USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 SER OG : rot -83:sc= 1.26 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 1.06 USER MOD Set 2.1: A 69 GLN :FLIP amide:sc= 0 F(o=0.054,f=1) USER MOD Set 2.2: A 72 THR OG1 : rot -70:sc= 1.02 USER MOD Set 3.1: A 45 GLN : amide:sc= 1.01 K(o=2.2,f=-5.6) USER MOD Set 3.2: A 47 LYS NZ :NH3+ 178:sc= 1.17 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0555) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.023) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 67:sc= 0.625 USER MOD Single : A 30 SER OG : rot 57:sc= -2.54! USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -7.48! C(o=-7.5!,f=-20!) USER MOD Single : A 63 CYS SG : rot 36:sc= -5.51! USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= 1.1 (180deg=0.656) USER MOD Single : A 88 GLN : amide:sc= -6.59 K(o=-6.6,f=-13!) USER MOD Single : A 95 LYS NZ :NH3+ -118:sc= -0.597 (180deg=-2.97!) USER MOD Single : A 96 THR OG1 : rot -70:sc= 0.327 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS :FLIP no HE2:sc= -3.86! C(o=-5.3!,f=-3.9!) USER MOD Single : A 125 LYS NZ :NH3+ -168:sc=-0.00109 (180deg=-0.0923) USER MOD Single : A 126 MET CE :methyl -131:sc= 0 (180deg=-1.63!) USER MOD Single : A 131 THR OG1 : rot 180:sc=0.000909 USER MOD Single : A 135 ASN : amide:sc= -2.21! C(o=-2.2!,f=-8.2!) USER MOD Single : A 140 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00674) USER MOD ----------------------------------------------------------------- ATOM 159 N ILE A 12 4.818 -4.209 -9.482 1.00 0.00 N ATOM 160 CA ILE A 12 3.631 -5.026 -9.435 1.00 0.00 C ATOM 161 C ILE A 12 2.419 -4.113 -9.494 1.00 0.00 C ATOM 162 O ILE A 12 2.338 -3.104 -8.788 1.00 0.00 O ATOM 163 CB ILE A 12 3.599 -5.943 -8.168 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.197 -7.369 -8.554 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.650 -5.425 -7.091 1.00 0.00 C ATOM 166 CD1 ILE A 12 4.158 -8.031 -9.512 1.00 0.00 C ATOM 0 HA ILE A 12 3.626 -5.700 -10.291 1.00 0.00 H new ATOM 0 HB ILE A 12 4.607 -5.936 -7.752 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.124 -7.974 -7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.205 -7.348 -9.005 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.668 -6.100 -6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.966 -4.431 -6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.638 -5.374 -7.492 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.809 -9.038 -9.740 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.213 -7.449 -10.432 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.147 -8.085 -9.056 1.00 0.00 H new ATOM 178 N THR A 13 1.513 -4.425 -10.384 1.00 0.00 N ATOM 179 CA THR A 13 0.332 -3.619 -10.555 1.00 0.00 C ATOM 180 C THR A 13 -0.888 -4.509 -10.467 1.00 0.00 C ATOM 181 O THR A 13 -0.926 -5.593 -11.049 1.00 0.00 O ATOM 182 CB THR A 13 0.357 -2.878 -11.901 1.00 0.00 C ATOM 183 OG1 THR A 13 1.696 -2.869 -12.422 1.00 0.00 O ATOM 184 CG2 THR A 13 -0.122 -1.445 -11.736 1.00 0.00 C ATOM 0 H THR A 13 1.571 -5.234 -11.003 1.00 0.00 H new ATOM 0 HA THR A 13 0.298 -2.868 -9.766 1.00 0.00 H new ATOM 0 HB THR A 13 -0.309 -3.396 -12.591 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.710 -2.398 -13.281 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.096 -0.939 -12.701 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.143 -1.444 -11.353 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.529 -0.922 -11.035 1.00 0.00 H new ATOM 192 N LYS A 14 -1.868 -4.056 -9.726 1.00 0.00 N ATOM 193 CA LYS A 14 -3.001 -4.877 -9.392 1.00 0.00 C ATOM 194 C LYS A 14 -4.270 -4.057 -9.487 1.00 0.00 C ATOM 195 O LYS A 14 -4.238 -2.842 -9.318 1.00 0.00 O ATOM 196 CB LYS A 14 -2.814 -5.420 -7.982 1.00 0.00 C ATOM 197 CG LYS A 14 -3.288 -6.854 -7.809 1.00 0.00 C ATOM 198 CD LYS A 14 -2.425 -7.827 -8.592 1.00 0.00 C ATOM 199 CE LYS A 14 -2.720 -9.267 -8.203 1.00 0.00 C ATOM 200 NZ LYS A 14 -1.935 -10.230 -9.018 1.00 0.00 N ATOM 0 H LYS A 14 -1.902 -3.113 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.081 -5.711 -10.089 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.758 -5.362 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.354 -4.782 -7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.268 -7.119 -6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.323 -6.938 -8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.600 -7.694 -9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.372 -7.608 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.491 -9.413 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.784 -9.467 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.085 -11.194 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.245 -10.179 -10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.924 -9.992 -8.959 1.00 0.00 H new ATOM 214 N SER A 15 -5.378 -4.703 -9.774 1.00 0.00 N ATOM 215 CA SER A 15 -6.624 -3.998 -9.915 1.00 0.00 C ATOM 216 C SER A 15 -7.700 -4.549 -8.993 1.00 0.00 C ATOM 217 O SER A 15 -7.800 -5.753 -8.750 1.00 0.00 O ATOM 218 CB SER A 15 -7.107 -4.090 -11.348 1.00 0.00 C ATOM 219 OG SER A 15 -6.029 -3.966 -12.262 1.00 0.00 O ATOM 0 H SER A 15 -5.438 -5.712 -9.913 1.00 0.00 H new ATOM 0 HA SER A 15 -6.442 -2.959 -9.640 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.611 -5.044 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.840 -3.306 -11.538 1.00 0.00 H new ATOM 0 HG SER A 15 -6.369 -4.031 -13.179 1.00 0.00 H new ATOM 225 N ILE A 16 -8.474 -3.627 -8.478 1.00 0.00 N ATOM 226 CA ILE A 16 -9.675 -3.903 -7.720 1.00 0.00 C ATOM 227 C ILE A 16 -10.720 -2.867 -8.077 1.00 0.00 C ATOM 228 O ILE A 16 -10.390 -1.726 -8.404 1.00 0.00 O ATOM 229 CB ILE A 16 -9.467 -3.857 -6.176 1.00 0.00 C ATOM 230 CG1 ILE A 16 -10.549 -3.000 -5.524 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.126 -3.265 -5.820 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.240 -3.623 -4.354 1.00 0.00 C ATOM 0 H ILE A 16 -8.282 -2.630 -8.576 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.981 -4.917 -7.979 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.519 -4.883 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.100 -2.061 -5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.297 -2.754 -6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.012 -3.247 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.333 -3.871 -6.258 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.062 -2.248 -6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.989 -2.934 -3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.726 -4.547 -4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.510 -3.843 -3.575 1.00 0.00 H new ATOM 244 N THR A 17 -11.966 -3.252 -8.041 1.00 0.00 N ATOM 245 CA THR A 17 -13.005 -2.270 -7.988 1.00 0.00 C ATOM 246 C THR A 17 -13.453 -2.120 -6.548 1.00 0.00 C ATOM 247 O THR A 17 -13.965 -3.063 -5.945 1.00 0.00 O ATOM 248 CB THR A 17 -14.193 -2.675 -8.846 1.00 0.00 C ATOM 249 OG1 THR A 17 -13.750 -2.968 -10.179 1.00 0.00 O ATOM 250 CG2 THR A 17 -15.225 -1.564 -8.868 1.00 0.00 C ATOM 0 H THR A 17 -12.280 -4.222 -8.047 1.00 0.00 H new ATOM 0 HA THR A 17 -12.618 -1.327 -8.373 1.00 0.00 H new ATOM 0 HB THR A 17 -14.653 -3.567 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.518 -3.230 -10.729 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.071 -1.865 -9.486 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.569 -1.367 -7.853 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.778 -0.660 -9.282 1.00 0.00 H new ATOM 258 N LEU A 18 -13.275 -0.933 -6.004 1.00 0.00 N ATOM 259 CA LEU A 18 -13.681 -0.657 -4.660 1.00 0.00 C ATOM 260 C LEU A 18 -15.049 -0.086 -4.754 1.00 0.00 C ATOM 261 O LEU A 18 -15.209 1.004 -5.275 1.00 0.00 O ATOM 262 CB LEU A 18 -12.777 0.387 -4.007 1.00 0.00 C ATOM 263 CG LEU A 18 -11.299 0.062 -3.919 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.520 1.328 -3.647 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.043 -0.936 -2.812 1.00 0.00 C ATOM 0 H LEU A 18 -12.846 -0.143 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.634 -1.567 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.886 1.321 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.144 0.568 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.977 -0.373 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.457 1.095 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.688 2.039 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.852 1.764 -2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.977 -1.159 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.371 -0.516 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.596 -1.853 -3.014 1.00 0.00 H new ATOM 277 N GLU A 19 -16.054 -0.797 -4.341 1.00 0.00 N ATOM 278 CA GLU A 19 -17.348 -0.193 -4.399 1.00 0.00 C ATOM 279 C GLU A 19 -17.420 0.804 -3.255 1.00 0.00 C ATOM 280 O GLU A 19 -17.850 0.486 -2.148 1.00 0.00 O ATOM 281 CB GLU A 19 -18.386 -1.301 -4.259 1.00 0.00 C ATOM 282 CG GLU A 19 -17.763 -2.686 -4.407 1.00 0.00 C ATOM 283 CD GLU A 19 -18.771 -3.811 -4.350 1.00 0.00 C ATOM 284 OE1 GLU A 19 -19.347 -4.160 -5.404 1.00 0.00 O ATOM 285 OE2 GLU A 19 -18.982 -4.365 -3.253 1.00 0.00 O ATOM 0 H GLU A 19 -16.011 -1.749 -3.977 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.536 0.329 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.871 -1.223 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -19.162 -1.169 -5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.229 -2.736 -5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.025 -2.830 -3.618 1.00 0.00 H new ATOM 292 N ALA A 20 -16.978 2.018 -3.552 1.00 0.00 N ATOM 293 CA ALA A 20 -17.007 3.108 -2.600 1.00 0.00 C ATOM 294 C ALA A 20 -17.005 4.433 -3.323 1.00 0.00 C ATOM 295 O ALA A 20 -16.668 4.493 -4.491 1.00 0.00 O ATOM 296 CB ALA A 20 -15.815 3.028 -1.673 1.00 0.00 C ATOM 0 H ALA A 20 -16.590 2.270 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.920 3.027 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.850 3.854 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.838 2.082 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.896 3.090 -2.256 1.00 0.00 H new ATOM 302 N PRO A 21 -17.306 5.520 -2.641 1.00 0.00 N ATOM 303 CA PRO A 21 -17.063 6.840 -3.186 1.00 0.00 C ATOM 304 C PRO A 21 -15.595 7.193 -3.041 1.00 0.00 C ATOM 305 O PRO A 21 -14.915 6.633 -2.172 