350 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.136 8.673 -2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.507 6.933 -0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.106 7.985 -0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.499 8.491 0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.016 9.146 2.295 1.00 0.00 H new ATOM 1077 N PRO A 67 -13.071 6.967 -2.522 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.798 6.362 -2.923 1.00 0.00 C ATOM 1079 C PRO A 67 -11.068 7.191 -3.975 1.00 0.00 C ATOM 1080 O PRO A 67 -11.687 7.724 -4.896 1.00 0.00 O ATOM 1081 CB PRO A 67 -12.216 5.009 -3.504 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.621 5.209 -3.958 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.230 6.193 -2.997 1.00 0.00 C ATOM 0 HA PRO A 67 -11.102 6.286 -2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.570 4.717 -4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.151 4.219 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.651 5.591 -4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.170 4.268 -3.953 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.966 6.831 -3.487 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.741 5.690 -2.176 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.751 7.295 -3.831 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.938 8.060 -4.769 1.00 0.00 C ATOM 1093 C GLN A 68 -7.947 7.155 -5.494 1.00 0.00 C ATOM 1094 O GLN A 68 -7.358 6.255 -4.894 1.00 0.00 O ATOM 1095 CB GLN A 68 -8.189 9.174 -4.037 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.155 9.880 -4.899 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.087 10.575 -4.078 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -4.902 10.257 -4.182 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -6.502 11.531 -3.255 1.00 0.00 N ATOM 0 H GLN A 68 -9.224 6.859 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.603 8.505 -5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.909 9.907 -3.674 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.694 8.753 -3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.684 9.154 -5.562 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.655 10.613 -5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.494 11.762 -3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.829 12.034 -2.677 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.767 7.399 -6.788 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.847 6.608 -7.595 1.00 0.00 C ATOM 1110 C LYS A 69 -5.418 7.123 -7.454 1.00 0.00 C ATOM 1111 O LYS A 69 -5.118 8.259 -7.820 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.269 6.640 -9.066 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.865 5.398 -9.842 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.950 4.335 -9.797 1.00 0.00 C ATOM 1115 CE LYS A 69 -7.949 3.484 -11.058 1.00 0.00 C ATOM 1116 NZ LYS A 69 -8.219 4.297 -12.276 1.00 0.00 N ATOM 0 H LYS A 69 -8.247 8.139 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.881 5.579 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.351 6.757 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.828 7.515 -9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.660 5.666 -10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.941 4.994 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.800 3.697 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.923 4.812 -9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.984 2.987 -11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.703 2.702 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.654 3.696 -13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.866 5.076 -12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.326 4.688 -12.638 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.539 6.279 -6.922 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.141 6.649 -6.735 1.00 0.00 C ATOM 1132 C VAL A 70 -2.216 5.692 -7.477 1.00 0.00 C ATOM 1133 O VAL A 70 -2.582 4.553 -7.762 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.759 6.661 -5.243 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.645 7.627 -4.472 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.849 5.259 -4.658 1.00 0.00 C ATOM 0 H VAL A 70 -4.770 5.335 -6.613 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.022 7.653 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.727 7.002 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.360 7.622 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.524 8.632 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.687 7.320 -4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.576 5.287 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.869 4.887 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.167 4.597 -5.192 1.00 0.00 H new ATOM 1146 N GLY A 71 -1.012 6.163 -7.789 1.00 0.00 N ATOM 1147 CA GLY A 71 -0.052 5.336 -8.496 1.00 0.00 C ATOM 1148 C GLY A 71 0.922 4.649 -7.559 1.00 0.00 C ATOM 1149 O GLY A 71 0.654 4.510 -6.365 1.00 0.00 O ATOM 0 H GLY A 71 -0.685 7.103 -7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.584 4.583 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.503 5.952 -9.204 1.00 0.00 H new ATOM 1153 N LYS A 72 2.055 4.215 -8.101 1.00 0.00 N ATOM 1154 CA LYS A 72 3.072 3.537 -7.307 1.00 0.00 C ATOM 1155 C LYS A 72 4.005 4.545 -6.643 1.00 0.00 C ATOM 1156 O LYS A 72 4.856 4.177 -5.833 1.00 0.00 O ATOM 1157 CB LYS A 72 3.881 2.580 -8.185 1.00 0.00 C ATOM 1158 CG LYS A 72 4.448 3.233 -9.434 1.00 0.00 C ATOM 1159 CD LYS A 72 5.708 2.529 -9.908 1.00 0.00 C ATOM 1160 CE LYS A 72 6.451 3.354 -10.948 1.00 0.00 C ATOM 1161 NZ LYS A 72 7.450 2.539 -11.692 1.00 0.00 N ATOM 0 H LYS A 72 2.292 4.321 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 72 2.567 2.966 -6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.701 2.166 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.246 1.744 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.700 3.215 -10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.670 4.280 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.362 2.340 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.447 1.559 -10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.736 3.782 -11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.955 4.187 -10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.935 3.137 -12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.147 2.151 -11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.967 1.758 -12.180 1.00 0.00 H new ATOM 1175 N ASP A 73 3.838 5.816 -6.990 1.00 0.00 N ATOM 1176 CA ASP A 73 4.664 6.877 -6.425 1.00 0.00 C ATOM 1177 C ASP A 73 3.951 7.560 -5.262 1.00 0.00 C ATOM 1178 O ASP A 73 4.482 8.490 -4.654 1.00 0.00 O ATOM 1179 CB ASP A 73 5.014 7.907 -7.501 1.00 0.00 C ATOM 1180 CG ASP A 73 6.206 7.487 -8.339 1.00 0.00 C ATOM 1181 OD1 ASP A 73 6.970 6.610 -7.885 1.00 0.00 O ATOM 1182 OD2 ASP A 73 6.373 8.035 -9.448 1.00 0.00 O ATOM 0 H ASP A 73 3.139 6.137 -7.659 1.00 0.00 H new ATOM 0 HA ASP A 73 5.584 6.428 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.152 8.057 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.226 8.865 -7.027 1.00 0.00 H new ATOM 1187 N HIS A 74 2.744 7.094 -4.959 1.00 0.00 N ATOM 1188 CA HIS A 74 1.957 7.660 -3.869 1.00 0.00 C ATOM 1189 C HIS A 74 2.457 7.155 -2.519 1.00 0.00 C ATOM 1190 O HIS A 74 2.622 5.951 -2.316 1.00 0.00 O ATOM 1191 CB HIS A 74 0.479 7.309 -4.043 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.349 7.586 -2.826 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -1.044 8.763 -2.641 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.594 6.831 -1.730 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.679 8.720 -1.483 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.422 7.557 -0.911 1.00 0.00 N ATOM 0 H HIS A 74 2.289 6.326 -5.453 1.00 0.00 H new ATOM 0 HA HIS A 74 2.071 8.744 -3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.076 7.875 -4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.392 6.253 -4.299 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -1.065 9.545 -3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.209 5.841 -1.536 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.302 9.502 -1.074 1.00 0.00 H new ATOM 1205 N THR A 75 2.697 8.083 -1.597 1.00 0.00 N ATOM 1206 CA THR A 75 3.180 7.732 -0.268 1.00 0.00 C ATOM 1207 C THR A 75 2.074 7.101 0.570 1.00 0.00 C ATOM 1208 O THR A 75 0.911 7.495 0.479 1.00 0.00 O ATOM 1209 CB THR A 75 3.730 8.965 0.473 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.869 9.486 -0.220 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.118 8.610 1.901 1.00 0.00 C ATOM 0 H THR A 75 2.564 9.083 -1.747 1.00 0.00 H new ATOM 0 HA THR A 75 3.985 7.010 -0.405 1.00 0.00 H new ATOM 0 HB THR A 75 2.946 9.722 0.503 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.211 10.271 0.257 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.504 9.497 2.404 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.242 8.242 2.435 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.887 7.837 1.888 1.00 0.00 H new ATOM 1219 N LEU A 76 2.443 6.120 1.387 1.00 0.00 N ATOM 1220 CA LEU A 76 1.482 5.435 2.243 1.00 0.00 C ATOM 1221 C LEU A 76 1.433 6.073 3.627 1.00 0.00 C ATOM 1222 O LEU A 76 2.464 6.447 4.185 1.00 0.00 O ATOM 1223 CB LEU A 76 1.843 3.953 2.364 1.00 0.00 C ATOM 1224 CG LEU A 76 1.379 3.053 1.218 1.00 0.00 C ATOM 1225 CD1 LEU A 76 2.058 1.695 1.298 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.134 2.897 1.240 1.00 0.00 C ATOM 0 H LEU A 76 3.401 5.782 1.474 1.00 0.00 H new ATOM 0 HA LEU A 76 0.496 5.527 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.926 3.869 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.420 3.571 3.293 1.00 0.00 H new ATOM 0 HG LEU A 76 1.661 3.523 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.716 1.068 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.138 1.824 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.807 1.218 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.445 2.253 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.440 2.450 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.602 3.875 1.132 1.00 0.00 H new ATOM 1238 N GLU A 77 0.228 6.191 4.177 1.00 0.00 N ATOM 1239 CA GLU A 77 0.046 6.783 5.497 1.00 0.00 C ATOM 1240 C GLU A 77 -0.349 5.721 6.519 1.00 0.00 C ATOM 1241 O GLU A 77 -0.828 4.646 6.159 1.00 0.00 O ATOM 1242 CB GLU A 77 -1.020 7.880 5.446 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.804 8.986 6.465 1.00 0.00 C ATOM 1244 CD GLU A 77 0.281 9.960 6.047 1.00 0.00 C ATOM 1245 OE1 GLU A 77 1.255 9.522 5.401 1.00 0.00 O ATOM 1246 OE2 GLU A 77 0.154 11.161 6.366 1.00 0.00 O ATOM 0 H GLU A 77 -0.636 5.885 3.729 1.00 0.00 H new ATOM 0 HA GLU A 77 0.995 7.223 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.034 8.316 4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.999 7.431 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.738 9.529 6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.540 8.544 7.425 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.144 6.032 