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 102 HIS : no HE2:sc= -4.15! C(o=-4.2!,f=-4.6!) USER MOD Set 1.2: A 126 MET CE :methyl 149:sc= 0 (180deg=-0.134) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= 0.824 USER MOD Set 2.2: A 86 THR OG1 : rot -98:sc= 1.19 USER MOD Set 3.1: A 69 GLN : amide:sc= -0.0542 K(o=-0.82,f=-1.3) USER MOD Set 3.2: A 72 THR OG1 : rot -73:sc= -0.764! USER MOD Set 4.1: A 31 THR OG1 : rot 180:sc= -0.176 USER MOD Set 4.2: A 32 SER OG : rot 180:sc= 0.049 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= 1.28 (180deg=0.481) 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= -0.515 K(o=-0.51,f=-1.7!) USER MOD Single : A 24 LYS NZ :NH3+ -125:sc= 0.347 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 69:sc= 0.699 USER MOD Single : A 30 SER OG : rot 57:sc= -2.97! USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc=-0.00382 (180deg=-0.084) USER MOD Single : A 50 GLN : amide:sc= -19.1! C(o=-19!,f=-14!) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= -0.186 (180deg=-0.699) USER MOD Single : A 88 GLN : amide:sc= -0.429 K(o=-0.43,f=-3.7!) USER MOD Single : A 95 LYS NZ :NH3+ 149:sc= 0.897 (180deg=0.308) USER MOD Single : A 96 THR OG1 : rot -73:sc= -1.12! USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 164:sc= -0.0376 (180deg=-0.275) USER MOD Single : A 131 THR OG1 : rot -81:sc= 0.0384 USER MOD Single : A 135 ASN : amide:sc= -4.57! C(o=-4.6!,f=-7.3!) USER MOD Single : A 140 LYS NZ :NH3+ 173:sc= -0.0118 (180deg=-0.084) USER MOD ----------------------------------------------------------------- ATOM 159 N ILE A 12 4.362 -4.341 -9.533 1.00 0.00 N ATOM 160 CA ILE A 12 3.239 -5.156 -9.151 1.00 0.00 C ATOM 161 C ILE A 12 1.990 -4.320 -9.176 1.00 0.00 C ATOM 162 O ILE A 12 1.913 -3.272 -8.551 1.00 0.00 O ATOM 163 CB ILE A 12 3.456 -5.752 -7.733 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.331 -7.004 -7.817 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.139 -6.062 -7.021 1.00 0.00 C ATOM 166 CD1 ILE A 12 3.754 -8.098 -8.693 1.00 0.00 C ATOM 0 HA ILE A 12 3.139 -5.981 -9.856 1.00 0.00 H new ATOM 0 HB ILE A 12 3.966 -4.995 -7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.312 -6.725 -8.200 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.482 -7.398 -6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.347 -6.476 -6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.558 -5.146 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.571 -6.786 -7.606 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.431 -8.952 -8.702 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.786 -8.407 -8.299 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.629 -7.723 -9.709 1.00 0.00 H new ATOM 178 N THR A 13 1.019 -4.781 -9.916 1.00 0.00 N ATOM 179 CA THR A 13 -0.232 -4.105 -9.988 1.00 0.00 C ATOM 180 C THR A 13 -1.326 -5.020 -9.506 1.00 0.00 C ATOM 181 O THR A 13 -1.384 -6.193 -9.876 1.00 0.00 O ATOM 182 CB THR A 13 -0.518 -3.640 -11.423 1.00 0.00 C ATOM 183 OG1 THR A 13 0.256 -4.417 -12.349 1.00 0.00 O ATOM 184 CG2 THR A 13 -0.200 -2.162 -11.592 1.00 0.00 C ATOM 0 H THR A 13 1.079 -5.629 -10.479 1.00 0.00 H new ATOM 0 HA THR A 13 -0.193 -3.222 -9.350 1.00 0.00 H new ATOM 0 HB THR A 13 -1.579 -3.785 -11.626 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.069 -4.118 -13.263 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.412 -1.859 -12.617 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.814 -1.577 -10.907 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.854 -1.989 -11.373 1.00 0.00 H new ATOM 192 N LYS A 14 -2.163 -4.495 -8.651 1.00 0.00 N ATOM 193 CA LYS A 14 -3.310 -5.223 -8.180 1.00 0.00 C ATOM 194 C LYS A 14 -4.532 -4.379 -8.402 1.00 0.00 C ATOM 195 O LYS A 14 -4.572 -3.221 -8.003 1.00 0.00 O ATOM 196 CB LYS A 14 -3.137 -5.590 -6.705 1.00 0.00 C ATOM 197 CG LYS A 14 -2.248 -6.809 -6.520 1.00 0.00 C ATOM 198 CD LYS A 14 -2.923 -8.069 -7.044 1.00 0.00 C ATOM 199 CE LYS A 14 -1.914 -9.088 -7.553 1.00 0.00 C ATOM 200 NZ LYS A 14 -1.400 -8.731 -8.903 1.00 0.00 N ATOM 0 H LYS A 14 -2.070 -3.556 -8.264 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.419 -6.157 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.707 -4.744 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.114 -5.784 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.303 -6.656 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.012 -6.933 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.521 -8.517 -6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.609 -7.805 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.081 -9.155 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.379 -10.073 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.401 -9.010 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.955 -9.229 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.485 -7.704 -9.046 1.00 0.00 H new ATOM 214 N SER A 15 -5.531 -4.951 -9.019 1.00 0.00 N ATOM 215 CA SER A 15 -6.664 -4.177 -9.419 1.00 0.00 C ATOM 216 C SER A 15 -7.929 -4.735 -8.819 1.00 0.00 C ATOM 217 O SER A 15 -8.153 -5.948 -8.774 1.00 0.00 O ATOM 218 CB SER A 15 -6.773 -4.183 -10.931 1.00 0.00 C ATOM 219 OG SER A 15 -5.490 -4.261 -11.537 1.00 0.00 O ATOM 0 H SER A 15 -5.579 -5.943 -9.252 1.00 0.00 H new ATOM 0 HA SER A 15 -6.532 -3.155 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.382 -5.029 -11.251 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.282 -3.279 -11.265 1.00 0.00 H new ATOM 0 HG SER A 15 -5.588 -4.265 -12.512 1.00 0.00 H new ATOM 225 N ILE A 16 -8.724 -3.823 -8.340 1.00 0.00 N ATOM 226 CA ILE A 16 -9.995 -4.111 -7.757 1.00 0.00 C ATOM 227 C ILE A 16 -10.895 -2.913 -7.920 1.00 0.00 C ATOM 228 O ILE A 16 -10.434 -1.774 -7.936 1.00 0.00 O ATOM 229 CB ILE A 16 -9.880 -4.469 -6.267 1.00 0.00 C ATOM 230 CG1 ILE A 16 -11.266 -4.398 -5.619 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.864 -3.579 -5.563 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.420 -3.411 -4.493 1.00 0.00 C ATOM 0 H ILE A 16 -8.495 -2.829 -8.346 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.412 -4.977 -8.271 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.510 -5.490 -6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.994 -4.153 -6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.521 -5.389 -5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.805 -3.856 -4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.886 -3.706 -6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.173 -2.537 -5.647 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.441 -3.449 -4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.725 -3.662 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.206 -2.406 -4.858 1.00 0.00 H new ATOM 244 N THR A 17 -12.165 -3.159 -8.046 1.00 0.00 N ATOM 245 CA THR A 17 -13.103 -2.082 -8.040 1.00 0.00 C ATOM 246 C THR A 17 -13.635 -1.905 -6.631 1.00 0.00 C ATOM 247 O THR A 17 -14.253 -2.810 -6.068 1.00 0.00 O ATOM 248 CB THR A 17 -14.268 -2.363 -8.990 1.00 0.00 C ATOM 249 OG1 THR A 17 -13.777 -2.601 -10.316 1.00 0.00 O ATOM 250 CG2 THR A 17 -15.237 -1.201 -8.998 1.00 0.00 C ATOM 0 H THR A 17 -12.571 -4.089 -8.153 1.00 0.00 H new ATOM 0 HA THR A 17 -12.600 -1.175 -8.375 1.00 0.00 H new ATOM 0 HB THR A 17 -14.793 -3.252 -8.641 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.530 -2.782 -10.916 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.060 -1.418 -9.679 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.629 -1.047 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.721 -0.299 -9.328 1.00 0.00 H new ATOM 258 N LEU A 18 -13.406 -0.734 -6.068 1.00 0.00 N ATOM 259 CA LEU A 18 -13.898 -0.420 -4.763 1.00 0.00 C ATOM 260 C LEU A 18 -15.225 0.203 -4.978 1.00 0.00 C ATOM 261 O LEU A 18 -15.299 1.298 -5.514 1.00 0.00 O ATOM 262 CB LEU A 18 -12.998 0.599 -4.054 1.00 0.00 C ATOM 263 CG LEU A 18 -11.534 0.222 -3.932 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.696 1.440 -3.599 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.342 -0.834 -2.864 1.00 0.00 C ATOM 0 H LEU A 18 -12.874 0.016 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.935 -1.317 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.065 1.547 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.394 0.769 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.210 -0.181 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.649 1.149 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.804 2.183 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.031 1.865 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.285 -1.091 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.688 -0.449 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.915 -1.724 -3.125 1.00 0.00 H new ATOM 277 N GLU A 19 -16.287 -0.469 -4.651 1.00 0.00 N ATOM 278 CA GLU A 19 -17.533 0.199 -4.794 1.00 0.00 C ATOM 279 C GLU A 19 -17.632 1.186 -3.649 1.00 0.00 C ATOM 280 O GLU A 19 -18.183 0.891 -2.598 1.00 0.00 O ATOM 281 CB GLU A 19 -18.638 -0.846 -4.739 1.00 0.00 C ATOM 282 CG GLU A 19 -18.217 -2.093 -3.968 1.00 0.00 C ATOM 283 CD GLU A 19 -19.320 -3.118 -3.858 1.00 0.00 C ATOM 284 OE1 GLU A 19 -20.121 -3.032 -2.906 1.00 0.00 O ATOM 285 OE2 GLU A 19 -19.392 -4.017 -4.722 1.00 0.00 O ATOM 0 H GLU A 19 -16.316 -1.427 -4.302 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.623 0.734 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.522 -0.413 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.920 -1.127 -5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.356 -2.545 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.896 -1.804 -2.967 1.00 0.00 H new ATOM 292 N ALA A 20 -17.102 2.372 -3.891 1.00 0.00 N ATOM 293 CA ALA A 20 -17.072 3.417 -2.892 1.00 0.00 C ATOM 294 C ALA A 20 -16.983 4.771 -3.557 1.00 0.00 C ATOM 295 O ALA A 20 -16.677 4.860 -4.732 1.00 0.00 O ATOM 296 CB ALA A 20 -15.896 3.207 -1.956 1.00 0.00 C ATOM 0 H ALA A 20 -16.683 2.634 -4.783 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.993 3.377 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.881 3.999 -1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.993 2.241 