1.00 0.00 O ATOM 306 CB PRO A 21 -17.912 7.741 -2.314 1.00 0.00 C ATOM 307 CG PRO A 21 -17.933 7.044 -0.995 1.00 0.00 C ATOM 308 CD PRO A 21 -17.874 5.568 -1.291 1.00 0.00 C ATOM 0 HA PRO A 21 -17.305 6.924 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.482 8.739 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.917 7.859 -2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -17.087 7.351 -0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.837 7.292 -0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.249 5.038 -0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.862 5.110 -1.253 1.00 0.00 H new ATOM 316 N ILE A 22 -15.102 8.106 -3.858 1.00 0.00 N ATOM 317 CA ILE A 22 -13.688 8.473 -3.811 1.00 0.00 C ATOM 318 C ILE A 22 -13.279 8.863 -2.392 1.00 0.00 C ATOM 319 O ILE A 22 -12.197 8.534 -1.919 1.00 0.00 O ATOM 320 CB ILE A 22 -13.366 9.626 -4.785 1.00 0.00 C ATOM 321 CG1 ILE A 22 -11.856 9.874 -4.799 1.00 0.00 C ATOM 322 CG2 ILE A 22 -14.140 10.885 -4.428 1.00 0.00 C ATOM 323 CD1 ILE A 22 -11.127 8.899 -5.691 1.00 0.00 C ATOM 0 H ILE A 22 -15.650 8.606 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.116 7.598 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.681 9.341 -5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.660 10.891 -5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.467 9.796 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.890 11.678 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.210 10.680 -4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.876 11.201 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.059 9.114 -5.669 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.300 7.883 -5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.495 8.995 -6.712 1.00 0.00 H new ATOM 335 N GLN A 23 -14.203 9.519 -1.726 1.00 0.00 N ATOM 336 CA GLN A 23 -14.030 10.022 -0.370 1.00 0.00 C ATOM 337 C GLN A 23 -13.766 8.926 0.677 1.00 0.00 C ATOM 338 O GLN A 23 -13.075 9.171 1.662 1.00 0.00 O ATOM 339 CB GLN A 23 -15.273 10.793 -0.004 1.00 0.00 C ATOM 340 CG GLN A 23 -16.485 9.937 -0.182 1.00 0.00 C ATOM 341 CD GLN A 23 -17.768 10.740 -0.275 1.00 0.00 C ATOM 342 OE1 GLN A 23 -18.404 11.020 0.737 1.00 0.00 O ATOM 343 NE2 GLN A 23 -18.150 11.125 -1.482 1.00 0.00 N ATOM 0 H GLN A 23 -15.122 9.726 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.140 10.652 -0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.208 11.132 1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -15.354 11.684 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -16.371 9.338 -1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.558 9.241 0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.593 10.872 -2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -19.001 11.675 -1.596 1.00 0.00 H new ATOM 352 N LYS A 24 -14.324 7.734 0.504 1.00 0.00 N ATOM 353 CA LYS A 24 -14.109 6.689 1.503 1.00 0.00 C ATOM 354 C LYS A 24 -12.772 5.990 1.274 1.00 0.00 C ATOM 355 O LYS A 24 -12.080 5.601 2.213 1.00 0.00 O ATOM 356 CB LYS A 24 -15.267 5.688 1.518 1.00 0.00 C ATOM 357 CG LYS A 24 -16.543 6.281 2.102 1.00 0.00 C ATOM 358 CD LYS A 24 -17.677 5.269 2.180 1.00 0.00 C ATOM 359 CE LYS A 24 -17.479 4.268 3.307 1.00 0.00 C ATOM 360 NZ LYS A 24 -18.612 3.306 3.387 1.00 0.00 N ATOM 0 H LYS A 24 -14.909 7.470 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.076 7.162 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.461 5.347 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.978 4.812 2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.336 6.667 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.858 7.128 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.621 5.794 2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.751 4.736 1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.548 3.723 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.383 4.799 4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.445 2.637 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.497 3.825 3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.687 2.783 2.491 1.00 0.00 H new ATOM 374 N VAL A 25 -12.398 5.867 0.018 1.00 0.00 N ATOM 375 CA VAL A 25 -11.060 5.438 -0.349 1.00 0.00 C ATOM 376 C VAL A 25 -10.054 6.511 0.066 1.00 0.00 C ATOM 377 O VAL A 25 -8.929 6.218 0.438 1.00 0.00 O ATOM 378 CB VAL A 25 -10.948 5.108 -1.848 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.731 4.231 -2.088 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.224 4.416 -2.332 1.00 0.00 C ATOM 0 H VAL A 25 -13.008 6.060 -0.776 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.835 4.513 0.182 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.828 6.032 -2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.654 3.999 -3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.833 4.758 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.832 3.306 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.133 4.187 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.371 3.492 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.078 5.075 -2.174 1.00 0.00 H new ATOM 390 N TRP A 26 -10.490 7.756 -0.018 1.00 0.00 N ATOM 391 CA TRP A 26 -9.739 8.909 0.484 1.00 0.00 C ATOM 392 C TRP A 26 -9.396 8.695 1.947 1.00 0.00 C ATOM 393 O TRP A 26 -8.301 9.006 2.395 1.00 0.00 O ATOM 394 CB TRP A 26 -10.669 10.109 0.389 1.00 0.00 C ATOM 395 CG TRP A 26 -10.060 11.435 0.114 1.00 0.00 C ATOM 396 CD1 TRP A 26 -9.171 12.160 0.854 1.00 0.00 C ATOM 397 CD2 TRP A 26 -10.389 12.216 -1.011 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.917 13.359 0.216 1.00 0.00 N ATOM 399 CE2 TRP A 26 -9.665 13.409 -0.940 1.00 0.00 C ATOM 400 CE3 TRP A 26 -11.237 11.987 -2.080 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -9.774 14.390 -1.926 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -11.353 12.937 -3.053 1.00 0.00 C ATOM 403 CH2 TRP A 26 -10.625 14.136 -2.978 1.00 0.00 C ATOM 0 H TRP A 26 -11.385 8.005 -0.440 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.821 9.051 -0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.399 9.906 -0.395 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.220 10.181 1.327 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.735 11.846 1.791 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -8.282 14.086 0.546 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.800 11.068 -2.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -9.214 15.311 -1.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.012 12.765 -3.891 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.735 14.872 -3.760 1.00 0.00 H new ATOM 414 N GLU A 27 -10.373 8.181 2.671 1.00 0.00 N ATOM 415 CA GLU A 27 -10.215 7.754 4.053 1.00 0.00 C ATOM 416 C GLU A 27 -9.284 6.539 4.148 1.00 0.00 C ATOM 417 O GLU A 27 -8.651 6.305 5.179 1.00 0.00 O ATOM 418 CB GLU A 27 -11.588 7.388 4.611 1.00 0.00 C ATOM 419 CG GLU A 27 -11.611 7.059 6.093 1.00 0.00 C ATOM 420 CD GLU A 27 -11.617 8.297 6.964 1.00 0.00 C ATOM 421 OE1 GLU A 27 -12.705 8.875 7.170 1.00 0.00 O ATOM 422 OE2 GLU A 27 -10.540 8.695 7.450 1.00 0.00 O ATOM 0 H GLU A 27 -11.317 8.045 2.310 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.773 8.568 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.271 8.217 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.972 6.531 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.494 6.459 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.741 6.450 6.340 1.00 0.00 H new ATOM 429 N THR A 28 -9.278 5.724 3.099 1.00 0.00 N ATOM 430 CA THR A 28 -8.599 4.436 3.130 1.00 0.00 C ATOM 431 C THR A 28 -7.210 4.334 2.434 1.00 0.00 C ATOM 432 O THR A 28 -6.564 3.308 2.562 1.00 0.00 O ATOM 433 CB THR A 28 -9.521 3.324 2.633 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.827 3.501 3.203 1.00 0.00 O ATOM 435 CG2 THR A 28 -8.978 1.977 3.060 1.00 0.00 C ATOM 0 H THR A 28 -9.738 5.935 2.213 1.00 0.00 H new ATOM 0 HA THR A 28 -8.362 4.315 4.187 1.00 0.00 H new ATOM 0 HB THR A 28 -9.578 3.366 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.233 4.317 2.844 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.640 1.188 2.703 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.983 1.835 2.638 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.919 1.936 4.148 1.00 0.00 H new ATOM 443 N VAL A 29 -6.739 5.322 1.671 1.00 0.00 N ATOM 444 CA VAL A 29 -5.467 5.129 0.931 1.00 0.00 C ATOM 445 C VAL A 29 -4.461 6.267 1.119 1.00 0.00 C ATOM 446 O VAL A 29 -3.383 6.063 1.655 1.00 0.00 O ATOM 447 CB VAL A 29 -5.659 4.856 -0.585 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.406 3.566 -0.800 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.363 5.995 -1.293 1.00 0.00 C ATOM 0 H VAL A 29 -7.187 6.230 1.544 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.051 4.231 1.388 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.664 4.771 -1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.531 3.392 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.843 2.742 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.385 3.629 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.472 5.754 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.348 6.145 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.776 6.907 -1.188 1.00 0.00 H new ATOM 459 N SER A 30 -4.775 7.456 0.676 1.00 0.00 N ATOM 460 CA SER A 30 -3.820 8.546 0.798 1.00 0.00 C ATOM 461 C SER A 30 -4.155 9.362 2.021 1.00 0.00 C ATOM 462 O SER A 30 -4.577 10.513 1.932 1.00 0.00 O ATOM 463 CB SER A 30 -3.833 9.411 -0.450 1.00 0.00 C ATOM 464 OG SER A 30 -5.149 9.825 -0.762 1.00 0.00 O ATOM 0 H SER A 30 -5.662 7.700 0.236 1.00 0.00 H new ATOM 0 HA SER A 30 -2.815 8.137 0.905 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.199 10.284 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.414 8.854 -1.288 1.00 0.00 H new ATOM 0 HG SER A 30 -5.531 10.306 0.002 1.00 0.00 H new ATOM 470 N THR A 31 -4.018 8.729 3.159 1.00 0.00 N ATOM 471 CA THR A 31 -4.553 9.263 4.375 1.00 0.00 C ATOM 472 C THR A 31 -3.817 8.701 5.575 1.00 0.00 C ATOM 473 O THR A 31 -2.808 8.022 5.427 1.00 0.00 O ATOM 474 CB THR A 31 -6.072 9.006 4.421 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.651 9.343 5.691 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.362 7.565 4.061 1.00 0.00 C ATOM 0 H THR A 31 -3.536 7.836 3.263 1.00 0.00 H new ATOM 0 HA THR A 31 -4.403 