7.795 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.479 5.105 8.870 1.00 0.00 C ATOM 1255 C ASP A 78 -1.990 4.920 8.978 1.00 0.00 C ATOM 1256 O ASP A 78 -2.757 5.852 8.737 1.00 0.00 O ATOM 1257 CB ASP A 78 0.081 5.611 10.200 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.712 5.110 11.391 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -1.734 5.742 11.730 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -0.311 4.086 11.984 1.00 0.00 O ATOM 0 H ASP A 78 0.252 6.918 8.110 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.029 4.140 8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.119 5.293 10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.081 6.701 10.200 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.409 3.712 9.339 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.827 3.405 9.476 1.00 0.00 C ATOM 1267 C GLU A 79 -4.587 3.763 8.202 1.00 0.00 C ATOM 1268 O GLU A 79 -5.577 4.494 8.241 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.423 4.160 10.667 1.00 0.00 C ATOM 1270 CG GLU A 79 -4.283 3.421 11.987 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.732 4.255 13.172 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -4.588 5.494 13.114 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -5.226 3.668 14.158 1.00 0.00 O ATOM 0 H GLU A 79 -1.786 2.930 9.542 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.925 2.333 9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.936 5.132 10.751 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.479 4.348 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.870 2.503 11.950 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.242 3.128 12.127 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.116 3.243 7.074 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.750 3.507 5.788 1.00 0.00 C ATOM 1282 C ASP A 80 -4.989 2.209 5.023 1.00 0.00 C ATOM 1283 O ASP A 80 -4.153 1.305 5.037 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.885 4.453 4.953 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.171 4.341 3.468 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -5.339 4.087 3.108 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.228 4.507 2.667 1.00 0.00 O ATOM 0 H ASP A 80 -3.298 2.636 7.024 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.714 3.980 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.058 5.479 5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.833 4.234 5.135 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.136 2.122 4.358 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.485 0.934 3.587 1.00 0.00 C ATOM 1294 C VAL A 81 -6.140 1.114 2.113 1.00 0.00 C ATOM 1295 O VAL A 81 -6.503 2.118 1.499 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.984 0.603 3.716 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.348 -0.578 2.829 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.345 0.322 5.167 1.00 0.00 C ATOM 0 H VAL A 81 -6.840 2.860 4.337 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.901 0.109 3.995 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.559 1.467 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.411 -0.797 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.128 -0.334 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.766 -1.450 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.408 0.090 5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.763 -0.526 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.123 1.200 5.774 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.439 0.135 1.552 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.046 0.185 0.149 1.00 0.00 C ATOM 1310 C ILE A 82 -5.535 -1.049 -0.602 1.00 0.00 C ATOM 1311 O ILE A 82 -5.447 -2.168 -0.099 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.517 0.294 -0.004 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.149 0.586 -1.460 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.845 -0.985 0.472 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.713 1.027 -1.643 1.00 0.00 C ATOM 0 H ILE A 82 -5.131 -0.702 2.047 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.509 1.075 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.162 1.119 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.325 -0.309 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.811 1.362 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.765 -0.893 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.086 -1.154 1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.202 -1.826 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.522 1.217 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.537 1.939 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.044 0.243 -1.289 1.00 0.00 H new ATOM 1327 N GLN A 83 -6.047 -0.835 -1.810 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.548 -1.930 -2.631 1.00 0.00 C ATOM 1329 C GLN A 83 -5.667 -2.138 -3.858 1.00 0.00 C ATOM 1330 O GLN A 83 -5.831 -1.462 -4.874 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.989 -1.653 -3.065 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.790 -2.912 -3.355 1.00 0.00 C ATOM 1333 CD GLN A 83 -8.475 -3.503 -4.715 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -7.318 -3.783 -5.030 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -9.505 -3.696 -5.530 1.00 0.00 N ATOM 0 H GLN A 83 -6.126 0.086 -2.241 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.525 -2.840 -2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.492 -1.084 -2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.977 -1.027 -3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.585 -3.655 -2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.854 -2.682 -3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.448 -3.450 -5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.354 -4.091 -6.458 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.732 -3.077 -3.757 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.825 -3.374 -4.859 1.00 0.00 C ATOM 1346 C ILE A 84 -4.566 -4.033 -6.017 1.00 0.00 C ATOM 1347 O ILE A 84 -5.045 -5.161 -5.900 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.675 -4.294 -4.409 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.715 -3.535 -3.490 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.934 -4.845 -5.618 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.139 -2.285 -4.118 1.00 0.00 C ATOM 0 H ILE A 84 -4.583 -3.645 -2.923 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.409 -2.423 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.096 -5.131 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.240 -3.263 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.898 -4.198 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.124 -5.493 -5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.624 -5.417 -6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.522 -4.020 -6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.468 -1.798 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.585 -2.552 -5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.948 -1.603 -4.379 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.653 -3.323 -7.137 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.333 -3.840 -8.319 1.00 0.00 C ATOM 1365 C VAL A 85 -4.334 -4.203 -9.412 1.00 0.00 C ATOM 1366 O VAL A 85 -3.362 -3.484 -9.645 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.340 -2.818 -8.879 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -6.807 -3.233 -10.267 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -7.523 -2.664 -7.935 1.00 0.00 C ATOM 0 H VAL A 85 -4.261 -2.388 -7.251 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.870 -4.736 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.842 -1.852 -8.963 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.518 -2.499 -10.646 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.950 -3.288 -10.938 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.288 -4.209 -10.212 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.225 -1.938 -8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.023 -3.626 -7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.171 -2.318 -6.963 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.580 -5.324 -10.082 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.703 -5.785 -11.152 1.00 0.00 C ATOM 1381 C LYS A 86 -4.356 -5.578 -12.516 1.00 0.00 C ATOM 1382 O LYS A 86 -5.446 -6.087 -12.778 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.360 -7.263 -10.958 1.00 0.00 C ATOM 1384 CG LYS A 86 -2.678 -7.560 -9.634 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.872 -9.009 -9.220 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.743 -9.180 -7.714 1.00 0.00 C ATOM 1387 NZ LYS A 86 -4.042 -8.961 -7.018 1.00 0.00 N ATOM 0 H LYS A 86 -5.380 -5.930 -9.903 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.785 -5.198 -11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.275 -7.852 -11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.711 -7.587 -11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.613 -7.343 -9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.079 -6.903 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.855 -9.353 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.134 -9.634 -9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.377 -10.182 -7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.003 -8.478 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.913 -9.086 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.380 -7.996 -7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.742 -9.648 -7.365 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.681 -4.829 -13.382 1.00 0.00 N ATOM 1402 CA LYS A 87 -4.193 -4.557 -14.720 1.00 0.00 C ATOM 1403 C LYS A 87 -4.554 -5.853 -15.438 1.00 0.00 C ATOM 1404 O LYS A 87 -3.750 -6.783 -15.503 1.00 0.00 O ATOM 1405 CB LYS A 87 -3.158 -3.781 -15.536 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.769 -4.395 -15.499 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.807 -3.654 -16.412 1.00 0.00 C ATOM 1408 CE LYS A 87 -0.180 -2.459 -15.709 1.00 0.00 C ATOM 1409 NZ LYS A 87 0.927 -2.869 -14.800 1.00 0.00 N ATOM 0 H LYS A 87 -2.778 -4.400 -13.181 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.095 -3.954 -14.621 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.493 -3.724 -16.572 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.104 -2.759 -15.161 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.389 -4.377 -14.477 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.825 -5.441 -15.800 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.023 -4.334 -16.745 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.336 -3.317 -17.303 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.201 -1.759 -16.453 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.944 -1.932 -15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.718 -2.550 -13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.019 -3.905 -14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.818 -2.439 -15.121 1.00 0.00 H new