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.968 3.231 -2.527 1.00 0.00 H new ATOM 302 N PRO A 21 -17.201 5.847 -2.824 1.00 0.00 N ATOM 303 CA PRO A 21 -16.873 7.173 -3.313 1.00 0.00 C ATOM 304 C PRO A 21 -15.387 7.461 -3.101 1.00 0.00 C ATOM 305 O PRO A 21 -14.755 6.832 -2.242 1.00 0.00 O ATOM 306 CB PRO A 21 -17.726 8.069 -2.437 1.00 0.00 C ATOM 307 CG PRO A 21 -17.781 7.341 -1.134 1.00 0.00 C ATOM 308 CD PRO A 21 -17.765 5.873 -1.468 1.00 0.00 C ATOM 0 HA PRO A 21 -17.059 7.309 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.283 9.058 -2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.721 8.211 -2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.931 7.606 -0.505 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.682 7.604 -0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.153 5.306 -0.766 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.766 5.442 -1.439 1.00 0.00 H new ATOM 316 N ILE A 22 -14.831 8.404 -3.854 1.00 0.00 N ATOM 317 CA ILE A 22 -13.405 8.739 -3.742 1.00 0.00 C ATOM 318 C ILE A 22 -13.036 9.087 -2.300 1.00 0.00 C ATOM 319 O ILE A 22 -11.945 8.793 -1.826 1.00 0.00 O ATOM 320 CB ILE A 22 -13.033 9.908 -4.690 1.00 0.00 C ATOM 321 CG1 ILE A 22 -11.573 10.320 -4.497 1.00 0.00 C ATOM 322 CG2 ILE A 22 -13.961 11.095 -4.488 1.00 0.00 C ATOM 323 CD1 ILE A 22 -11.091 11.371 -5.473 1.00 0.00 C ATOM 0 H ILE A 22 -15.339 8.952 -4.548 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.834 7.860 -4.040 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.156 9.559 -5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.445 10.696 -3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.942 9.436 -4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.676 11.899 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.988 10.793 -4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.886 11.445 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.047 11.607 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.184 10.992 -6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.694 12.272 -5.364 1.00 0.00 H new ATOM 335 N GLN A 23 -13.996 9.662 -1.616 1.00 0.00 N ATOM 336 CA GLN A 23 -13.856 10.133 -0.246 1.00 0.00 C ATOM 337 C GLN A 23 -13.689 9.007 0.797 1.00 0.00 C ATOM 338 O GLN A 23 -13.043 9.209 1.823 1.00 0.00 O ATOM 339 CB GLN A 23 -15.064 10.982 0.061 1.00 0.00 C ATOM 340 CG GLN A 23 -16.329 10.235 -0.225 1.00 0.00 C ATOM 341 CD GLN A 23 -17.460 11.137 -0.679 1.00 0.00 C ATOM 342 OE1 GLN A 23 -17.235 12.155 -1.331 1.00 0.00 O ATOM 343 NE2 GLN A 23 -18.679 10.778 -0.319 1.00 0.00 N ATOM 0 H GLN A 23 -14.926 9.823 -2.003 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.932 10.707 -0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.044 11.284 1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -15.033 11.894 -0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -16.137 9.487 -0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.638 9.698 0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -18.821 9.925 0.222 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -19.479 11.354 -0.582 1.00 0.00 H new ATOM 352 N LYS A 24 -14.277 7.836 0.579 1.00 0.00 N ATOM 353 CA LYS A 24 -14.106 6.757 1.552 1.00 0.00 C ATOM 354 C LYS A 24 -12.783 6.039 1.322 1.00 0.00 C ATOM 355 O LYS A 24 -12.083 5.660 2.258 1.00 0.00 O ATOM 356 CB LYS A 24 -15.264 5.762 1.489 1.00 0.00 C ATOM 357 CG LYS A 24 -16.492 6.207 2.262 1.00 0.00 C ATOM 358 CD LYS A 24 -17.536 5.108 2.310 1.00 0.00 C ATOM 359 CE LYS A 24 -18.663 5.438 3.271 1.00 0.00 C ATOM 360 NZ LYS A 24 -19.660 4.337 3.338 1.00 0.00 N ATOM 0 H LYS A 24 -14.856 7.611 -0.230 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.099 7.204 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.539 5.604 0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.928 4.801 1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.206 6.485 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.917 7.096 1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.945 4.952 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.064 4.173 2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -18.254 5.621 4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.155 6.358 2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -20.606 4.712 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.415 3.604 2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.657 3.924 4.292 1.00 0.00 H new ATOM 374 N VAL A 25 -12.429 5.898 0.066 1.00 0.00 N ATOM 375 CA VAL A 25 -11.094 5.477 -0.318 1.00 0.00 C ATOM 376 C VAL A 25 -10.072 6.513 0.157 1.00 0.00 C ATOM 377 O VAL A 25 -8.948 6.182 0.507 1.00 0.00 O ATOM 378 CB VAL A 25 -10.981 5.235 -1.834 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.697 4.480 -2.136 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.200 4.466 -2.346 1.00 0.00 C ATOM 0 H VAL A 25 -13.055 6.071 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.883 4.523 0.165 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.952 6.195 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.619 4.310 -3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.842 5.066 -1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.708 3.522 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.103 4.304 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.263 3.504 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.104 5.042 -2.146 1.00 0.00 H new ATOM 390 N TRP A 26 -10.484 7.769 0.141 1.00 0.00 N ATOM 391 CA TRP A 26 -9.697 8.885 0.679 1.00 0.00 C ATOM 392 C TRP A 26 -9.334 8.607 2.115 1.00 0.00 C ATOM 393 O TRP A 26 -8.220 8.860 2.543 1.00 0.00 O ATOM 394 CB TRP A 26 -10.595 10.108 0.669 1.00 0.00 C ATOM 395 CG TRP A 26 -9.955 11.435 0.486 1.00 0.00 C ATOM 396 CD1 TRP A 26 -9.043 12.083 1.266 1.00 0.00 C ATOM 397 CD2 TRP A 26 -10.275 12.300 -0.574 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.770 13.322 0.717 1.00 0.00 N ATOM 399 CE2 TRP A 26 -9.526 13.470 -0.425 1.00 0.00 C ATOM 400 CE3 TRP A 26 -11.135 12.165 -1.646 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -9.625 14.523 -1.336 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -11.242 13.184 -2.545 1.00 0.00 C ATOM 403 CH2 TRP A 26 -10.491 14.362 -2.395 1.00 0.00 C ATOM 0 H TRP A 26 -11.383 8.054 -0.248 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.792 9.027 0.088 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.329 9.978 -0.126 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.144 10.128 1.610 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.603 11.690 2.171 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -8.119 14.010 1.094 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.716 11.263 -1.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -9.046 15.427 -1.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.914 13.084 -3.385 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.594 15.154 -3.122 1.00 0.00 H new ATOM 414 N GLU A 27 -10.314 8.115 2.842 1.00 0.00 N ATOM 415 CA GLU A 27 -10.135 7.644 4.202 1.00 0.00 C ATOM 416 C GLU A 27 -9.262 6.390 4.235 1.00 0.00 C ATOM 417 O GLU A 27 -8.650 6.068 5.253 1.00 0.00 O ATOM 418 CB GLU A 27 -11.497 7.343 4.813 1.00 0.00 C ATOM 419 CG GLU A 27 -11.469 7.131 6.316 1.00 0.00 C ATOM 420 CD GLU A 27 -10.926 8.338 7.051 1.00 0.00 C ATOM 421 OE1 GLU A 27 -11.253 9.477 6.655 1.00 0.00 O ATOM 422 OE2 GLU A 27 -10.179 8.159 8.031 1.00 0.00 O ATOM 0 H GLU A 27 -11.272 8.029 2.502 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.634 8.421 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.175 8.166 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.907 6.451 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.477 6.915 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.856 6.260 6.548 1.00 0.00 H new ATOM 429 N THR A 28 -9.295 5.630 3.153 1.00 0.00 N ATOM 430 CA THR A 28 -8.658 4.328 3.122 1.00 0.00 C ATOM 431 C THR A 28 -7.272 4.221 2.423 1.00 0.00 C ATOM 432 O THR A 28 -6.657 3.175 2.508 1.00 0.00 O ATOM 433 CB THR A 28 -9.619 3.270 2.584 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.917 3.471 3.163 1.00 0.00 O ATOM 435 CG2 THR A 28 -9.130 1.895 2.974 1.00 0.00 C ATOM 0 H THR A 28 -9.758 5.895 2.283 1.00 0.00 H new ATOM 0 HA THR A 28 -8.419 4.145 4.170 1.00 0.00 H new ATOM 0 HB THR A 28 -9.671 3.353 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.306 4.300 2.815 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.817 1.142 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.138 1.729 2.554 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.082 1.821 4.060 1.00 0.00 H new ATOM 443 N VAL A 29 -6.766 5.232 1.712 1.00 0.00 N ATOM 444 CA VAL A 29 -5.484 5.044 0.987 1.00 0.00 C ATOM 445 C VAL A 29 -4.464 6.168 1.206 1.00 0.00 C ATOM 446 O VAL A 29 -3.385 5.934 1.728 1.00 0.00 O ATOM 447 CB VAL A 29 -5.653 4.796 -0.537 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.415 3.522 -0.783 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.318 5.961 -1.245 1.00 0.00 C ATOM 0 H VAL A 29 -7.193 6.154 1.617 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.086 4.137 1.441 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.652 4.699 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.524 3.365 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.872 2.683 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.401 3.594 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.412 5.736 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.308 6.127 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.713 6.858 -1.117 1.00 0.00 H new ATOM 459 N SER A 30 -4.763 7.377 0.803 1.00 0.00 N ATOM 460 CA SER A 30 -3.787 8.449 0.950 1.00 0.00 C ATOM 461 C SER A 30 -4.084 9.238 2.204 1.00 0.00 C ATOM 462 O SER A 30 -4.437 10.416 2.156 1.00 0.00 O ATOM 463 CB SER A 30 -3.797 9.344 -0.275 1.00 0.00 C ATOM 464 OG SER A 30 -5.109 9.789 -0.563 1.00 0.00 O ATOM 0 H SER A 30 -5.650 7.649 0.379 1.00 0.00 H new ATOM 0 HA SER A 30 -2.789 8.019 1.040 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.146 10.202 -0.109 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.397 8.801 -1.131 1.00 0.00 H new ATOM 