10.342 4.408 1.00 0.00 H new ATOM 0 HB THR A 31 -6.538 9.662 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.614 9.164 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.437 7.391 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.993 7.360 3.056 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.864 6.905 4.772 1.00 0.00 H new ATOM 484 N SER A 32 -4.281 9.072 6.739 1.00 0.00 N ATOM 485 CA SER A 32 -3.777 8.576 7.998 1.00 0.00 C ATOM 486 C SER A 32 -4.023 7.075 8.094 1.00 0.00 C ATOM 487 O SER A 32 -4.607 6.472 7.187 1.00 0.00 O ATOM 488 CB SER A 32 -4.440 9.283 9.172 1.00 0.00 C ATOM 489 OG SER A 32 -4.344 10.693 9.041 1.00 0.00 O ATOM 0 H SER A 32 -5.040 9.745 6.843 1.00 0.00 H new ATOM 0 HA SER A 32 -2.706 8.776 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.488 8.991 9.231 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.969 8.968 10.103 1.00 0.00 H new ATOM 0 HG SER A 32 -4.779 11.123 9.807 1.00 0.00 H new ATOM 495 N GLU A 33 -3.484 6.485 9.151 1.00 0.00 N ATOM 496 CA GLU A 33 -3.285 5.044 9.322 1.00 0.00 C ATOM 497 C GLU A 33 -4.517 4.182 8.987 1.00 0.00 C ATOM 498 O GLU A 33 -4.441 2.957 9.050 1.00 0.00 O ATOM 499 CB GLU A 33 -2.880 4.785 10.765 1.00 0.00 C ATOM 500 CG GLU A 33 -1.850 5.772 11.288 1.00 0.00 C ATOM 501 CD GLU A 33 -1.729 5.718 12.799 1.00 0.00 C ATOM 502 OE1 GLU A 33 -1.012 4.841 13.318 1.00 0.00 O ATOM 503 OE2 GLU A 33 -2.386 6.534 13.479 1.00 0.00 O ATOM 0 H GLU A 33 -3.156 7.020 9.955 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.512 4.751 8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.767 4.828 11.397 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.479 3.775 10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.881 5.557 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.126 6.781 10.982 1.00 0.00 H new ATOM 510 N GLY A 34 -5.648 4.795 8.689 1.00 0.00 N ATOM 511 CA GLY A 34 -6.761 4.035 8.165 1.00 0.00 C ATOM 512 C GLY A 34 -6.360 3.306 6.898 1.00 0.00 C ATOM 513 O GLY A 34 -6.786 2.174 6.673 1.00 0.00 O ATOM 0 H GLY A 34 -5.816 5.795 8.798 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.102 3.318 8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.598 4.702 7.958 1.00 0.00 H new ATOM 517 N ILE A 35 -5.536 3.943 6.062 1.00 0.00 N ATOM 518 CA ILE A 35 -4.945 3.256 4.946 1.00 0.00 C ATOM 519 C ILE A 35 -3.904 2.253 5.424 1.00 0.00 C ATOM 520 O ILE A 35 -3.770 1.158 4.890 1.00 0.00 O ATOM 521 CB ILE A 35 -4.354 4.229 3.917 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.512 3.482 2.878 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.556 5.341 4.575 1.00 0.00 C ATOM 524 CD1 ILE A 35 -2.032 3.595 3.138 1.00 0.00 C ATOM 0 H ILE A 35 -5.274 4.925 6.148 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.740 2.709 4.439 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.190 4.701 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.797 2.430 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.733 3.876 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.157 6.005 3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.204 5.907 5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.733 4.910 5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.485 3.047 2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.737 4.644 3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.802 3.176 4.117 1.00 0.00 H new ATOM 536 N ALA A 36 -3.185 2.653 6.451 1.00 0.00 N ATOM 537 CA ALA A 36 -2.162 1.811 7.074 1.00 0.00 C ATOM 538 C ALA A 36 -2.730 0.444 7.487 1.00 0.00 C ATOM 539 O ALA A 36 -1.999 -0.543 7.548 1.00 0.00 O ATOM 540 CB ALA A 36 -1.549 2.525 8.272 1.00 0.00 C ATOM 0 H ALA A 36 -3.286 3.571 6.885 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.381 1.630 6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.790 1.888 8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.091 3.458 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.327 2.741 9.004 1.00 0.00 H new ATOM 689 N GLN A 45 0.475 8.516 6.357 1.00 0.00 N ATOM 690 CA GLN A 45 -0.317 9.730 6.432 1.00 0.00 C ATOM 691 C GLN A 45 -0.029 10.448 5.142 1.00 0.00 C ATOM 692 O GLN A 45 1.121 10.407 4.706 1.00 0.00 O ATOM 693 CB GLN A 45 0.149 10.587 7.613 1.00 0.00 C ATOM 694 CG GLN A 45 0.108 9.869 8.950 1.00 0.00 C ATOM 695 CD GLN A 45 1.050 10.485 9.962 1.00 0.00 C ATOM 696 OE1 GLN A 45 1.307 11.690 9.942 1.00 0.00 O ATOM 697 NE2 GLN A 45 1.597 9.655 10.834 1.00 0.00 N ATOM 0 HA GLN A 45 -1.378 9.526 6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.168 10.924 7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.476 11.478 7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.909 9.893 9.342 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.369 8.821 8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.356 8.664 10.815 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.260 10.006 11.525 1.00 0.00 H new ATOM 706 N LEU A 46 -0.994 11.091 4.499 1.00 0.00 N ATOM 707 CA LEU A 46 -0.661 11.653 3.207 1.00 0.00 C ATOM 708 C LEU A 46 0.220 12.872 3.413 1.00 0.00 C ATOM 709 O LEU A 46 -0.207 13.961 3.793 1.00 0.00 O ATOM 710 CB LEU A 46 -1.891 11.965 2.338 1.00 0.00 C ATOM 711 CG LEU A 46 -2.689 13.219 2.689 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.673 13.550 1.579 1.00 0.00 C ATOM 713 CD2 LEU A 46 -3.421 13.053 4.014 1.00 0.00 C ATOM 0 H LEU A 46 -1.950 11.229 4.825 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.113 10.899 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.561 12.053 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.565 11.110 2.386 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.986 14.046 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.234 14.446 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.129 13.724 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.363 12.717 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.980 13.962 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.109 12.211 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.698 12.868 4.808 1.00 0.00 H new ATOM 725 N LYS A 47 1.476 12.614 3.177 1.00 0.00 N ATOM 726 CA LYS A 47 2.547 13.555 3.327 1.00 0.00 C ATOM 727 C LYS A 47 3.357 13.494 2.075 1.00 0.00 C ATOM 728 O LYS A 47 3.295 12.507 1.390 1.00 0.00 O ATOM 729 CB LYS A 47 3.400 13.216 4.535 1.00 0.00 C ATOM 730 CG LYS A 47 2.955 13.927 5.800 1.00 0.00 C ATOM 731 CD LYS A 47 3.797 13.523 7.001 1.00 0.00 C ATOM 732 CE LYS A 47 3.466 14.354 8.232 1.00 0.00 C ATOM 733 NZ LYS A 47 2.115 14.055 8.784 1.00 0.00 N ATOM 0 H LYS A 47 1.794 11.698 2.860 1.00 0.00 H new ATOM 0 HA LYS A 47 2.156 14.560 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.371 12.139 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.437 13.478 4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.023 15.005 5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.908 13.698 5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.633 12.468 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.854 13.638 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.216 14.171 9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.523 15.412 7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.956 14.624 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.391 14.287 8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.054 13.045 9.024 1.00 0.00 H new ATOM 747 N GLU A 48 3.983 14.563 1.695 1.00 0.00 N ATOM 748 CA GLU A 48 4.799 14.544 0.518 1.00 0.00 C ATOM 749 C GLU A 48 6.235 14.943 0.776 1.00 0.00 C ATOM 750 O GLU A 48 6.513 15.962 1.410 1.00 0.00 O ATOM 751 CB GLU A 48 4.156 15.354 -0.566 1.00 0.00 C ATOM 752 CG GLU A 48 3.620 14.445 -1.614 1.00 0.00 C ATOM 753 CD GLU A 48 4.584 14.293 -2.765 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.707 13.805 -2.548 1.00 0.00 O ATOM 755 OE2 GLU A 48 4.224 14.703 -3.891 1.00 0.00 O ATOM 0 H GLU A 48 3.946 15.459 2.180 1.00 0.00 H new ATOM 0 HA GLU A 48 4.862 13.510 0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.352 15.962 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.883 16.040 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.416 13.467 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.671 14.834 -1.983 1.00 0.00 H new ATOM 762 N GLY A 49 7.130 14.124 0.251 1.00 0.00 N ATOM 763 CA GLY A 49 8.569 14.319 0.430 1.00 0.00 C ATOM 764 C GLY A 49 8.937 14.492 1.890 1.00 0.00 C ATOM 765 O GLY A 49 9.774 15.320 2.252 1.00 0.00 O ATOM 0 H GLY A 49 6.887 13.307 -0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.105 13.464 0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.889 15.196 -0.132 1.00 0.00 H new ATOM 769 N GLN A 50 8.275 13.711 2.711 1.00 0.00 N ATOM 770 CA GLN A 50 8.322 13.812 4.143 1.00 0.00 C ATOM 771 C GLN A 50 9.110 12.660 4.704 1.00 0.00 C ATOM 772 O GLN A 50 9.516 11.764 3.969 1.00 0.00 O ATOM 773 CB GLN A 50 6.892 13.745 4.661 1.00 0.00 C ATOM 774 CG GLN A 50 6.442 12.334 4.954 1.00 0.00 C ATOM 775 CD GLN A 50 6.465 11.483 3.718 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.217 11.971 2.626 1.00 0.00 O ATOM 777 NE2 GLN A 50 6.836 10.229 3.872 1.00 0.00 N ATOM 0 H GLN A 50 7.667 12.961 2.383 1.00 0.00 H new ATOM 0 HA GLN A 50 8.797 14.746 4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.811 14.343 5.568 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.222 14.190 3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.090 11.894 5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.433 12.351 5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.033 9.866 4.805 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.927 9.620 3.058 1.00 0.00 H new ATOM 786 N GLU A 51 9.343 12.683 5.990 1.00 0.00 N ATOM 787 CA GLU A 51 9.660 11.453 6.658 1.00 0.00 C ATOM 788 C GLU A 51 8.667 11.229 7.799 1.00 0.00 C ATOM 789 O GLU A 51 8.481 12.098 8.651 1.00 0.00 O ATOM 790 CB GLU A 51 11.096 11.480 7.169 1.00 0.00 C ATOM 791 CG GLU A 51 12.112 11.787 6.078 1.00 0.00 C ATOM 792 CD GLU A 51 13.543 11.795 6.587 1.00 0.00 C ATOM 793 OE1 GLU A 51 13.751 12.029 7.797 1.00 0.00 O ATOM 794 OE2 GLU A 51 14.473 11.587 5.777 1.00 0.00 O ATOM 0 H GLU A 51 9.320 13.515 6.580 1.00 0.00 H new ATOM 0 HA GLU A 51 9.578 10.623 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.181 12.228 7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.334 10.516 7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.019 11.047 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.883 12.758 5.638 1.00 0.00 H new ATOM 966 N CYS A 63 9.989 6.545 6.237 1.00 0.00 N ATOM 967 CA CYS A 63 9.360 6.462 4.942 1.00 0.00 C ATOM 968 C CYS A 63 9.283 7.855 4.350 1.00 0.00 C ATOM 969 O CYS A 63 9.193 8.837 5.091 1.00 0.00 O ATOM 970 CB CYS A 63 7.957 5.880 5.066 1.00 0.00 C ATOM 971 SG CYS A 63 7.013 5.920 3.534 1.00 0.00 S ATOM 0 HA CYS A 63 9.947 5.809 4.296 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.031 4.848 5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.412 6.432 5.832 1.00 0.00 H new ATOM 0 HG CYS A 63 7.808 5.702 2.529 1.00 0.00 H new ATOM 977 N LYS A 64 9.295 7.944 3.032 1.00 0.00 N ATOM 978 CA LYS A 64 9.266 9.236 2.364 1.00 0.00 C ATOM 979 C LYS A 64 8.327 9.161 1.179 1.00 0.00 C ATOM 980 O LYS A 64 8.441 8.246 0.358 1.00 0.00 O ATOM 981 CB LYS A 64 10.683 9.664 1.940 1.00 0.00 C ATOM 982 CG LYS A 64 11.576 8.534 1.437 1.00 0.00 C ATOM 983 CD LYS A 64 11.702 8.526 -0.081 1.00 0.00 C ATOM 984 CE LYS A 64 12.792 7.563 -0.535 1.00 0.00 C ATOM 985 NZ LYS A 64 12.996 7.592 -2.009 1.00 0.00 N ATOM 0 H LYS A 64 9.325 7.141 2.404 1.00 0.00 H new ATOM 0 HA LYS A 64 8.898 9.996 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.599 10.417 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.171 10.142 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.567 8.632 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.171 7.579 1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.750 8.239 -0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.930 9.531 -0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.728 7.816 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.530 6.551 -0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.919 7.173 -2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.242 7.047 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.969 8.576 -2.344 1.00 0.00 H new ATOM 999 N VAL A 65 7.364 10.076 1.095 1.00 0.00 N ATOM 1000 CA VAL A 65 6.404 9.994 0.024 1.00 0.00 C ATOM 1001 C VAL A 65 6.997 10.557 -1.255 1.00 0.00 C ATOM 1002 O VAL A 65 7.534 11.664 -1.279 1.00 0.00 O ATOM 1003 CB VAL A 65 5.084 10.706 0.355 1.00 0.00 C ATOM 1004 CG1 VAL A 65 4.233 10.887 -0.887 1.00 0.00 C ATOM 1005 CG2 VAL A 65 4.306 9.915 1.403 1.00 0.00 C ATOM 0 H VAL A 65 7.238 10.856 1.740 1.00 0.00 H new ATOM 0 HA VAL A 65 6.170 8.938 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 65 5.326 11.692 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.305 11.394 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.778 11.486 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.004 9.912 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.372 10.430 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.087 8.919 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.902 9.830 2.311 1.00 0.00 H new ATOM 1015 N LEU A 66 6.921 9.753 -2.294 1.00 0.00 N ATOM 1016 CA LEU A 66 7.387 10.122 -3.614 1.00 0.00 C ATOM 1017 C LEU A 66 6.470 11.156 -4.218 1.00 0.00 C ATOM 1018 O LEU A 66 6.913 12.137 -4.815 1.00 0.00 O ATOM 1019 CB LEU A 66 7.394 8.886 -4.508 1.00 0.00 C ATOM 1020 CG LEU A 66 8.652 8.023 -4.432 1.00 0.00 C ATOM 1021 CD1 LEU A 66 9.876 8.815 -4.859 1.00 0.00 C ATOM 1022 CD2 LEU A 66 8.831 7.476 -3.028 1.00 0.00 C ATOM 0 H LEU A 66 6.529 8.813 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 66 8.393 10.535 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.535 8.267 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.257 9.206 -5.541 1.00 0.00 H new ATOM 0 HG LEU A 66 8.536 7.184 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.760 8.180 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.747 9.158 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.000 9.675 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.731 6.863 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.924 8.303 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.966 6.868 -2.761 1.00 0.00 H new ATOM 1034 N ALA A 67 5.187 10.885 -4.098 1.00 0.00 N ATOM 1035 CA ALA A 67 4.163 11.745 -4.631 1.00 0.00 C ATOM 1036 C ALA A 67 2.873 11.499 -3.893 1.00 0.00 C ATOM 1037 O ALA A 67 2.557 10.363 -3.570 1.00 0.00 O ATOM 1038 CB ALA A 67 3.974 11.494 -6.108 1.00 0.00 C ATOM 0 H ALA A 67 4.828 10.056 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 67 4.466 12.784 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.196 12.153 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.909 11.691 -6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.681 10.456 -6.266 1.00 0.00 H new ATOM 1044 N VAL A 68 2.130 12.533 -3.610 1.00 0.00 N ATOM 1045 CA VAL A 68 0.823 12.323 -3.043 1.00 0.00 C ATOM 1046 C VAL A 68 -0.193 13.273 -3.651 1.00 0.00 C ATOM 1047 O VAL A 68 0.011 14.487 -3.738 1.00 0.00 O ATOM 1048 CB VAL A 68 0.787 12.335 -1.491 1.00 0.00 C ATOM 1049 CG1 VAL A 68 0.416 13.696 -0.925 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.180 11.262 -1.021 1.00 0.00 C ATOM 0 H VAL A 68 2.396 13.507 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 68 0.542 11.305 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 68 1.790 12.123 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.406 13.647 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.148 14.436 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.572 13.982 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.217 11.257 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.174 11.469 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.156 10.288 -1.377 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.263 12.672 -4.120 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.284 13.335 -4.896 1.00 0.00 C ATOM 1062 C GLN A 69 -3.638 12.801 -4.509 1.00 0.00 C ATOM 1063 O GLN A 69 -3.810 11.582 -4.393 1.00 0.00 O ATOM 1064 CB GLN A 69 -2.039 13.063 -6.368 1.00 0.00 C ATOM 1065 CG GLN A 69 -0.970 13.944 -6.991 1.00 0.00 C ATOM 1066 CD GLN A 69 -0.724 13.637 -8.456 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -1.752 13.174 -9.157 1.00 0.00 O flip ATOM 1068 NE2 GLN A 69 0.387 13.822 -8.955 1.00 0.00 N flip ATOM 0 H GLN A 69 -1.451 11.681 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.251 14.408 -4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.751 12.019 -6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.973 13.202 -6.913 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.264 14.989 -6.889 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.038 13.820 -6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.151 14.179 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.543 13.618 -9.942 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.617 13.693 -4.419 1.00 0.00 N ATOM 1078 CA ALA A 70 -5.889 13.346 -3.819 1.00 0.00 C ATOM 1079 C ALA A 70 -6.538 12.271 -4.638 1.00 0.00 C ATOM 1080 O ALA A 70 -6.733 12.447 -5.839 1.00 0.00 O ATOM 1081 CB ALA A 70 -6.822 14.541 -3.748 1.00 0.00 C ATOM 0 H ALA A 70 -4.551 14.655 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.700 13.001 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.765 14.240 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.363 15.326 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.009 14.917 -4.754 1.00 0.00 H new ATOM 1087 N PRO A 71 -6.935 11.187 -3.952 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.253 9.885 -4.495 1.00 0.00 C ATOM 1089 C PRO A 71 -7.171 9.754 -6.004 1.00 0.00 C ATOM 1090 O PRO A 71 -8.140 9.428 -6.684 1.00 0.00 O ATOM 1091 CB PRO A 71 -8.638 9.750 -3.921 1.00 0.00 C ATOM 1092 CG PRO A 71 -8.413 10.159 -2.499 1.00 0.00 C ATOM 1093 CD PRO A 71 -7.263 11.156 -2.527 1.00 0.00 C ATOM 0 HA PRO A 71 -6.548 9.095 -4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.356 10.397 -4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.017 8.731 -4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.311 10.610 -2.076 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.167 9.297 -1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.561 12.136 -2.154 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.420 10.826 -1.920 1.00 0.00 H new ATOM 1101 N THR A 72 -5.973 10.007 -6.499 1.00 0.00 N ATOM 1102 CA THR A 72 -5.634 9.786 -7.879 1.00 0.00 C ATOM 1103 C THR A 72 -4.264 9.139 -7.960 1.00 0.00 C ATOM 1104 O THR A 72 -4.075 8.178 -8.702 1.00 0.00 O ATOM 1105 CB THR A 72 -5.646 11.099 -8.682 1.00 0.00 C ATOM 1106 OG1 THR A 72 -4.963 12.132 -7.952 1.00 0.00 O ATOM 1107 CG2 THR A 72 -7.072 11.535 -8.968 1.00 0.00 C ATOM 0 H THR A 72 -5.203 10.376 -5.941 1.00 0.00 H new ATOM 0 HA THR A 72 -6.384 9.126 -8.316 1.00 0.00 H new ATOM 0 HB THR A 72 -5.133 10.927 -9.628 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.495 12.386 -7.169 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.061 12.465 -9.536 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.580 10.763 -9.546 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.600 11.691 -8.027 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.314 9.654 -7.175 1.00 0.00 N ATOM 1116 CA GLU A 73 -1.973 9.085 -7.153 1.00 0.00 C ATOM 1117 C GLU A 73 -1.394 9.149 -5.766 1.00 0.00 C ATOM 1118 O GLU A 73 -1.479 10.163 -5.081 1.00 0.00 O ATOM 1119 CB GLU A 73 -1.040 9.804 -8.125 1.00 0.00 C ATOM 1120 CG GLU A 73 0.268 9.059 -8.363 1.00 0.00 C ATOM 1121 CD GLU A 73 1.199 9.797 -9.297 1.00 0.00 C ATOM 1122 OE1 GLU A 73 0.988 9.733 -10.525 1.00 0.00 O ATOM 1123 OE2 GLU A 73 2.155 10.430 -8.810 1.00 0.00 O ATOM 0 H GLU A 73 -3.450 10.453 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.060 8.044 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.552 9.939 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.819 10.799 -7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.769 8.900 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.050 8.074 -8.777 1.00 0.00 H new ATOM 1130 N LEU A 74 -0.816 8.058 -5.362 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.120 7.984 -4.113 1.00 0.00 C ATOM 1132 C LEU A 74 1.154 7.221 -4.347 1.00 0.00 C ATOM 1133 O LEU A 74 1.114 6.143 -4.881 1.00 0.00 O ATOM 1134 CB LEU A 74 -1.026 7.257 -3.126 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.503 7.047 -1.718 1.00 0.00 C ATOM 1136 CD1 LEU A 74 -1.660 6.841 -0.776 1.00 0.00 C ATOM 1137 CD2 LEU A 74 0.423 5.861 -1.648 1.00 0.00 C ATOM 0 H LEU A 74 -0.814 7.188 