0 HG SER A 30 -5.476 10.253 0.218 1.00 0.00 H new ATOM 470 N THR A 31 -3.981 8.560 3.323 1.00 0.00 N ATOM 471 CA THR A 31 -4.541 9.056 4.547 1.00 0.00 C ATOM 472 C THR A 31 -3.859 8.432 5.759 1.00 0.00 C ATOM 473 O THR A 31 -2.853 7.740 5.630 1.00 0.00 O ATOM 474 CB THR A 31 -6.060 8.829 4.538 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.672 9.194 5.783 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.355 7.387 4.193 1.00 0.00 C ATOM 0 H THR A 31 -3.511 7.659 3.406 1.00 0.00 H new ATOM 0 HA THR A 31 -4.361 10.128 4.623 1.00 0.00 H new ATOM 0 HB THR A 31 -6.493 9.479 3.777 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.638 9.035 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.433 7.228 4.187 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.949 7.158 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.896 6.734 4.935 1.00 0.00 H new ATOM 484 N SER A 32 -4.388 8.750 6.917 1.00 0.00 N ATOM 485 CA SER A 32 -3.949 8.227 8.194 1.00 0.00 C ATOM 486 C SER A 32 -4.140 6.718 8.258 1.00 0.00 C ATOM 487 O SER A 32 -4.594 6.092 7.295 1.00 0.00 O ATOM 488 CB SER A 32 -4.704 8.877 9.341 1.00 0.00 C ATOM 489 OG SER A 32 -6.052 9.150 8.987 1.00 0.00 O ATOM 0 H SER A 32 -5.166 9.405 7.001 1.00 0.00 H new ATOM 0 HA SER A 32 -2.888 8.459 8.291 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.681 8.221 10.211 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.207 9.804 9.627 1.00 0.00 H new ATOM 0 HG SER A 32 -6.512 9.566 9.746 1.00 0.00 H new ATOM 495 N GLU A 33 -3.671 6.141 9.362 1.00 0.00 N ATOM 496 CA GLU A 33 -3.459 4.702 9.542 1.00 0.00 C ATOM 497 C GLU A 33 -4.648 3.846 9.093 1.00 0.00 C ATOM 498 O GLU A 33 -4.543 2.622 9.066 1.00 0.00 O ATOM 499 CB GLU A 33 -3.201 4.420 11.018 1.00 0.00 C ATOM 500 CG GLU A 33 -2.285 5.430 11.679 1.00 0.00 C ATOM 501 CD GLU A 33 -2.204 5.247 13.178 1.00 0.00 C ATOM 502 OE1 GLU A 33 -1.351 4.461 13.642 1.00 0.00 O ATOM 503 OE2 GLU A 33 -2.989 5.898 13.901 1.00 0.00 O ATOM 0 H GLU A 33 -3.418 6.682 10.189 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.608 4.432 8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.153 4.405 11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.764 3.426 11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.286 5.344 11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.640 6.437 11.458 1.00 0.00 H new ATOM 510 N GLY A 34 -5.770 4.471 8.761 1.00 0.00 N ATOM 511 CA GLY A 34 -6.865 3.728 8.179 1.00 0.00 C ATOM 512 C GLY A 34 -6.431 3.030 6.907 1.00 0.00 C ATOM 513 O GLY A 34 -6.812 1.881 6.671 1.00 0.00 O ATOM 0 H GLY A 34 -5.939 5.469 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.231 2.992 8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.693 4.403 7.963 1.00 0.00 H new ATOM 517 N ILE A 35 -5.631 3.707 6.076 1.00 0.00 N ATOM 518 CA ILE A 35 -5.042 3.058 4.938 1.00 0.00 C ATOM 519 C ILE A 35 -3.977 2.070 5.375 1.00 0.00 C ATOM 520 O ILE A 35 -3.835 0.974 4.831 1.00 0.00 O ATOM 521 CB ILE A 35 -4.462 4.059 3.931 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.584 3.347 2.898 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.694 5.168 4.620 1.00 0.00 C ATOM 524 CD1 ILE A 35 -2.107 3.473 3.188 1.00 0.00 C ATOM 0 H ILE A 35 -5.389 4.692 6.182 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.842 2.517 4.432 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.301 4.519 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.853 2.291 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.790 3.758 1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.299 5.856 3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.360 5.707 5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.870 4.740 5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.539 2.947 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.825 4.526 3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.889 3.037 4.163 1.00 0.00 H new ATOM 536 N ALA A 36 -3.226 2.483 6.369 1.00 0.00 N ATOM 537 CA ALA A 36 -2.159 1.658 6.915 1.00 0.00 C ATOM 538 C ALA A 36 -2.684 0.293 7.369 1.00 0.00 C ATOM 539 O ALA A 36 -1.970 -0.699 7.302 1.00 0.00 O ATOM 540 CB ALA A 36 -1.465 2.377 8.053 1.00 0.00 C ATOM 0 H ALA A 36 -3.331 3.391 6.823 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.431 1.481 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.670 1.747 8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.039 3.311 7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.186 2.591 8.842 1.00 0.00 H new ATOM 689 N GLN A 45 0.479 9.422 6.509 1.00 0.00 N ATOM 690 CA GLN A 45 -0.245 10.668 6.421 1.00 0.00 C ATOM 691 C GLN A 45 -0.001 11.149 5.024 1.00 0.00 C ATOM 692 O GLN A 45 1.124 10.998 4.547 1.00 0.00 O ATOM 693 CB GLN A 45 0.307 11.690 7.423 1.00 0.00 C ATOM 694 CG GLN A 45 0.246 11.239 8.871 1.00 0.00 C ATOM 695 CD GLN A 45 0.897 12.233 9.811 1.00 0.00 C ATOM 696 OE1 GLN A 45 2.094 12.159 10.084 1.00 0.00 O ATOM 697 NE2 GLN A 45 0.115 13.176 10.310 1.00 0.00 N ATOM 0 HA GLN A 45 -1.304 10.539 6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.343 11.910 7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.251 12.620 7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.795 11.096 9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.740 10.272 8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.873 13.204 10.060 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.500 13.875 10.945 1.00 0.00 H new ATOM 706 N LEU A 46 -0.986 11.694 4.328 1.00 0.00 N ATOM 707 CA LEU A 46 -0.699 12.054 2.963 1.00 0.00 C ATOM 708 C LEU A 46 0.178 13.296 2.976 1.00 0.00 C ATOM 709 O LEU A 46 -0.249 14.431 3.195 1.00 0.00 O ATOM 710 CB LEU A 46 -1.966 12.208 2.103 1.00 0.00 C ATOM 711 CG LEU A 46 -2.761 13.506 2.252 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.802 13.617 1.149 1.00 0.00 C ATOM 713 CD2 LEU A 46 -3.431 13.579 3.617 1.00 0.00 C ATOM 0 H LEU A 46 -1.930 11.885 4.663 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.156 11.242 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.678 12.107 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.632 11.376 2.332 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.066 14.342 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.360 14.546 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.306 13.613 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.487 12.772 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.990 14.511 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.112 12.736 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.671 13.542 4.398 1.00 0.00 H new ATOM 725 N LYS A 47 1.434 12.998 2.777 1.00 0.00 N ATOM 726 CA LYS A 47 2.533 13.919 2.863 1.00 0.00 C ATOM 727 C LYS A 47 3.376 13.724 1.647 1.00 0.00 C ATOM 728 O LYS A 47 3.285 12.693 1.037 1.00 0.00 O ATOM 729 CB LYS A 47 3.341 13.669 4.124 1.00 0.00 C ATOM 730 CG LYS A 47 2.807 14.423 5.321 1.00 0.00 C ATOM 731 CD LYS A 47 3.494 14.002 6.612 1.00 0.00 C ATOM 732 CE LYS A 47 2.932 14.734 7.821 1.00 0.00 C ATOM 733 NZ LYS A 47 3.185 16.198 7.760 1.00 0.00 N ATOM 0 H LYS A 47 1.733 12.053 2.537 1.00 0.00 H new ATOM 0 HA LYS A 47 2.169 14.945 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.342 12.601 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.377 13.960 3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.947 15.493 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.734 14.252 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.376 12.927 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.563 14.198 6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.859 14.555 7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.378 14.328 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.892 16.639 8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.199 16.369 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.641 16.612 6.976 1.00 0.00 H new ATOM 747 N GLU A 48 4.079 14.722 1.217 1.00 0.00 N ATOM 748 CA GLU A 48 4.966 14.555 0.081 1.00 0.00 C ATOM 749 C GLU A 48 6.395 14.928 0.421 1.00 0.00 C ATOM 750 O GLU A 48 6.650 15.987 0.990 1.00 0.00 O ATOM 751 CB GLU A 48 4.453 15.305 -1.122 1.00 0.00 C ATOM 752 CG GLU A 48 3.352 14.569 -1.844 1.00 0.00 C ATOM 753 CD GLU A 48 2.598 15.488 -2.773 1.00 0.00 C ATOM 754 OE1 GLU A 48 1.776 16.293 -2.290 1.00 0.00 O ATOM 755 OE2 GLU A 48 2.848 15.425 -3.993 1.00 0.00 O ATOM 0 H GLU A 48 4.066 15.658 1.622 1.00 0.00 H new ATOM 0 HA GLU A 48 4.977 13.496 -0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.085 16.281 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.278 15.483 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.776 13.742 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.663 14.137 -1.118 1.00 0.00 H new ATOM 762 N GLY A 49 7.308 14.038 0.076 1.00 0.00 N ATOM 763 CA GLY A 49 8.724 14.243 0.338 1.00 0.00 C ATOM 764 C GLY A 49 8.990 14.521 1.799 1.00 0.00 C ATOM 765 O GLY A 49 9.786 15.385 2.158 1.00 0.00 O ATOM 0 H GLY A 49 7.092 13.157 -0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.282 13.360 0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.088 15.077 -0.263 1.00 0.00 H new ATOM 769 N GLN A 50 8.277 13.793 2.626 1.00 0.00 N ATOM 770 CA GLN A 50 8.285 13.953 4.050 1.00 0.00 C ATOM 771 C GLN A 50 9.017 12.781 4.634 1.00 0.00 C ATOM 772 O GLN A 50 9.363 11.856 3.905 1.00 0.00 O ATOM 773 CB GLN A 50 6.839 13.978 4.544 1.00 0.00 C ATOM 774 CG GLN A 50 6.290 12.606 4.852 1.00 0.00 C ATOM 775 CD GLN A 50 6.258 11.758 3.620 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.519 10.573 3.668 1.00 0.00 O ATOM 777 NE2 GLN A 50 5.925 12.372 2.500 1.00 0.00 N ATOM 0 H GLN A 50 7.656 13.049 2.309 1.00 0.00 H new ATOM 0 HA GLN A 50 8.775 14.880 4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.779 14.595 5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.212 14.451 3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.905 12.126 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.285 12.696 5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.714 13.370 2.509 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.879 11.849 1.626 1.00 0.00 H new ATOM 786 N GLU A 51 9.274 12.800 