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 74 0.126 8.967 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.962 7.811 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.264 6.280 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 74 0.060 7.934 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.283 6.690 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.306 7.719 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.230 5.965 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.780 5.738 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.112 4.963 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.272 6.023 -2.312 1.00 0.00 H new ATOM 1149 N SER A 75 2.272 7.777 -3.980 1.00 0.00 N ATOM 1150 CA SER A 75 3.520 7.040 -4.065 1.00 0.00 C ATOM 1151 C SER A 75 4.367 7.314 -2.856 1.00 0.00 C ATOM 1152 O SER A 75 4.632 8.463 -2.537 1.00 0.00 O ATOM 1153 CB SER A 75 4.287 7.424 -5.322 1.00 0.00 C ATOM 1154 OG SER A 75 3.608 7.023 -6.496 1.00 0.00 O ATOM 0 H SER A 75 2.356 8.728 -3.621 1.00 0.00 H new ATOM 0 HA SER A 75 3.285 5.977 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.438 8.503 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.275 6.965 -5.299 1.00 0.00 H new ATOM 0 HG SER A 75 3.805 6.081 -6.682 1.00 0.00 H new ATOM 1160 N PHE A 76 4.788 6.277 -2.186 1.00 0.00 N ATOM 1161 CA PHE A 76 5.665 6.430 -1.055 1.00 0.00 C ATOM 1162 C PHE A 76 6.520 5.193 -0.883 1.00 0.00 C ATOM 1163 O PHE A 76 6.124 4.111 -1.305 1.00 0.00 O ATOM 1164 CB PHE A 76 4.857 6.824 0.177 1.00 0.00 C ATOM 1165 CG PHE A 76 4.089 5.727 0.865 1.00 0.00 C ATOM 1166 CD1 PHE A 76 2.829 5.353 0.431 1.00 0.00 C ATOM 1167 CD2 PHE A 76 4.621 5.095 1.971 1.00 0.00 C ATOM 1168 CE1 PHE A 76 2.123 4.363 1.094 1.00 0.00 C ATOM 1169 CE2 PHE A 76 3.929 4.107 2.635 1.00 0.00 C ATOM 1170 CZ PHE A 76 2.676 3.737 2.195 1.00 0.00 C ATOM 0 H PHE A 76 4.538 5.312 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 76 6.369 7.245 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.539 7.268 0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.151 7.602 -0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.393 5.837 -0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.601 5.382 2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.139 4.080 0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.366 3.624 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.129 2.961 2.709 1.00 0.00 H new ATOM 1180 N GLU A 77 7.676 5.334 -0.262 1.00 0.00 N ATOM 1181 CA GLU A 77 8.549 4.182 -0.085 1.00 0.00 C ATOM 1182 C GLU A 77 8.734 3.918 1.380 1.00 0.00 C ATOM 1183 O GLU A 77 9.114 4.810 2.146 1.00 0.00 O ATOM 1184 CB GLU A 77 9.927 4.414 -0.696 1.00 0.00 C ATOM 1185 CG GLU A 77 9.940 4.515 -2.204 1.00 0.00 C ATOM 1186 CD GLU A 77 11.318 4.801 -2.759 1.00 0.00 C ATOM 1187 OE1 GLU A 77 12.195 3.924 -2.668 1.00 0.00 O ATOM 1188 OE2 GLU A 77 11.526 5.909 -3.293 1.00 0.00 O ATOM 0 H GLU A 77 8.029 6.211 0.121 1.00 0.00 H new ATOM 0 HA GLU A 77 8.078 3.336 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.344 5.331 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.585 3.599 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.568 3.583 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.256 5.304 -2.517 1.00 0.00 H new ATOM 1307 N VAL A 85 5.606 2.234 -3.170 1.00 0.00 N ATOM 1308 CA VAL A 85 4.266 1.765 -3.311 1.00 0.00 C ATOM 1309 C VAL A 85 3.420 2.915 -3.861 1.00 0.00 C ATOM 1310 O VAL A 85 3.499 4.048 -3.377 1.00 0.00 O ATOM 1311 CB VAL A 85 3.719 1.226 -1.952 1.00 0.00 C ATOM 1312 CG1 VAL A 85 4.856 0.866 -0.995 1.00 0.00 C ATOM 1313 CG2 VAL A 85 2.795 2.212 -1.283 1.00 0.00 C ATOM 0 HA VAL A 85 4.225 0.927 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 85 3.152 0.325 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.440 0.494 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.481 0.095 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.459 1.752 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.438 1.795 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.332 3.140 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.945 2.414 -1.935 1.00 0.00 H new ATOM 1323 N THR A 86 2.675 2.640 -4.909 1.00 0.00 N ATOM 1324 CA THR A 86 1.849 3.648 -5.534 1.00 0.00 C ATOM 1325 C THR A 86 0.393 3.219 -5.526 1.00 0.00 C ATOM 1326 O THR A 86 0.068 2.094 -5.870 1.00 0.00 O ATOM 1327 CB THR A 86 2.303 3.938 -6.987 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.641 4.448 -6.977 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.374 4.950 -7.684 1.00 0.00 C ATOM 0 H THR A 86 2.625 1.721 -5.348 1.00 0.00 H new ATOM 0 HA THR A 86 1.959 4.565 -4.956 1.00 0.00 H new ATOM 0 HB THR A 86 2.260 3.002 -7.544 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.929 4.630 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.726 5.127 -8.700 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.360 4.551 -7.715 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.378 5.889 -7.130 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.484 4.101 -5.109 1.00 0.00 N ATOM 1338 CA PHE A 87 -1.891 3.807 -5.172 1.00 0.00 C ATOM 1339 C PHE A 87 -2.514 4.693 -6.208 1.00 0.00 C ATOM 1340 O PHE A 87 -2.441 5.915 -6.113 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.550 4.040 -3.808 1.00 0.00 C ATOM 1342 CG PHE A 87 -1.981 3.156 -2.737 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.408 1.943 -3.068 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.985 3.546 -1.411 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -0.843 1.139 -2.108 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -1.426 2.743 -0.439 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.849 1.533 -0.792 1.00 0.00 C ATOM 0 H PHE A 87 -0.250 5.017 -4.727 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.037 2.761 -5.440 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.422 5.083 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.622 3.861 -3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.404 1.621 -4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.431 4.490 -1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.394 0.197 -2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.438 3.056 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.406 0.903 -0.035 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.174 4.073 -7.157 1.00 0.00 N ATOM 1358 CA GLN A 88 -3.807 4.781 -8.221 1.00 0.00 C ATOM 1359 C GLN A 88 -5.297 4.599 -8.134 1.00 0.00 C ATOM 1360 O GLN A 88 -5.820 3.494 -8.042 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.282 4.217 -9.507 1.00 0.00 C ATOM 1362 CG GLN A 88 -2.457 5.154 -10.333 1.00 0.00 C ATOM 1363 CD GLN A 88 -1.821 6.331 -9.623 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -1.402 6.249 -8.479 1.00 0.00 O ATOM 1365 NE2 GLN A 88 -1.723 7.444 -10.331 1.00 0.00 N ATOM 0 H GLN A 88 -3.282 3.060 -7.205 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.595 5.849 -8.163 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.681 3.337 -9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.127 3.879 -10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.663 4.576 -10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.088 5.543 -11.132 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.084 7.476 -11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.286 8.271 -9.924 1.00 0.00 H new ATOM 1374 N LEU A 89 -5.958 5.702 -8.133 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.359 5.721 -7.754 1.00 0.00 C ATOM 1376 C LEU A 89 -8.262 6.424 -8.772 1.00 0.00 C ATOM 1377 O LEU A 89 -7.855 7.390 -9.418 1.00 0.00 O ATOM 1378 CB LEU A 89 -7.508 6.224 -6.314 1.00 0.00 C ATOM 1379 CG LEU A 89 -8.934 6.265 -5.755 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -9.653 4.941 -5.978 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -8.896 6.583 -4.273 1.00 0.00 C ATOM 0 H LEU A 89 -5.568 6.610 -8.387 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.728 4.695 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.904 5.589 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.089 7.229 -6.257 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.483 7.044 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.662 5.002 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.705 4.731 -7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.107 4.142 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.913 6.611 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.326 5.815 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.422 7.553 -4.121 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.476 5.904 -8.929 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.464 6.491 -9.818 1.00 0.00 C ATOM 1395 C GLU A 90 -11.587 7.087 -9.002 1.00 0.00 C ATOM 1396 O GLU A 90 -12.188 6.399 -8.167 1.00 0.00 O ATOM 1397 CB GLU A 90 -11.064 5.439 -10.739 1.00 0.00 C ATOM 1398 CG GLU A 90 -12.383 5.870 -11.365 1.00 0.00 C ATOM 1399 CD GLU A 90 -12.207 6.957 -12.406 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -11.868 8.100 -12.038 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -12.393 6.664 -13.605 1.00 0.00 O ATOM 0 H GLU A 90 -9.798 5.067 -8.444 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.965 7.255 -10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.351 5.210 -11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.220 4.519 -10.176 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.862 5.006 -11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.053 6.227 -10.583 1.00 0.00 H new ATOM 1408 N ASP A 91 -11.917 8.329 -9.319 1.00 0.00 N ATOM 1409 CA ASP A 91 -12.828 9.110 -8.495 1.00 0.00 C ATOM 1410 C ASP A 91 -14.218 9.028 -9.044 1.00 0.00 C ATOM 1411 O ASP A 91 -14.534 9.666 -10.048 1.00 0.00 O ATOM 1412 CB ASP A 91 -12.494 10.607 -8.457 1.00 0.00 C ATOM 1413 CG ASP A 91 -11.028 10.953 -8.617 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -10.488 10.773 -9.730 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -10.434 11.470 -7.647 1.00 0.00 O ATOM 0 H ASP A 91 -11.567 8.819 -10.142 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.734 8.687 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.055 11.107 -9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.844 11.016 -7.509 1.00 0.00 H new ATOM 1461 N LYS A 95 -18.668 4.331 -7.483 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.779 