5.910 1.00 0.00 N ATOM 787 CA GLU A 51 9.604 11.565 6.559 1.00 0.00 C ATOM 788 C GLU A 51 8.661 11.343 7.733 1.00 0.00 C ATOM 789 O GLU A 51 8.492 12.220 8.577 1.00 0.00 O ATOM 790 CB GLU A 51 11.068 11.558 6.990 1.00 0.00 C ATOM 791 CG GLU A 51 12.024 11.696 5.815 1.00 0.00 C ATOM 792 CD GLU A 51 13.481 11.658 6.220 1.00 0.00 C ATOM 793 OE1 GLU A 51 14.010 12.697 6.653 1.00 0.00 O ATOM 794 OE2 GLU A 51 14.111 10.596 6.086 1.00 0.00 O ATOM 0 H GLU A 51 9.263 13.628 6.506 1.00 0.00 H new ATOM 0 HA GLU A 51 9.477 10.738 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.240 12.374 7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.282 10.631 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.831 10.894 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.822 12.635 5.300 1.00 0.00 H new ATOM 966 N CYS A 63 9.853 6.601 6.523 1.00 0.00 N ATOM 967 CA CYS A 63 9.186 6.457 5.253 1.00 0.00 C ATOM 968 C CYS A 63 9.044 7.833 4.616 1.00 0.00 C ATOM 969 O CYS A 63 9.011 8.836 5.328 1.00 0.00 O ATOM 970 CB CYS A 63 7.826 5.810 5.483 1.00 0.00 C ATOM 971 SG CYS A 63 7.895 4.297 6.468 1.00 0.00 S ATOM 0 HA CYS A 63 9.761 5.821 4.579 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.173 6.527 5.981 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.374 5.583 4.517 1.00 0.00 H new ATOM 0 HG CYS A 63 6.695 3.819 6.614 1.00 0.00 H new ATOM 977 N LYS A 64 8.958 7.888 3.293 1.00 0.00 N ATOM 978 CA LYS A 64 8.957 9.165 2.588 1.00 0.00 C ATOM 979 C LYS A 64 8.069 9.073 1.362 1.00 0.00 C ATOM 980 O LYS A 64 8.196 8.135 0.568 1.00 0.00 O ATOM 981 CB LYS A 64 10.393 9.546 2.190 1.00 0.00 C ATOM 982 CG LYS A 64 11.149 8.452 1.446 1.00 0.00 C ATOM 983 CD LYS A 64 12.615 8.815 1.262 1.00 0.00 C ATOM 984 CE LYS A 64 13.406 7.679 0.631 1.00 0.00 C ATOM 985 NZ LYS A 64 13.016 7.439 -0.784 1.00 0.00 N ATOM 0 H LYS A 64 8.888 7.069 2.689 1.00 0.00 H new ATOM 0 HA LYS A 64 8.564 9.940 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.360 10.438 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.949 9.808 3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.071 7.515 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.688 8.288 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.693 9.703 0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.051 9.067 2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.470 7.910 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.252 6.767 1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.184 6.442 -1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.007 7.660 -0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.583 8.047 -1.408 1.00 0.00 H new ATOM 999 N VAL A 65 7.146 10.015 1.205 1.00 0.00 N ATOM 1000 CA VAL A 65 6.276 9.980 0.056 1.00 0.00 C ATOM 1001 C VAL A 65 6.972 10.597 -1.132 1.00 0.00 C ATOM 1002 O VAL A 65 7.526 11.685 -1.044 1.00 0.00 O ATOM 1003 CB VAL A 65 4.956 10.720 0.295 1.00 0.00 C ATOM 1004 CG1 VAL A 65 4.142 10.802 -0.978 1.00 0.00 C ATOM 1005 CG2 VAL A 65 4.128 10.050 1.381 1.00 0.00 C ATOM 0 H VAL A 65 6.989 10.792 1.847 1.00 0.00 H new ATOM 0 HA VAL A 65 6.044 8.932 -0.133 1.00 0.00 H new ATOM 0 HB VAL A 65 5.212 11.727 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.210 11.332 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.710 11.337 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.919 9.796 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.199 10.602 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.900 9.026 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.691 10.041 2.314 1.00 0.00 H new ATOM 1015 N LEU A 66 6.951 9.889 -2.232 1.00 0.00 N ATOM 1016 CA LEU A 66 7.451 10.412 -3.476 1.00 0.00 C ATOM 1017 C LEU A 66 6.524 11.495 -3.984 1.00 0.00 C ATOM 1018 O LEU A 66 6.952 12.594 -4.332 1.00 0.00 O ATOM 1019 CB LEU A 66 7.547 9.294 -4.504 1.00 0.00 C ATOM 1020 CG LEU A 66 8.884 8.569 -4.529 1.00 0.00 C ATOM 1021 CD1 LEU A 66 8.938 7.533 -3.422 1.00 0.00 C ATOM 1022 CD2 LEU A 66 9.122 7.938 -5.890 1.00 0.00 C ATOM 0 H LEU A 66 6.588 8.937 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 66 8.442 10.835 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.759 8.568 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.356 9.710 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 66 9.682 9.291 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.900 7.021 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.817 8.025 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.136 6.808 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.083 7.424 -5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.328 7.223 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.126 8.714 -6.655 1.00 0.00 H new ATOM 1034 N ALA A 67 5.251 11.163 -4.018 1.00 0.00 N ATOM 1035 CA ALA A 67 4.231 12.048 -4.514 1.00 0.00 C ATOM 1036 C ALA A 67 2.904 11.625 -3.944 1.00 0.00 C ATOM 1037 O ALA A 67 2.646 10.432 -3.795 1.00 0.00 O ATOM 1038 CB ALA A 67 4.180 12.022 -6.023 1.00 0.00 C ATOM 0 H ALA A 67 4.897 10.262 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 67 4.462 13.068 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.401 12.699 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.143 12.338 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.960 11.010 -6.362 1.00 0.00 H new ATOM 1044 N VAL A 68 2.067 12.568 -3.617 1.00 0.00 N ATOM 1045 CA VAL A 68 0.761 12.222 -3.128 1.00 0.00 C ATOM 1046 C VAL A 68 -0.295 13.137 -3.721 1.00 0.00 C ATOM 1047 O VAL A 68 -0.119 14.349 -3.826 1.00 0.00 O ATOM 1048 CB VAL A 68 0.664 12.189 -1.581 1.00 0.00 C ATOM 1049 CG1 VAL A 68 0.361 13.559 -0.989 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.383 11.173 -1.170 1.00 0.00 C ATOM 0 H VAL A 68 2.260 13.568 -3.678 1.00 0.00 H new ATOM 0 HA VAL A 68 0.574 11.201 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 68 1.636 11.895 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.303 13.482 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.153 14.256 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.591 13.921 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.456 11.145 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.348 11.454 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.099 10.188 -1.540 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.372 12.528 -4.142 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.438 13.219 -4.821 1.00 0.00 C ATOM 1062 C GLN A 69 -3.756 12.653 -4.373 1.00 0.00 C ATOM 1063 O GLN A 69 -3.914 11.429 -4.286 1.00 0.00 O ATOM 1064 CB GLN A 69 -2.294 13.056 -6.318 1.00 0.00 C ATOM 1065 CG GLN A 69 -2.229 14.373 -7.072 1.00 0.00 C ATOM 1066 CD GLN A 69 -3.487 15.197 -6.887 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -3.577 16.023 -5.981 1.00 0.00 O ATOM 1068 NE2 GLN A 69 -4.480 14.952 -7.724 1.00 0.00 N ATOM 0 H GLN A 69 -1.536 11.528 -4.022 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.392 14.281 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.391 12.483 -6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.135 12.473 -6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.367 14.945 -6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.078 14.176 -8.133 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.365 14.258 -8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.362 15.457 -7.631 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.718 13.535 -4.194 1.00 0.00 N ATOM 1078 CA ALA A 70 -5.937 13.196 -3.492 1.00 0.00 C ATOM 1079 C ALA A 70 -6.678 12.156 -4.289 1.00 0.00 C ATOM 1080 O ALA A 70 -6.957 12.370 -5.468 1.00 0.00 O ATOM 1081 CB ALA A 70 -6.808 14.425 -3.289 1.00 0.00 C ATOM 0 H ALA A 70 -4.677 14.498 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.688 12.802 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.718 14.143 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.262 15.165 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.070 14.850 -4.258 1.00 0.00 H new ATOM 1087 N PRO A 71 -7.044 11.051 -3.612 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.322 9.755 -4.189 1.00 0.00 C ATOM 1089 C PRO A 71 -7.283 9.706 -5.705 1.00 0.00 C ATOM 1090 O PRO A 71 -8.295 9.553 -6.382 1.00 0.00 O ATOM 1091 CB PRO A 71 -8.680 9.501 -3.580 1.00 0.00 C ATOM 1092 CG PRO A 71 -8.470 9.934 -2.161 1.00 0.00 C ATOM 1093 CD PRO A 71 -7.366 10.984 -2.188 1.00 0.00 C ATOM 0 HA PRO A 71 -6.575 8.992 -3.973 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.462 10.079 -4.072 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.968 8.452 -3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.388 10.347 -1.741 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.186 9.088 -1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.707 11.944 -1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.505 10.687 -1.589 1.00 0.00 H new ATOM 1101 N THR A 72 -6.073 9.872 -6.207 1.00 0.00 N ATOM 1102 CA THR A 72 -5.762 9.699 -7.601 1.00 0.00 C ATOM 1103 C THR A 72 -4.426 8.985 -7.723 1.00 0.00 C ATOM 1104 O THR A 72 -4.323 7.971 -8.409 1.00 0.00 O ATOM 1105 CB THR A 72 -5.708 11.053 -8.326 1.00 0.00 C ATOM 1106 OG1 THR A 72 -5.043 12.016 -7.500 1.00 0.00 O ATOM 1107 CG2 THR A 72 -7.108 11.542 -8.653 1.00 0.00 C ATOM 0 H THR A 72 -5.268 10.136 -5.640 1.00 0.00 H new ATOM 0 HA THR A 72 -6.545 9.103 -8.069 1.00 0.00 H new ATOM 0 HB THR A 72 -5.157 10.926 -9.258 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.631 12.274 -6.760 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.048 12.502 -9.166 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.605 10.817 -9.297 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.677 11.659 -7.731 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.419 9.493 -7.007 1.00 0.00 N ATOM 1116 CA GLU A 73 -2.079 8.906 -7.031 1.00 0.00 C ATOM 1117 C GLU A 73 -1.464 8.980 -5.649 1.00 0.00 C ATOM 1118 O GLU A 73 -1.517 10.009 -4.986 1.00 0.00 O ATOM 1119 CB GLU A 73 -1.172 9.646 -8.020 1.00 0.00 C ATOM 1120 CG GLU A 73 0.182 8.974 -8.229 1.00 0.00 C ATOM 1121 CD GLU A 73 1.106 9.781 -9.119 1.00 0.00 C ATOM 1122 OE1 GLU A 73 0.652 10.272 -10.173 1.00 0.00 O ATOM 1123 OE2 GLU A 73 2.302 9.903 -8.783 1.00 0.00 O ATOM 0 H GLU A 73 -3.508 10.310 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.170 7.867 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.682 9.723 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.012 10.663 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.660 8.820 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.030 7.989 -8.669 1.00 0.00 H new ATOM 1130 N LEU A 74 -0.900 7.888 -5.213 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.151 7.862 -3.989 1.00 0.00 C ATOM 1132 C LEU A 74 1.153 7.167 -4.269 1.00 0.00 C ATOM 1133 O LEU A 74 1.150 6.077 -4.781 1.00 0.00 O ATOM 1134 CB LEU A 74 -0.974 7.090 -2.957 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.431 6.996 -1.551 1.00 0.00 C ATOM 1136 CD1 LEU A 74 -1.571 6.753 -0.592 1.00 0.00 C ATOM 1137 CD2 LEU A 74 0.575 5.885 -1.426 1.00 0.00 C ATOM 0 H LEU A 74 -0.947 6.991 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 74 0.052 8.862 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.961 7.549 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.113 6.076 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 74 0.069 7.935 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.183 6.684 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.281 7.578 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.073 5.821 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.947 5.844 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.102 4.936 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.406 6.069 -2.107 1.00 0.00 H new ATOM 1149 N SER A 75 2.261 7.783 -3.965 1.00 0.00 N ATOM 1150 CA SER A 75 3.531 7.081 -4.090 1.00 0.00 C ATOM 1151 C SER A 75 4.406 7.381 -2.907 1.00 0.00 C ATOM 1152 O SER A 75 4.707 8.532 -2.639 1.00 0.00 O ATOM 1153 CB SER A 75 4.251 7.498 -5.366 1.00 0.00 C ATOM 1154 OG SER A 75 3.489 7.183 -6.518 1.00 0.00 O ATOM 0 H SER A 75 2.324 8.746 -3.636 1.00 0.00 H new ATOM 0 HA SER A 75 3.326 6.011 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.448 8.570 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.218 6.998 -5.420 1.00 0.00 H new ATOM 0 HG SER A 75 3.977 7.464 -7.320 1.00 0.00 H new ATOM 1160 N PHE A 76 4.834 6.357 -2.222 1.00 0.00 N ATOM 1161 CA PHE A 76 5.688 6.531 -1.077 1.00 0.00 C ATOM 1162 C PHE A 76 6.558 5.310 -0.885 1.00 0.00 C ATOM 1163 O PHE A 76 6.228 4.234 -1.372 1.00 0.00 O ATOM 1164 CB PHE A 76 4.868 6.960 0.142 1.00 0.00 C ATOM 1165 CG PHE A 76 4.137 5.887 0.915 1.00 0.00 C ATOM 1166 CD1 PHE A 76 3.118 5.141 0.337 1.00 0.00 C ATOM 1167 CD2 PHE A 76 4.459 5.649 2.250 1.00 0.00 C ATOM 1168 CE1 PHE A 76 2.448 4.176 1.068 1.00 0.00 C ATOM 1169 CE2 PHE A 76 3.788 4.685 2.983 1.00 0.00 C ATOM 1170 CZ PHE A 76 2.783 3.949 2.390 1.00 0.00 C ATOM 0 H PHE A 76 4.604 5.387 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 76 6.388 7.351 -1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.538 7.472 0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.133 7.693 -0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.846 5.316 -0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.243 6.225 2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.661 3.599 0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.051 4.510 4.016 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.258 3.196 2.958 1.00 0.00 H new ATOM 1180 N GLU A 77 7.663 5.466 -0.194 1.00 0.00 N ATOM 1181 CA GLU A 77 8.585 4.355 -0.023 1.00 0.00 C ATOM 1182 C GLU A 77 8.634 3.976 1.439 1.00 0.00 C ATOM 1183 O GLU A 77 8.770 4.829 2.326 1.00 0.00 O ATOM 1184 CB GLU A 77 10.008 4.722 -0.466 1.00 0.00 C ATOM 1185 CG GLU A 77 10.291 4.619 -1.959 1.00 0.00 C ATOM 1186 CD GLU A 77 11.629 5.240 -2.311 1.00 0.00 C ATOM 1187 OE1 GLU A 77 12.658 4.804 -1.759 1.00 0.00 O ATOM 1188 OE2 GLU A 77 11.657 6.208 -3.094 1.00 0.00 O ATOM 0 H GLU A 77 7.948 6.336 0.255 1.00 0.00 H new ATOM 0 HA GLU A 77 8.228 3.529 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.214 5.744 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.709 4.076 0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.283 3.572 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.498 5.118 -2.517 1.00 0.00 H new ATOM 1307 N VAL A 85 5.935 2.205 -3.336 1.00 0.00 N ATOM 1308 CA VAL A 85 4.628 1.624 -3.433 1.00 0.00 C ATOM 1309 C VAL A 85 3.599 2.710 -3.737 1.00 0.00 C ATOM 1310 O VAL A 85 3.490 3.711 -3.024 1.00 0.00 O ATOM 1311 CB VAL A 85 4.296 0.831 -2.152 1.00 0.00 C ATOM 1312 CG1 VAL A 85 5.175 -0.401 -2.067 1.00 0.00 C ATOM 1313 CG2 VAL A 85 4.504 1.672 -0.911 1.00 0.00 C ATOM 0 HA VAL A 85 4.601 0.912 -4.258 1.00 0.00 H new ATOM 0 HB VAL A 85 3.246 0.542 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.936 -0.957 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.000 -1.034 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.222 -0.100 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.261 1.082 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.545 1.992 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.856 2.548 -0.952 1.00 0.00 H new ATOM 1323 N THR A 86 2.870 2.509 -4.818 1.00 0.00 N ATOM 1324 CA THR A 86 2.004 3.533 -5.364 1.00 0.00 C ATOM 1325 C THR A 86 0.549 3.073 -5.406 1.00 0.00 C ATOM 1326 O THR A 86 0.245 1.943 -5.757 1.00 0.00 O ATOM 1327 CB THR A 86 2.475 3.931 -6.788 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.796 4.481 -6.715 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.529 4.950 -7.442 1.00 0.00 C ATOM 0 H THR A 86 2.862 1.633 -5.340 1.00 0.00 H new ATOM 0 HA THR A 86 2.064 4.401 -4.708 1.00 0.00 H new ATOM 0 HB THR A 86 2.472 3.033 -7.405 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.743 5.460 -6.708 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.896 5.201 -8.437 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.530 4.521 -7.521 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.489 5.852 -6.832 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.354 3.946 -5.024 1.00 0.00 N ATOM 1338 CA PHE A 87 -1.761 3.639 -5.101 1.00 0.00 C ATOM 1339 C PHE A 87 -2.393 4.528 -6.161 1.00 0.00 C ATOM 1340 O PHE A 87 -2.165 5.733 -6.179 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.431 3.832 -3.723 1.00 0.00 C ATOM 1342 CG PHE A 87 -1.812 2.976 -2.640 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.222 1.766 -2.959 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.793 3.391 -1.316 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -0.630 0.982 -1.989 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -1.193 2.612 -0.342 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.614 1.401 -0.686 1.00 0.00 C ATOM 0 H PHE A 87 -0.139 4.873 -4.657 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.904 2.596 -5.382 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.360 4.881 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.492 3.595 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.225 1.429 -3.985 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.251 4.330 -1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.180 0.038 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.176 2.947 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.151 0.788 0.073 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.160 3.931 -7.054 1.00 0.00 N ATOM 1358 CA GLN A 88 -3.831 4.682 -8.104 1.00 0.00 C ATOM 1359 C GLN A 88 -5.336 4.568 -7.930 1.00 0.00 C ATOM 1360 O GLN A 88 -5.889 3.471 -7.849 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.401 4.168 -9.467 1.00 0.00 C ATOM 1362 CG GLN A 88 -2.150 4.832 -9.995 1.00 0.00 C ATOM 1363 CD GLN A 88 -2.356 6.254 -10.469 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -2.160 7.201 -9.723 1.00 0.00 O ATOM 1365 NE2 GLN A 88 -2.746 6.409 -11.726 1.00 0.00 N ATOM 0 H GLN A 88 -3.335 2.926 -7.075 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.552 5.734 -8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.233 3.093 -9.405 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.213 4.323 -10.178 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.392 4.828 -9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.758 4.239 -10.821 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.899 5.592 -12.317 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.893 7.345 -12.103 1.00 0.00 H new ATOM 1374 N LEU A 89 -5.984 5.708 -7.864 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.400 5.772 -7.541 1.00 0.00 C ATOM 1376 C LEU A 89 -8.192 6.450 -8.654 1.00 0.00 C ATOM 1377 O LEU A 89 -7.706 7.395 -9.279 1.00 0.00 O ATOM 1378 CB LEU A 89 -7.598 6.476 -6.190 1.00 0.00 C ATOM 1379 CG LEU A 89 -8.928 6.198 -5.465 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -10.029 7.124 -5.953 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -9.349 4.748 -5.651 1.00 0.00 C ATOM 0 H LEU A 89 -5.551 6.616 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.785 4.756 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.781 6.185 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.513 7.551 -6.348 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.768 6.387 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.954 6.901 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.743 8.159 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.181 6.977 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.291 4.573 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.477 4.540 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.581 4.091 -5.242 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.396 5.958 -8.908 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.285 6.584 -9.864 1.00 0.00 C ATOM 1395 C GLU A 90 -11.447 7.214 -9.113 1.00 0.00 C ATOM 1396 O GLU A 90 -12.197 6.514 -8.416 1.00 0.00 O ATOM 1397 CB GLU A 90 -10.794 5.520 -10.859 1.00 0.00 C ATOM 1398 CG GLU A 90 -12.285 5.606 -11.201 1.00 0.00 C ATOM 1399 CD GLU A 90 -12.740 4.514 -12.150 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -12.529 4.657 -13.371 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -13.319 3.513 -11.679 1.00 0.00 O ATOM 0 H GLU A 90 -9.777 5.124 -8.461 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.759 