3.486 -6.753 1.00 0.00 C ATOM 1463 C LYS A 95 -16.416 3.689 -7.361 1.00 0.00 C ATOM 1464 O LYS A 95 -16.287 4.300 -8.410 1.00 0.00 O ATOM 1465 CB LYS A 95 -18.186 2.027 -6.968 1.00 0.00 C ATOM 1466 CG LYS A 95 -18.501 1.704 -8.436 1.00 0.00 C ATOM 1467 CD LYS A 95 -17.420 0.888 -9.151 1.00 0.00 C ATOM 1468 CE LYS A 95 -16.288 1.755 -9.706 1.00 0.00 C ATOM 1469 NZ LYS A 95 -15.564 1.092 -10.823 1.00 0.00 N ATOM 0 HA LYS A 95 -17.795 3.715 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.383 1.376 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.061 1.805 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -19.442 1.156 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.651 2.638 -8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.004 0.158 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.875 0.328 -9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.697 2.704 -10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.584 1.985 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.569 0.949 -10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.004 0.172 -11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.611 1.691 -11.672 1.00 0.00 H new ATOM 1483 N THR A 96 -15.406 3.189 -6.727 1.00 0.00 N ATOM 1484 CA THR A 96 -14.088 3.686 -6.949 1.00 0.00 C ATOM 1485 C THR A 96 -13.265 2.655 -7.661 1.00 0.00 C ATOM 1486 O THR A 96 -13.249 1.481 -7.294 1.00 0.00 O ATOM 1487 CB THR A 96 -13.438 4.033 -5.601 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.247 3.526 -4.540 1.00 0.00 O ATOM 1489 CG2 THR A 96 -13.264 5.536 -5.430 1.00 0.00 C ATOM 0 H THR A 96 -15.470 2.432 -6.047 1.00 0.00 H new ATOM 0 HA THR A 96 -14.141 4.583 -7.567 1.00 0.00 H new ATOM 0 HB THR A 96 -12.449 3.575 -5.576 1.00 0.00 H new ATOM 0 HG1 THR A 96 -15.077 4.044 -4.485 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.801 5.741 -4.465 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.628 5.922 -6.227 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.238 6.023 -5.476 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.597 3.084 -8.700 1.00 0.00 N ATOM 1498 CA GLY A 97 -11.835 2.138 -9.465 1.00 0.00 C ATOM 1499 C GLY A 97 -10.403 2.145 -9.006 1.00 0.00 C ATOM 1500 O GLY A 97 -9.706 3.143 -9.172 1.00 0.00 O ATOM 0 H GLY A 97 -12.565 4.050 -9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.258 1.140 -9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.888 2.387 -10.525 1.00 0.00 H new ATOM 1504 N PHE A 98 -9.942 1.056 -8.412 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.633 1.085 -7.807 1.00 0.00 C ATOM 1506 C PHE A 98 -7.609 0.345 -8.643 1.00 0.00 C ATOM 1507 O PHE A 98 -7.815 -0.798 -9.059 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.629 0.517 -6.395 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.522 1.110 -5.571 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.589 2.433 -5.167 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.416 0.361 -5.220 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.576 3.002 -4.427 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.397 0.920 -4.477 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.475 2.241 -4.079 1.00 0.00 C ATOM 0 H PHE A 98 -10.441 0.169 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.359 2.139 -7.755 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.588 0.717 -5.917 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.514 -0.566 -6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.449 3.028 -5.436 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.348 -0.671 -5.530 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.641 4.036 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.538 0.325 -4.206 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.677 2.678 -3.497 1.00 0.00 H new ATOM 1524 N THR A 99 -6.510 1.015 -8.879 1.00 0.00 N ATOM 1525 CA THR A 99 -5.366 0.419 -9.524 1.00 0.00 C ATOM 1526 C THR A 99 -4.196 0.571 -8.587 1.00 0.00 C ATOM 1527 O THR A 99 -3.793 1.676 -8.270 1.00 0.00 O ATOM 1528 CB THR A 99 -5.035 1.093 -10.871 1.00 0.00 C ATOM 1529 OG1 THR A 99 -6.176 1.058 -11.742 1.00 0.00 O ATOM 1530 CG2 THR A 99 -3.865 0.392 -11.544 1.00 0.00 C ATOM 0 H THR A 99 -6.382 1.995 -8.628 1.00 0.00 H new ATOM 0 HA THR A 99 -5.584 -0.627 -9.739 1.00 0.00 H new ATOM 0 HB THR A 99 -4.765 2.130 -10.673 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.952 1.491 -12.592 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.645 0.881 -12.493 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.989 0.444 -10.898 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.121 -0.652 -11.724 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.655 -0.506 -8.110 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.610 -0.375 -7.145 1.00 0.00 C ATOM 1540 C LEU A 100 -1.285 -0.797 -7.715 1.00 0.00 C ATOM 1541 O LEU A 100 -1.178 -1.780 -8.442 1.00 0.00 O ATOM 1542 CB LEU A 100 -2.934 -1.174 -5.906 1.00 0.00 C ATOM 1543 CG LEU A 100 -2.099 -0.863 -4.682 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -2.907 -1.091 -3.430 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -0.884 -1.751 -4.670 1.00 0.00 C ATOM 0 H LEU A 100 -3.910 -1.460 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.535 0.678 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.983 -1.013 -5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.821 -2.233 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.790 0.182 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.296 -0.864 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.783 -0.442 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.227 -2.132 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.280 -1.530 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.197 -2.795 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.294 -1.572 -5.569 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.285 -0.034 -7.372 1.00 0.00 N ATOM 1558 CA ILE A 101 1.063 -0.318 -7.755 1.00 0.00 C ATOM 1559 C ILE A 101 1.872 -0.592 -6.495 1.00 0.00 C ATOM 1560 O ILE A 101 1.877 0.200 -5.563 1.00 0.00 O ATOM 1561 CB ILE A 101 1.707 0.887 -8.487 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.791 1.464 -9.598 1.00 0.00 C ATOM 1563 CG2 ILE A 101 3.060 0.487 -9.070 1.00 0.00 C ATOM 1564 CD1 ILE A 101 -0.347 2.341 -9.105 1.00 0.00 C ATOM 0 H ILE A 101 -0.388 0.812 -6.812 1.00 0.00 H new ATOM 0 HA ILE A 101 1.058 -1.176 -8.427 1.00 0.00 H new ATOM 0 HB ILE A 101 1.848 1.675 -7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.404 2.045 -10.287 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.370 0.635 -10.167 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.503 1.342 -9.582 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.721 0.163 -8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.924 -0.330 -9.779 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.929 2.695 -9.956 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.990 1.763 -8.441 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.060 3.195 -8.563 1.00 0.00 H new ATOM 1576 N HIS A 102 2.515 -1.719 -6.437 1.00 0.00 N ATOM 1577 CA HIS A 102 3.534 -1.939 -5.439 1.00 0.00 C ATOM 1578 C HIS A 102 4.811 -2.164 -6.204 1.00 0.00 C ATOM 1579 O HIS A 102 4.952 -3.140 -6.931 1.00 0.00 O ATOM 1580 CB HIS A 102 3.159 -3.125 -4.533 1.00 0.00 C ATOM 1581 CG HIS A 102 2.420 -2.730 -3.289 1.00 0.00 C ATOM 1582 ND1 HIS A 102 1.835 -1.556 -2.921 1.00 0.00 N flip ATOM 1583 CD2 HIS A 102 2.214 -3.601 -2.237 1.00 0.00 C flip ATOM 1584 CE1 HIS A 102 1.300 -1.747 -1.671 1.00 0.00 C flip ATOM 1585 NE2 HIS A 102 1.541 -2.986 -1.283 1.00 0.00 N flip ATOM 0 H HIS A 102 2.356 -2.505 -7.067 1.00 0.00 H new ATOM 0 HA HIS A 102 3.646 -1.091 -4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.546 -3.824 -5.102 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.068 -3.655 -4.251 1.00 0.00 H new ATOM 0 HD1 HIS A 102 1.801 -0.697 -3.470 1.00 0.00 H new ATOM 0 HD2 HIS A 102 2.551 -4.626 -2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.767 -1.003 -1.097 1.00 0.00 H new ATOM 1881 N VAL A 122 8.276 -11.338 -2.664 1.00 0.00 N ATOM 1882 CA VAL A 122 7.510 -10.256 -2.095 1.00 0.00 C ATOM 1883 C VAL A 122 6.477 -9.711 -3.091 1.00 0.00 C ATOM 1884 O VAL A 122 5.374 -9.328 -2.709 1.00 0.00 O ATOM 1885 CB VAL A 122 8.452 -9.159 -1.607 1.00 0.00 C ATOM 1886 CG1 VAL A 122 9.090 -8.463 -2.773 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.735 -8.182 -0.711 1.00 0.00 C ATOM 0 HA VAL A 122 6.950 -10.638 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 122 9.240 -9.623 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.759 -7.683 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.658 -9.184 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.317 -8.015 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 122 8.432 -7.413 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.916 -7.717 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.337 -8.708 0.156 1.00 0.00 H new ATOM 1897 N ARG A 123 6.834 -9.670 -4.374 1.00 0.00 N ATOM 1898 CA ARG A 123 5.872 -9.278 -5.397 1.00 0.00 C ATOM 1899 C ARG A 123 4.804 -10.361 -5.504 1.00 0.00 C ATOM 1900 O ARG A 123 3.660 -10.091 -5.854 1.00 0.00 O ATOM 1901 CB ARG A 123 6.539 -9.013 -6.758 1.00 0.00 C ATOM 1902 CG ARG A 123 6.978 -10.261 -7.499 1.00 0.00 C ATOM 1903 CD ARG A 123 7.485 -9.937 -8.892 1.00 0.00 C ATOM 1904 NE ARG A 123 7.882 -11.142 -9.619 1.00 0.00 N ATOM 1905 CZ ARG A 123 8.009 -11.209 -10.945 1.00 0.00 C ATOM 1906 NH1 ARG A 123 7.722 -10.155 -11.698 1.00 0.00 N ATOM 1907 NH2 ARG A 123 8.420 -12.334 -11.518 1.00 0.00 N ATOM 0 H ARG A 123 7.765 -9.899 -4.723 1.00 0.00 H new ATOM 0 HA ARG A 123 5.413 -8.335 -5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.843 -8.459 -7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.408 -8.373 -6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.763 -10.763 -6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 123 6.141 -10.956 -7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.707 -9.416 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.335 -9.259 -8.821 1.00 0.00 H new ATOM 0 HE ARG A 123 8.074 -11.985 -9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 123 7.403 -9.289 -11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 123 7.820 -10.210 -12.712 1.00 0.00 H new ATOM 0 HH21 ARG A 123 8.639 -13.148 -10.944 1.00 0.00 H new ATOM 0 HH22 ARG A 123 8.517 -12.384 -12.532 1.00 0.00 H new ATOM 1921 N GLY A 124 5.198 -11.591 -5.181 1.00 0.00 N ATOM 1922 CA GLY A 124 4.248 -12.686 -5.081 1.00 0.00 C ATOM 1923 C GLY A 124 3.274 -12.462 -3.941 1.00 0.00 C ATOM 1924 O GLY A 124 2.104 -12.855 -4.010 1.00 0.00 O ATOM 0 H GLY A 124 6.165 -11.849 -4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.700 -12.782 -6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.783 -13.623 -4.927 1.00 0.00 H new ATOM 1928 N LYS A 125 3.756 -11.803 -2.893 1.00 0.00 N ATOM 1929 CA LYS A 125 2.909 -11.382 -1.793 1.00 0.00 C ATOM 1930 C LYS A 125 1.875 -10.405 -2.306 1.00 0.00 C ATOM 1931 O LYS A 125 0.714 -10.424 -1.906 1.00 0.00 O ATOM 1932 CB LYS A 125 3.758 -10.720 -0.731 1.00 0.00 C ATOM 1933 CG LYS A 125 4.906 -11.606 -0.308 1.00 0.00 C ATOM 1934 CD LYS A 125 4.417 -12.813 0.481 1.00 0.00 C ATOM 1935 CE LYS A 125 5.513 -13.850 0.675 1.00 0.00 C ATOM 1936 NZ LYS A 125 5.832 -14.563 -0.591 1.00 0.00 N ATOM 0 H LYS A 125 4.738 -11.549 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 125 2.406 -12.247 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.147 -9.775 -1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.140 -10.485 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.451 -11.943 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.606 -11.032 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.051 -12.486 1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 125 3.575 -13.269 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 125 6.411 -13.362 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 125 5.200 -14.572 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 6.427 -15.390 -0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.950 -14.876 -1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 6.342 -13.922 -1.232 1.00 0.00 H new ATOM 1950 N MET A 126 2.315 -9.564 -3.224 1.00 0.00 N ATOM 1951 CA MET A 126 1.444 -8.592 -3.854 1.00 0.00 C ATOM 1952 C MET A 126 0.670 -9.257 -4.978 1.00 0.00 C ATOM 1953 O MET A 126 -0.206 -8.659 -5.591 1.00 0.00 O ATOM 1954 CB MET A 126 2.260 -7.427 -4.420 1.00 0.00 C ATOM 1955 CG MET A 126 3.333 -6.913 -3.477 1.00 0.00 C ATOM 1956 SD MET A 126 4.612 -5.963 -4.303 1.00 0.00 S ATOM 1957 CE MET A 126 5.723 -5.666 -2.933 1.00 0.00 C ATOM 0 H MET A 126 3.281 -9.536 -3.552 1.00 0.00 H new ATOM 0 HA MET A 126 0.752 -8.207 -3.105 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.730 -7.744 -5.351 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.584 -6.608 -4.666 1.00 0.00 H new ATOM 0 HG2 MET A 126 2.867 -6.292 -2.712 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.792 -7.759 -2.965 1.00 0.00 H new ATOM 0 HE1 MET A 126 5.982 -4.608 -2.897 1.00 0.00 H new ATOM 0 HE2 MET A 126 5.236 -5.952 -2.001 1.00 0.00 H new ATOM 0 HE3 MET A 126 6.629 -6.257 -3.065 1.00 0.00 H new ATOM 1967 N ASP A 127 1.028 -10.485 -5.272 1.00 0.00 N ATOM 1968 CA ASP A 127 0.353 -11.227 -6.313 1.00 0.00 C ATOM 1969 C ASP A 127 -0.795 -12.060 -5.738 1.00 0.00 C ATOM 1970 O ASP A 127 -1.689 -12.485 -6.468 1.00 0.00 O ATOM 1971 CB ASP A 127 1.376 -12.103 -7.038 1.00 0.00 C ATOM 1972 CG ASP A 127 0.760 -12.983 -8.106 1.00 0.00 C ATOM 1973 OD1 ASP A 127 0.256 -12.434 -9.111 1.00 0.00 O ATOM 1974 OD2 ASP A 127 0.811 -14.220 -7.970 1.00 0.00 O ATOM 0 H ASP A 127 1.781 -10.991 -4.807 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.090 -10.533 -7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.132 -11.465 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 127 1.887 -12.732 -6.309 1.00 0.00 H new ATOM 1979 N GLY A 128 -0.802 -12.234 -4.419 1.00 0.00 N ATOM 1980 CA GLY A 128 -1.895 -12.963 -3.779 1.00 0.00 C ATOM 1981 C GLY A 128 -2.454 -12.269 -2.542 1.00 0.00 C ATOM 1982 O GLY A 128 -3.665 -11.981 -2.454 1.00 0.00 O ATOM 0 H GLY A 128 -0.082 -11.890 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.699 -13.102 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.543 -13.956 -3.500 1.00 0.00 H new ATOM 1986 N GLY A 129 -1.571 -11.949 -1.599 1.00 0.00 N ATOM 1987 CA GLY A 129 -2.012 -11.369 -0.345 1.00 0.00 C ATOM 1988 C GLY A 129 -2.522 -9.980 -0.583 1.00 0.00 C ATOM 1989 O GLY A 129 -3.261 -9.410 0.221 1.00 0.00 O ATOM 0 H GLY A 129 -0.563 -12.081 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -2.796 -11.984 0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.187 -11.347 0.367 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.115 -9.454 -1.723 1.00 0.00 N ATOM 1994 CA TRP A 130 -2.569 -8.183 -2.202 1.00 0.00 C ATOM 1995 C TRP A 130 -4.079 -8.147 -2.290 1.00 0.00 C ATOM 1996 O TRP A 130 -4.701 -7.378 -1.598 1.00 0.00 O ATOM 1997 CB TRP A 130 -2.019 -7.952 -3.578 1.00 0.00 C ATOM 1998 CG TRP A 130 -2.121 -6.577 -4.049 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -1.139 -5.650 -4.099 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -3.287 -5.986 -4.595 1.00 0.00 C ATOM 2001 NE1 TRP A 130 -1.633 -4.509 -4.643 1.00 0.00 N ATOM 2002 CE2 TRP A 130 -2.953 -4.694 -4.946 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -4.591 -6.432 -4.816 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 -3.867 -3.837 -5.507 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 -5.500 -5.571 -5.377 1.00 0.00 C ATOM 2006 CH2 TRP A 130 -5.122 -4.279 -5.718 1.00 0.00 C ATOM 0 H TRP A 130 -1.449 -9.913 -2.344 1.00 0.00 H new ATOM 0 HA TRP A 130 -2.229 -7.415 -1.508 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -0.971 -8.250 -3.591 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -2.543 -8.602 -4.278 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -0.124 -5.794 -3.760 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -1.104 -3.651 -4.800 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -4.880 -7.438 -4.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -3.586 -2.829 -5.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -6.514 -5.899 -5.554 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -5.849 -3.615 -6.161 1.00 0.00 H new ATOM 2017 N THR A 131 -4.677 -8.978 -3.147 1.00 0.00 N ATOM 2018 CA THR A 131 -6.105 -8.870 -3.379 1.00 0.00 C ATOM 2019 C THR A 131 -6.879 -9.172 -2.126 1.00 0.00 C ATOM 2020 O THR A 131 -7.975 -8.670 -1.950 1.00 0.00 O ATOM 2021 CB THR A 131 -6.621 -9.764 -4.505 1.00 0.00 C ATOM 2022 OG1 THR A 131 -6.020 -11.063 -4.418 1.00 0.00 O ATOM 2023 CG2 THR A 131 -6.340 -9.138 -5.867 1.00 0.00 C ATOM 0 H THR A 131 -4.204 -9.711 -3.675 1.00 0.00 H new ATOM 0 HA THR A 131 -6.263 -7.836 -3.687 1.00 0.00 H new ATOM 0 HB THR A 131 -7.701 -9.867 -4.396 1.00 0.00 H new ATOM 0 HG1 THR A 131 -6.358 -11.629 -5.143 1.00 0.00 H new ATOM 0 HG21 THR A 131 -6.716 -9.793 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 131 -6.837 -8.170 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 131 -5.265 -9.003 -5.991 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.325 -9.991 -1.258 1.00 0.00 N ATOM 2032 CA GLY A 132 -6.912 -10.104 0.050 1.00 0.00 C ATOM 2033 C GLY A 132 -6.995 -8.740 0.709 1.00 0.00 C ATOM 2034 O GLY A 132 -8.082 -8.230 0.985 1.00 0.00 O ATOM 0 H GLY A 132 -5.500 -10.567 -1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -7.908 -10.539 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.317 -10.778 0.666 1.00 0.00 H new ATOM 2038 N ILE A 133 -5.845 -8.111 0.871 1.00 0.00 N ATOM 2039 CA ILE A 133 -5.762 -6.843 1.573 1.00 0.00 C ATOM 2040 C ILE A 133 -6.349 -5.676 0.757 1.00 0.00 C ATOM 2041 O ILE A 133 -7.255 -5.003 1.223 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.282 -6.559 1.939 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -3.931 -7.162 3.307 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -3.960 -5.074 1.917 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -4.001 -8.674 3.359 1.00 0.00 C ATOM 0 H ILE A 133 -4.951 -8.460 0.524 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.363 -6.921 2.479 1.00 0.00 H new ATOM 0 HB ILE A 133 -3.669 -7.038 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -2.924 -6.847 3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -4.609 -6.753 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -2.913 -4.925 2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -4.144 -4.677 0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -4.592 -4.554 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -3.739 -9.016 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -5.013 -9.000 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -3.302 -9.096 2.637 1.00 0.00 H new ATOM 2057 N VAL A 134 -5.888 -5.466 -0.468 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.370 -4.357 -1.267 1.00 0.00 C ATOM 2059 C VAL A 134 -7.697 -4.672 -1.937 1.00 0.00 C ATOM 2060 O VAL A 134 -8.620 -3.879 -1.891 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.369 -3.939 -2.363 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -5.794 -2.617 -2.959 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -3.957 -3.820 -1.844 1.00 0.00 C ATOM 0 H VAL A 134 -5.185 -6.047 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 134 -6.497 -3.535 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 134 -5.375 -4.722 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -5.086 -2.323 -3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -6.788 -2.717 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -5.815 -1.856 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -3.294 -3.523 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -3.922 -3.069 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -3.634 -4.781 -1.445 1.00 0.00 H new ATOM 2073 N ASN A 135 -7.847 -5.844 -2.508 1.00 0.00 N ATOM 2074 CA ASN A 135 -9.039 -6.065 -3.299 1.00 0.00 C ATOM 2075 C ASN A 135 -10.194 -6.359 -2.366 1.00 0.00 C ATOM 2076 O ASN A 135 -11.303 -5.863 -2.548 1.00 0.00 O ATOM 2077 CB ASN A 135 -8.841 -7.179 -4.333 1.00 0.00 C ATOM 2078 CG ASN A 135 -10.074 -7.435 -5.191 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -10.849 -6.529 -5.479 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -10.260 -8.680 -5.609 1.00 0.00 N ATOM 0 H ASN A 135 -7.195 -6.626 -2.448 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.261 -5.164 -3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -8.004 -6.918 -4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -8.569 -8.100 