7.359 -10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.221 5.605 -11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -10.589 4.532 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.867 5.546 -10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.494 6.578 -11.648 1.00 0.00 H new ATOM 1408 N ASP A 91 -11.582 8.536 -9.257 1.00 0.00 N ATOM 1409 CA ASP A 91 -12.680 9.262 -8.634 1.00 0.00 C ATOM 1410 C ASP A 91 -13.895 9.141 -9.456 1.00 0.00 C ATOM 1411 O ASP A 91 -13.972 9.638 -10.583 1.00 0.00 O ATOM 1412 CB ASP A 91 -12.423 10.757 -8.415 1.00 0.00 C ATOM 1413 CG ASP A 91 -13.692 11.595 -8.384 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.496 11.445 -7.447 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -13.879 12.424 -9.300 1.00 0.00 O ATOM 0 H ASP A 91 -10.944 9.119 -9.799 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.792 8.802 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.886 10.891 -7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.773 11.126 -9.209 1.00 0.00 H new ATOM 1461 N LYS A 95 -18.518 4.843 -7.997 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.736 4.011 -7.130 1.00 0.00 C ATOM 1463 C LYS A 95 -16.298 4.168 -7.563 1.00 0.00 C ATOM 1464 O LYS A 95 -16.018 4.841 -8.542 1.00 0.00 O ATOM 1465 CB LYS A 95 -18.138 2.552 -7.363 1.00 0.00 C ATOM 1466 CG LYS A 95 -18.230 2.182 -8.855 1.00 0.00 C ATOM 1467 CD LYS A 95 -17.024 1.404 -9.404 1.00 0.00 C ATOM 1468 CE LYS A 95 -15.868 2.295 -9.889 1.00 0.00 C ATOM 1469 NZ LYS A 95 -15.168 1.724 -11.071 1.00 0.00 N ATOM 0 HA LYS A 95 -17.881 4.280 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.413 1.899 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.102 2.367 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -19.130 1.587 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.348 3.097 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.652 0.736 -8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.356 0.777 -10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.255 3.282 -10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.153 2.431 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.802 2.496 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.378 1.128 -10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.834 1.148 -11.624 1.00 0.00 H new ATOM 1483 N THR A 96 -15.380 3.569 -6.866 1.00 0.00 N ATOM 1484 CA THR A 96 -14.009 3.964 -7.002 1.00 0.00 C ATOM 1485 C THR A 96 -13.223 2.867 -7.655 1.00 0.00 C ATOM 1486 O THR A 96 -13.268 1.711 -7.242 1.00 0.00 O ATOM 1487 CB THR A 96 -13.416 4.276 -5.621 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.288 3.783 -4.608 1.00 0.00 O ATOM 1489 CG2 THR A 96 -13.204 5.770 -5.426 1.00 0.00 C ATOM 0 H THR A 96 -15.551 2.812 -6.204 1.00 0.00 H new ATOM 0 HA THR A 96 -13.958 4.858 -7.624 1.00 0.00 H new ATOM 0 HB THR A 96 -12.444 3.787 -5.553 1.00 0.00 H new ATOM 0 HG1 THR A 96 -15.085 4.351 -4.558 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.783 5.952 -4.437 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.518 6.142 -6.187 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.159 6.288 -5.514 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.505 3.215 -8.688 1.00 0.00 N ATOM 1498 CA GLY A 97 -11.777 2.196 -9.388 1.00 0.00 C ATOM 1499 C GLY A 97 -10.360 2.160 -8.914 1.00 0.00 C ATOM 1500 O GLY A 97 -9.621 3.127 -9.072 1.00 0.00 O ATOM 0 H GLY A 97 -12.410 4.163 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.247 1.226 -9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.805 2.389 -10.460 1.00 0.00 H new ATOM 1504 N PHE A 98 -9.979 1.059 -8.302 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.700 1.019 -7.641 1.00 0.00 C ATOM 1506 C PHE A 98 -7.677 0.237 -8.438 1.00 0.00 C ATOM 1507 O PHE A 98 -7.898 -0.908 -8.835 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.780 0.440 -6.232 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.556 0.803 -5.443 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.423 2.076 -4.913 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.529 -0.100 -5.262 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.294 2.437 -4.208 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.395 0.258 -4.562 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.276 1.528 -4.034 1.00 0.00 C ATOM 0 H PHE A 98 -10.525 0.199 -8.250 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.383 2.059 -7.567 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.670 0.817 -5.728 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.878 -0.644 -6.283 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.215 2.796 -5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.613 -1.096 -5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.209 3.431 -3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.598 -0.458 -4.427 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.388 1.807 -3.487 1.00 0.00 H new ATOM 1524 N THR A 99 -6.558 0.879 -8.667 1.00 0.00 N ATOM 1525 CA THR A 99 -5.416 0.240 -9.272 1.00 0.00 C ATOM 1526 C THR A 99 -4.237 0.391 -8.338 1.00 0.00 C ATOM 1527 O THR A 99 -3.818 1.502 -8.045 1.00 0.00 O ATOM 1528 CB THR A 99 -5.083 0.849 -10.646 1.00 0.00 C ATOM 1529 OG1 THR A 99 -6.232 0.770 -11.500 1.00 0.00 O ATOM 1530 CG2 THR A 99 -3.915 0.121 -11.292 1.00 0.00 C ATOM 0 H THR A 99 -6.413 1.862 -8.438 1.00 0.00 H new ATOM 0 HA THR A 99 -5.645 -0.813 -9.435 1.00 0.00 H new ATOM 0 HB THR A 99 -4.803 1.893 -10.502 1.00 0.00 H new ATOM 0 HG1 THR A 99 -6.018 1.160 -12.373 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.698 0.569 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.037 0.201 -10.651 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.171 -0.930 -11.427 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.710 -0.700 -7.841 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.629 -0.584 -6.903 1.00 0.00 C ATOM 1540 C LEU A 100 -1.323 -0.989 -7.525 1.00 0.00 C ATOM 1541 O LEU A 100 -1.238 -1.966 -8.260 1.00 0.00 O ATOM 1542 CB LEU A 100 -2.885 -1.384 -5.631 1.00 0.00 C ATOM 1543 CG LEU A 100 -2.075 -0.893 -4.437 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -2.762 -1.257 -3.151 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -0.660 -1.437 -4.467 1.00 0.00 C ATOM 0 H LEU A 100 -4.003 -1.651 -8.063 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.567 0.468 -6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.946 -1.335 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.649 -2.432 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.010 0.193 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.170 -0.899 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.749 -0.796 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.865 -2.340 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.110 -1.068 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.688 -2.526 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.163 -1.109 -5.380 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.311 -0.216 -7.213 1.00 0.00 N ATOM 1558 CA ILE A 101 1.016 -0.455 -7.698 1.00 0.00 C ATOM 1559 C ILE A 101 1.950 -0.677 -6.514 1.00 0.00 C ATOM 1560 O ILE A 101 2.005 0.118 -5.588 1.00 0.00 O ATOM 1561 CB ILE A 101 1.555 0.755 -8.496 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.479 1.373 -9.419 1.00 0.00 C ATOM 1563 CG2 ILE A 101 2.782 0.350 -9.307 1.00 0.00 C ATOM 1564 CD1 ILE A 101 -0.480 2.303 -8.717 1.00 0.00 C ATOM 0 H ILE A 101 -0.392 0.602 -6.610 1.00 0.00 H new ATOM 0 HA ILE A 101 0.978 -1.328 -8.349 1.00 0.00 H new ATOM 0 HB ILE A 101 1.838 1.520 -7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.975 1.919 -10.221 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.089 0.568 -9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.151 1.212 -9.864 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.561 -0.008 -8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.512 -0.444 -10.004 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.201 2.692 -9.436 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.007 1.759 -7.933 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.074 3.131 -8.274 1.00 0.00 H new ATOM 1576 N HIS A 102 2.663 -1.760 -6.515 1.00 0.00 N ATOM 1577 CA HIS A 102 3.759 -1.915 -5.598 1.00 0.00 C ATOM 1578 C HIS A 102 5.004 -2.044 -6.431 1.00 0.00 C ATOM 1579 O HIS A 102 5.147 -2.983 -7.207 1.00 0.00 O ATOM 1580 CB HIS A 102 3.551 -3.127 -4.680 1.00 0.00 C ATOM 1581 CG HIS A 102 2.938 -2.780 -3.353 1.00 0.00 C ATOM 1582 ND1 HIS A 102 3.150 -3.543 -2.220 1.00 0.00 N ATOM 1583 CD2 HIS A 102 2.162 -1.727 -2.956 1.00 0.00 C ATOM 1584 CE1 HIS A 102 2.549 -2.977 -1.193 1.00 0.00 C ATOM 1585 NE2 HIS A 102 1.948 -1.877 -1.611 1.00 0.00 N ATOM 0 H HIS A 102 2.509 -2.552 -7.139 1.00 0.00 H new ATOM 0 HA HIS A 102 3.837 -1.055 -4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.913 -3.851 -5.187 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.512 -3.613 -4.511 1.00 0.00 H new ATOM 0 HD1 HIS A 102 3.688 -4.409 -2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.789 -0.930 -3.582 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.548 -3.350 -0.179 1.00 0.00 H new ATOM 1881 N VAL A 122 8.407 -11.275 -2.585 1.00 0.00 N ATOM 1882 CA VAL A 122 7.697 -10.119 -2.078 1.00 0.00 C ATOM 1883 C VAL A 122 6.632 -9.660 -3.074 1.00 0.00 C ATOM 1884 O VAL A 122 5.518 -9.278 -2.689 1.00 0.00 O ATOM 1885 CB VAL A 122 8.666 -8.980 -1.722 1.00 0.00 C ATOM 1886 CG1 VAL A 122 9.374 -8.459 -2.947 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.942 -7.865 -0.995 1.00 0.00 C ATOM 0 HA VAL A 122 7.190 -10.409 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 122 9.425 -9.384 -1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 122 10.052 -7.655 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.943 -9.266 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.640 -8.079 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 122 8.648 -7.070 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.152 -7.468 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.505 -8.254 -0.076 1.00 0.00 H new ATOM 1897 N ARG A 123 6.952 -9.731 -4.363 1.00 0.00 N ATOM 1898 CA ARG A 123 5.955 -9.447 -5.382 1.00 0.00 C ATOM 1899 C ARG A 123 4.872 -10.523 -5.337 1.00 0.00 C ATOM 1900 O ARG A 123 3.708 -10.262 -5.631 1.00 0.00 O ATOM 1901 CB ARG A 123 6.579 -9.356 -6.783 1.00 0.00 C ATOM 1902 CG ARG A 123 6.646 -10.672 -7.546 1.00 0.00 C ATOM 1903 CD ARG A 123 6.959 -10.439 -9.014 1.00 0.00 C ATOM 1904 NE ARG A 123 6.903 -11.670 -9.797 1.00 0.00 N ATOM 1905 CZ ARG A 123 6.535 -11.722 -11.077 1.00 0.00 C ATOM 1906 NH1 ARG A 123 6.192 -10.611 -11.719 1.00 0.00 N ATOM 1907 NH2 ARG A 123 6.511 -12.886 -11.713 1.00 0.00 N ATOM 0 H ARG A 123 7.876 -9.978 -4.719 1.00 0.00 H new ATOM 0 HA ARG A 123 5.512 -8.474 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 123 6.007 -8.640 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.589 -8.956 -6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.410 -11.313 -7.106 1.00 0.00 H new ATOM 0 HG3 ARG A 123 5.696 -11.198 -7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.251 -9.718 -9.424 1.00 0.00 H new ATOM 0 HD3 ARG A 123 7.952 -9.998 -9.106 1.00 0.00 H new ATOM 0 HE ARG A 123 7.161 -12.543 -9.337 1.00 0.00 H new ATOM 0 HH11 ARG A 123 6.210 -9.715 -11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 123 5.911 -10.654 -12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 123 6.774 -13.741 -11.222 1.00 0.00 H new ATOM 0 HH22 ARG A 123 6.229 -12.926 -12.693 1.00 0.00 H new ATOM 1921 N GLY A 124 5.273 -11.725 -4.931 1.00 0.00 N ATOM 1922 CA GLY A 124 4.340 -12.831 -4.795 1.00 0.00 C ATOM 1923 C GLY A 124 3.410 -12.637 -3.614 1.00 0.00 C ATOM 1924 O GLY A 124 2.261 -13.103 -3.620 1.00 0.00 O ATOM 0 H GLY A 124 6.238 -11.954 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.753 -12.927 -5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.894 -13.762 -4.673 1.00 0.00 H new ATOM 1928 N LYS A 125 3.903 -11.917 -2.611 1.00 0.00 N ATOM 1929 CA LYS A 125 3.116 -11.576 -1.441 1.00 0.00 C ATOM 1930 C LYS A 125 1.943 -10.755 -1.874 1.00 0.00 C ATOM 1931 O LYS A 125 0.807 -10.967 -1.454 1.00 0.00 O ATOM 1932 CB LYS A 125 3.953 -10.736 -0.495 1.00 0.00 C ATOM 1933 CG LYS A 125 5.277 -11.388 -0.172 1.00 0.00 C ATOM 1934 CD LYS A 125 6.048 -10.615 0.889 1.00 0.00 C ATOM 1935 CE LYS A 125 5.358 -10.668 2.246 1.00 0.00 C ATOM 1936 NZ LYS A 125 5.244 -12.057 2.764 1.00 0.00 N ATOM 0 H LYS A 125 4.857 -11.557 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 125 2.790 -12.489 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.131 -9.758 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.398 -10.569 0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.105 -12.407 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.878 -11.457 -1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 125 7.054 -11.025 0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.154 -9.576 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.915 -10.061 2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.363 -10.230 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 5.025 -12.032 3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.484 -12.555 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 6.143 -12.558 2.616 1.00 0.00 H new ATOM 1950 N MET A 126 2.245 -9.834 -2.759 1.00 0.00 N ATOM 1951 CA MET A 126 1.245 -8.959 -3.309 1.00 0.00 C ATOM 1952 C MET A 126 0.427 -9.724 -4.334 1.00 0.00 C ATOM 1953 O MET A 126 -0.749 -9.447 -4.555 1.00 0.00 O ATOM 1954 CB MET A 126 1.921 -7.743 -3.938 1.00 0.00 C ATOM 1955 CG MET A 126 3.081 -7.230 -3.103 1.00 0.00 C ATOM 1956 SD MET A 126 2.577 -6.671 -1.464 1.00 0.00 S ATOM 1957 CE MET A 126 4.159 -6.622 -0.626 1.00 0.00 C ATOM 0 H MET A 126 3.187 -9.673 -3.115 1.00 0.00 H new ATOM 0 HA MET A 126 0.577 -8.607 -2.523 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.281 -8.005 -4.933 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.187 -6.947 -4.064 1.00 0.00 H new ATOM 0 HG2 MET A 126 3.824 -8.021 -2.999 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.564 -6.406 -3.629 1.00 0.00 H new ATOM 0 HE1 MET A 126 4.147 -5.836 0.129 1.00 0.00 H new ATOM 0 HE2 MET A 126 4.347 -7.583 -0.147 1.00 0.00 H new ATOM 0 HE3 MET A 126 4.948 -6.418 -1.350 1.00 0.00 H new ATOM 1967 N ASP A 127 1.023 -10.771 -4.872 1.00 0.00 N ATOM 1968 CA ASP A 127 0.420 -11.480 -5.985 1.00 0.00 C ATOM 1969 C ASP A 127 -0.723 -12.370 -5.503 1.00 0.00 C ATOM 1970 O ASP A 127 -1.588 -12.772 -6.282 1.00 0.00 O ATOM 1971 CB ASP A 127 1.493 -12.308 -6.691 1.00 0.00 C ATOM 1972 CG ASP A 127 0.924 -13.279 -7.702 1.00 0.00 C ATOM 1973 OD1 ASP A 127 0.497 -12.829 -8.785 1.00 0.00 O ATOM 1974 OD2 ASP A 127 0.910 -14.496 -7.421 1.00 0.00 O ATOM 0 H ASP A 127 1.918 -11.148 -4.559 1.00 0.00 H new ATOM 0 HA ASP A 127 0.002 -10.760 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.190 -11.637 -7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 127 2.065 -12.862 -5.946 1.00 0.00 H new ATOM 1979 N GLY A 128 -0.769 -12.602 -4.204 1.00 0.00 N ATOM 1980 CA GLY A 128 -1.911 -13.286 -3.624 1.00 0.00 C ATOM 1981 C GLY A 128 -2.581 -12.480 -2.523 1.00 0.00 C ATOM 1982 O GLY A 128 -3.770 -12.125 -2.605 1.00 0.00 O ATOM 0 H GLY A 128 -0.043 -12.333 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.639 -13.498 -4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.588 -14.246 -3.221 1.00 0.00 H new ATOM 1986 N GLY A 129 -1.804 -12.147 -1.508 1.00 0.00 N ATOM 1987 CA GLY A 129 -2.360 -11.522 -0.330 1.00 0.00 C ATOM 1988 C GLY A 129 -2.786 -10.093 -0.568 1.00 0.00 C ATOM 1989 O GLY A 129 -3.556 -9.536 0.212 1.00 0.00 O ATOM 0 H GLY A 129 -0.796 -12.299 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -3.219 -12.100 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.621 -11.547 0.471 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.320 -9.491 -1.654 1.00 0.00 N ATOM 1994 CA TRP A 130 -2.571 -8.085 -1.868 1.00 0.00 C ATOM 1995 C TRP A 130 -3.952 -7.849 -2.469 1.00 0.00 C ATOM 1996 O TRP A 130 -4.502 -6.770 -2.329 1.00 0.00 O ATOM 1997 CB TRP A 130 -1.493 -7.514 -2.752 1.00 0.00 C ATOM 1998 CG TRP A 130 -1.302 -6.056 -2.634 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -1.274 -5.187 -3.664 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -1.099 -5.285 -1.441 1.00 0.00 C ATOM 2001 NE1 TRP A 130 -1.077 -3.931 -3.202 1.00 0.00 N ATOM 2002 CE2 TRP A 130 -0.967 -3.952 -1.848 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -1.023 -5.579 -0.077 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 -0.765 -2.906 -0.958 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 -0.820 -4.538 0.815 1.00 0.00 C ATOM 2006 CH2 TRP A 130 -0.693 -3.214 0.365 1.00 0.00 C ATOM 0 H TRP A 130 -1.776 -9.950 -2.385 1.00 0.00 H new ATOM 0 HA TRP A 130 -2.552 -7.576 -0.904 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -0.551 -8.010 -2.518 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -1.729 -7.752 -3.789 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -1.391 -5.454 -4.704 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -1.020 -3.094 -3.783 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -1.120 -6.596 0.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -0.669 -1.887 -1.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -0.759 -4.748 1.873 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -0.535 -2.424 1.084 1.00 0.00 H new ATOM 2017 N THR A 131 -4.522 -8.835 -3.153 1.00 0.00 N ATOM 2018 CA THR A 131 -5.920 -8.734 -3.516 1.00 0.00 C ATOM 2019 C THR A 131 -6.781 -9.076 -2.327 1.00 0.00 C ATOM 2020 O THR A 131 -7.848 -8.520 -2.152 1.00 0.00 O ATOM 2021 CB THR A 131 -6.324 -9.621 -4.690 1.00 0.00 C ATOM 2022 OG1 THR A 131 -5.540 -10.822 -4.689 1.00 0.00 O ATOM 2023 CG2 THR A 131 -6.157 -8.881 -6.008 1.00 0.00 C ATOM 0 H THR A 131 -4.050 -9.687 -3.457 1.00 0.00 H new ATOM 0 HA THR A 131 -6.072 -7.702 -3.833 1.00 0.00 H new ATOM 0 HB THR A 131 -7.376 -9.884 -4.580 1.00 0.00 H new ATOM 0 HG1 THR A 131 -4.667 -10.643 -5.096 1.00 0.00 H new ATOM 0 HG21 THR A 131 -6.451 -9.533 -6.831 1.00 0.00 H new ATOM 0 HG22 THR A 131 -6.786 -7.991 -6.008 1.00 0.00 H new ATOM 0 HG23 THR A 131 -5.114 -8.588 -6.131 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.332 -9.993 -1.502 1.00 0.00 N ATOM 2032 CA GLY A 132 -7.023 -10.184 -0.255 1.00 0.00 C ATOM 2033 C GLY A 132 -7.131 -8.869 0.485 1.00 0.00 C ATOM 2034 O GLY A 132 -8.224 -8.384 0.777 1.00 0.00 O ATOM 0 H GLY A 132 -5.524 -10.595 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -8.018 -10.589 -0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.491 -10.912 0.357 1.00 0.00 H new ATOM 2038 N ILE A 133 -5.990 -8.246 0.695 1.00 0.00 N ATOM 2039 CA ILE A 133 -5.928 -7.001 1.428 1.00 0.00 C ATOM 2040 C ILE A 133 -6.531 -5.824 0.649 1.00 0.00 C ATOM 2041 O ILE A 133 -7.434 -5.158 1.131 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.458 -6.696 1.759 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -3.955 -7.630 2.865 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -4.274 -5.245 2.146 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -2.486 -7.458 3.187 1.00 0.00 C ATOM 0 H ILE A 133 -5.087 -8.586 0.365 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.519 -7.119 2.336 1.00 0.00 H new ATOM 0 HB ILE A 133 -3.863 -6.874 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -4.539 -7.455 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -4.133 -8.663 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.224 -5.060 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -4.584 -4.606 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -4.881 -5.023 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.203 -8.152 3.978 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -1.892 -7.662 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -2.303 -6.436 3.519 1.00 0.00 H new ATOM 2057 N VAL A 134 -6.068 -5.579 -0.563 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.551 -4.439 -1.323 1.00 0.00 C ATOM 2059 C VAL A 134 -7.851 -4.738 -2.048 1.00 0.00 C ATOM 2060 O VAL A 134 -8.791 -3.964 -1.987 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.498 -3.959 -2.325 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -5.939 -2.669 -2.963 