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -11.068 -8.908 -6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -9.595 -9.409 -5.351 1.00 0.00 H new ATOM 2087 N GLU A 136 -9.936 -7.094 -1.304 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.012 -7.434 -0.440 1.00 0.00 C ATOM 2089 C GLU A 136 -11.110 -6.442 0.722 1.00 0.00 C ATOM 2090 O GLU A 136 -12.189 -5.915 0.981 1.00 0.00 O ATOM 2091 CB GLU A 136 -10.837 -8.889 0.013 1.00 0.00 C ATOM 2092 CG GLU A 136 -11.607 -9.241 1.273 1.00 0.00 C ATOM 2093 CD GLU A 136 -11.334 -10.643 1.770 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -11.480 -11.598 0.981 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -11.003 -10.799 2.965 1.00 0.00 O ATOM 0 H GLU A 136 -9.018 -7.450 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 136 -11.964 -7.362 -0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.157 -9.550 -0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -9.777 -9.081 0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -11.351 -8.529 2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -12.674 -9.133 1.080 1.00 0.00 H new ATOM 2102 N ARG A 137 -9.985 -6.099 1.359 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.017 -5.186 2.504 1.00 0.00 C ATOM 2104 C ARG A 137 -10.033 -3.726 2.102 1.00 0.00 C ATOM 2105 O ARG A 137 -10.617 -2.929 2.800 1.00 0.00 O ATOM 2106 CB ARG A 137 -8.911 -5.467 3.520 1.00 0.00 C ATOM 2107 CG ARG A 137 -8.576 -4.292 4.455 1.00 0.00 C ATOM 2108 CD ARG A 137 -9.765 -3.851 5.317 1.00 0.00 C ATOM 2109 NE ARG A 137 -10.207 -4.893 6.247 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.337 -4.836 6.963 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -12.150 -3.784 6.867 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -11.651 -5.834 7.780 1.00 0.00 N ATOM 0 H ARG A 137 -9.056 -6.434 1.106 1.00 0.00 H new ATOM 0 HA ARG A 137 -10.967 -5.389 2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.205 -6.323 4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.007 -5.753 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -7.749 -4.578 5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.234 -3.446 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.489 -2.960 5.881 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.595 -3.573 4.668 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.615 -5.716 6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.914 -3.012 6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.008 -3.751 7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -11.032 -6.641 7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.511 -5.794 8.327 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.402 -3.335 1.017 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.494 -1.944 0.642 1.00 0.00 C ATOM 2128 C LEU A 138 -10.935 -1.671 0.305 1.00 0.00 C ATOM 2129 O LEU A 138 -11.482 -0.661 0.717 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.547 -1.604 -0.499 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.537 -0.156 -0.958 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.289 0.792 0.191 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.479 0.025 -2.013 1.00 0.00 C ATOM 0 H LEU A 138 -8.844 -3.930 0.404 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.182 -1.301 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.535 -1.873 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.801 -2.232 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.518 0.078 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.289 1.818 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.076 0.674 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.323 0.569 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.470 1.063 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.504 -0.233 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.696 -0.624 -2.861 1.00 0.00 H new ATOM 2145 N ARG A 139 -11.574 -2.626 -0.369 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.006 -2.552 -0.579 1.00 0.00 C ATOM 2147 C ARG A 139 -13.724 -2.673 0.758 1.00 0.00 C ATOM 2148 O ARG A 139 -14.790 -2.116 0.935 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.469 -3.633 -1.564 1.00 0.00 C ATOM 2150 CG ARG A 139 -14.902 -3.471 -2.064 1.00 0.00 C ATOM 2151 CD ARG A 139 -15.920 -4.055 -1.092 1.00 0.00 C ATOM 2152 NE ARG A 139 -15.601 -5.443 -0.749 1.00 0.00 N ATOM 2153 CZ ARG A 139 -16.313 -6.496 -1.158 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -17.386 -6.326 -1.922 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -15.945 -7.726 -0.812 1.00 0.00 N ATOM 0 H ARG A 139 -11.123 -3.448 -0.772 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.254 -1.586 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -12.797 -3.634 -2.423 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -13.374 -4.607 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.114 -2.413 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -15.005 -3.960 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -15.946 -3.452 -0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -16.915 -4.008 -1.534 1.00 0.00 H new ATOM 0 HE ARG A 139 -14.785 -5.616 -0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -17.671 -5.387 -2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -17.925 -7.135 -2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.117 -7.867 -0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -16.491 -8.529 -1.126 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.146 -3.401 1.701 1.00 0.00 N ATOM 2170 CA LYS A 140 -13.725 -3.502 3.014 1.00 0.00 C ATOM 2171 C LYS A 140 -13.664 -2.182 3.779 1.00 0.00 C ATOM 2172 O LYS A 140 -14.651 -1.717 4.309 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.009 -4.576 3.828 1.00 0.00 C ATOM 2174 CG LYS A 140 -13.824 -5.832 4.034 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.196 -7.018 3.358 1.00 0.00 C ATOM 2176 CE LYS A 140 -11.893 -7.425 4.028 1.00 0.00 C ATOM 2177 NZ LYS A 140 -12.120 -8.126 5.319 1.00 0.00 N ATOM 0 H LYS A 140 -12.280 -3.925 1.574 1.00 0.00 H new ATOM 0 HA LYS A 140 -14.773 -3.767 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.077 -4.837 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -12.743 -4.164 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -13.923 -6.031 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -14.830 -5.681 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -13.892 -7.857 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -13.008 -6.782 2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.330 -8.075 3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.283 -6.538 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.209 -8.444 5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -12.574 -7.476 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -12.736 -8.949 5.163 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.526 -1.555 3.782 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.334 -0.352 4.556 1.00 0.00 C ATOM 2193 C ALA A 141 -13.126 0.782 3.944 1.00 0.00 C ATOM 2194 O ALA A 141 -13.549 1.709 4.635 1.00 0.00 O ATOM 2195 CB ALA A 141 -10.864 -0.018 4.657 1.00 0.00 C ATOM 0 H ALA A 141 -11.706 -1.855 3.254 1.00 0.00 H new ATOM 0 HA ALA A 141 -12.701 -0.511 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -10.737 0.892 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.337 -0.839 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.456 0.135 3.658 1.00 0.00 H new ATOM 2201 N VAL A 142 -13.344 0.693 2.641 1.00 0.00 N ATOM 2202 CA VAL A 142 -14.078 1.706 1.944 1.00 0.00 C ATOM 2203 C VAL A 142 -15.536 1.309 1.860 1.00 0.00 C ATOM 2204 O VAL A 142 -16.387 2.119 1.504 1.00 0.00 O ATOM 2205 CB VAL A 142 -13.530 1.953 0.528 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -12.071 2.370 0.587 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -13.706 0.745 -0.377 1.00 0.00 C ATOM 0 H VAL A 142 -13.018 -0.076 2.055 1.00 0.00 H new ATOM 0 HA VAL A 142 -13.970 2.634 2.505 1.00 0.00 H new ATOM 0 HB VAL A 142 -14.113 2.765 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.700 2.540 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.978 3.288 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.486 1.581 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.304 0.969 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.175 -0.107 0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -14.766 0.506 -0.462 1.00 0.00 H new ATOM 2217 N GLU A 143 -15.824 0.048 2.177 1.00 0.00 N ATOM 2218 CA GLU A 143 -17.187 -0.444 2.086 1.00 0.00 C ATOM 2219 C GLU A 143 -17.466 -1.612 3.053 1.00 0.00 C ATOM 2220 O GLU A 143 -18.354 -1.511 3.899 1.00 0.00 O ATOM 2221 CB GLU A 143 -17.455 -0.832 0.628 1.00 0.00 C ATOM 2222 CG GLU A 143 -18.270 -2.085 0.463 1.00 0.00 C ATOM 2223 CD GLU A 143 -19.764 -1.851 0.618 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -20.431 -1.557 -0.395 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -20.278 -1.952 1.749 1.00 0.00 O ATOM 0 H GLU A 143 -15.140 -0.639 2.494 1.00 0.00 H new ATOM 0 HA GLU A 143 -17.872 0.346 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -17.971 -0.009 0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -16.501 -0.963 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -18.075 -2.510 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -17.946 -2.821 1.198 1.00 0.00 H new ATOM 2232 N GLU A 144 -16.660 -2.673 2.942 1.00 0.00 N ATOM 2233 CA GLU A 144 -16.888 -3.971 3.611 1.00 0.00 C ATOM 2234 C GLU A 144 -18.367 -4.346 3.718 1.00 0.00 C ATOM 2235 O GLU A 144 -18.982 -4.212 4.780 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.208 -4.048 4.997 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.631 -3.011 6.027 1.00 0.00 C ATOM 2238 CD GLU A 144 -15.721 -3.025 7.241 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -15.021 -4.046 7.460 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -15.693 -2.019 7.980 1.00 0.00 O ATOM 0 H GLU A 144 -15.812 -2.660 2.375 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.417 -4.708 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -16.397 -5.037 5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -15.131 -3.963 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -16.617 -2.020 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -17.657 -3.205 6.339 1.00 0.00 H new