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -4.184 -3.752 -1.632 1.00 0.00 C ATOM 0 H VAL A 134 -5.366 -6.146 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 134 -6.746 -3.646 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 134 -5.381 -4.719 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -5.182 -2.337 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -6.883 -2.825 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -6.072 -1.909 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -3.442 -3.411 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.300 -3.003 -0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -3.854 -4.692 -1.189 1.00 0.00 H new ATOM 2073 N ASN A 135 -7.951 -5.888 -2.679 1.00 0.00 N ATOM 2074 CA ASN A 135 -9.134 -6.154 -3.475 1.00 0.00 C ATOM 2075 C ASN A 135 -10.298 -6.413 -2.544 1.00 0.00 C ATOM 2076 O ASN A 135 -11.400 -5.906 -2.751 1.00 0.00 O ATOM 2077 CB ASN A 135 -8.903 -7.340 -4.431 1.00 0.00 C ATOM 2078 CG ASN A 135 -10.054 -7.615 -5.393 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -11.230 -7.491 -5.051 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -9.717 -7.986 -6.618 1.00 0.00 N ATOM 0 H ASN A 135 -7.254 -6.633 -2.661 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.358 -5.287 -4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -8.000 -7.151 -5.011 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -8.720 -8.237 -3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -10.441 -8.178 -7.310 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -8.733 -8.080 -6.870 1.00 0.00 H new ATOM 2087 N GLU A 136 -10.052 -7.130 -1.464 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.139 -7.466 -0.601 1.00 0.00 C ATOM 2089 C GLU A 136 -11.265 -6.475 0.565 1.00 0.00 C ATOM 2090 O GLU A 136 -12.348 -5.951 0.809 1.00 0.00 O ATOM 2091 CB GLU A 136 -10.951 -8.919 -0.150 1.00 0.00 C ATOM 2092 CG GLU A 136 -11.397 -9.198 1.274 1.00 0.00 C ATOM 2093 CD GLU A 136 -11.320 -10.663 1.641 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -12.244 -11.418 1.274 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -10.344 -11.067 2.311 1.00 0.00 O ATOM 0 H GLU A 136 -9.136 -7.476 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 136 -12.087 -7.387 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.505 -9.571 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -9.898 -9.183 -0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -10.777 -8.624 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -12.422 -8.850 1.403 1.00 0.00 H new ATOM 2102 N ARG A 137 -10.155 -6.134 1.217 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.201 -5.236 2.375 1.00 0.00 C ATOM 2104 C ARG A 137 -10.229 -3.766 1.996 1.00 0.00 C ATOM 2105 O ARG A 137 -10.801 -2.978 2.714 1.00 0.00 O ATOM 2106 CB ARG A 137 -9.096 -5.531 3.386 1.00 0.00 C ATOM 2107 CG ARG A 137 -8.731 -4.358 4.313 1.00 0.00 C ATOM 2108 CD ARG A 137 -9.892 -3.924 5.211 1.00 0.00 C ATOM 2109 NE ARG A 137 -10.284 -4.961 6.168 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.404 -4.914 6.900 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -12.240 -3.884 6.783 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -11.682 -5.901 7.745 1.00 0.00 N ATOM 0 H ARG A 137 -9.221 -6.460 0.969 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.153 -5.446 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.403 -6.378 4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.201 -5.838 2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -7.884 -4.644 4.936 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.410 -3.510 3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.609 -3.022 5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.750 -3.666 4.590 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.668 -5.766 6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.028 -3.127 6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.092 -3.853 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -11.043 -6.691 7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.534 -5.869 8.304 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.615 -3.361 0.907 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.694 -1.961 0.546 1.00 0.00 C ATOM 2128 C LEU A 138 -11.133 -1.648 0.239 1.00 0.00 C ATOM 2129 O LEU A 138 -11.647 -0.620 0.656 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.773 -1.632 -0.618 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.672 -0.170 -1.004 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.388 0.709 0.190 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.577 -0.006 -2.014 1.00 0.00 C ATOM 0 H LEU A 138 -9.075 -3.953 0.276 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.354 -1.338 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.773 -1.991 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.110 -2.193 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.631 0.137 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.323 1.749 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.192 0.603 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.444 0.410 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.498 1.044 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.632 -0.338 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.804 -0.604 -2.897 1.00 0.00 H new ATOM 2145 N ARG A 139 -11.802 -2.575 -0.443 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.239 -2.468 -0.621 1.00 0.00 C ATOM 2147 C ARG A 139 -13.926 -2.620 0.728 1.00 0.00 C ATOM 2148 O ARG A 139 -14.984 -2.057 0.954 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.752 -3.504 -1.635 1.00 0.00 C ATOM 2150 CG ARG A 139 -15.097 -3.153 -2.279 1.00 0.00 C ATOM 2151 CD ARG A 139 -16.275 -3.434 -1.356 1.00 0.00 C ATOM 2152 NE ARG A 139 -16.379 -4.854 -1.008 1.00 0.00 N ATOM 2153 CZ ARG A 139 -17.537 -5.489 -0.798 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -18.692 -4.845 -0.933 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -17.538 -6.777 -0.472 1.00 0.00 N ATOM 0 H ARG A 139 -11.376 -3.395 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.476 -1.485 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -13.007 -3.623 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -13.844 -4.468 -1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.100 -2.099 -2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -15.216 -3.725 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -16.169 -2.845 -0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -17.198 -3.111 -1.839 1.00 0.00 H new ATOM 0 HE ARG A 139 -15.516 -5.390 -0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -18.699 -3.860 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -19.571 -5.336 -0.771 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -16.656 -7.281 -0.382 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -18.421 -7.262 -0.312 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.328 -3.382 1.633 1.00 0.00 N ATOM 2170 CA LYS A 140 -13.878 -3.520 2.959 1.00 0.00 C ATOM 2171 C LYS A 140 -13.785 -2.234 3.783 1.00 0.00 C ATOM 2172 O LYS A 140 -14.748 -1.812 4.391 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.176 -4.641 3.711 1.00 0.00 C ATOM 2174 CG LYS A 140 -14.002 -5.900 3.846 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.291 -7.084 3.257 1.00 0.00 C ATOM 2176 CE LYS A 140 -12.047 -7.439 4.049 1.00 0.00 C ATOM 2177 NZ LYS A 140 -12.381 -8.026 5.377 1.00 0.00 N ATOM 0 H LYS A 140 -12.469 -3.907 1.468 1.00 0.00 H new ATOM 0 HA LYS A 140 -14.935 -3.753 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.245 -4.882 3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -12.908 -4.286 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -14.214 -6.087 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -14.961 -5.764 3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -13.965 -7.940 3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -13.016 -6.868 2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.445 -8.148 3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.439 -6.545 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.511 -8.363 5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -12.829 -7.302 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -13.036 -8.823 5.249 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.647 -1.598 3.772 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.426 -0.431 4.597 1.00 0.00 C ATOM 2193 C ALA A 141 -13.211 0.746 4.058 1.00 0.00 C ATOM 2194 O ALA A 141 -13.617 1.635 4.805 1.00 0.00 O ATOM 2195 CB ALA A 141 -10.948 -0.122 4.675 1.00 0.00 C ATOM 0 H ALA A 141 -11.848 -1.867 3.197 1.00 0.00 H new ATOM 0 HA ALA A 141 -12.780 -0.633 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -10.793 0.758 5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.421 -0.972 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.563 0.070 3.673 1.00 0.00 H new ATOM 2201 N VAL A 142 -13.433 0.741 2.753 1.00 0.00 N ATOM 2202 CA VAL A 142 -14.237 1.756 2.135 1.00 0.00 C ATOM 2203 C VAL A 142 -15.703 1.352 2.213 1.00 0.00 C ATOM 2204 O VAL A 142 -16.588 2.203 2.165 1.00 0.00 O ATOM 2205 CB VAL A 142 -13.819 2.022 0.672 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -12.372 2.480 0.616 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -14.020 0.811 -0.228 1.00 0.00 C ATOM 0 H VAL A 142 -13.063 0.041 2.110 1.00 0.00 H new ATOM 0 HA VAL A 142 -14.083 2.689 2.677 1.00 0.00 H new ATOM 0 HB VAL A 142 -14.470 2.811 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.089 2.664 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -12.258 3.398 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.729 1.706 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.709 1.057 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.422 -0.021 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -15.073 0.529 -0.229 1.00 0.00 H new ATOM 2217 N GLU A 143 -15.954 0.048 2.384 1.00 0.00 N ATOM 2218 CA GLU A 143 -17.330 -0.460 2.422 1.00 0.00 C ATOM 2219 C GLU A 143 -17.529 -1.680 3.325 1.00 0.00 C ATOM 2220 O GLU A 143 -18.354 -1.643 4.235 1.00 0.00 O ATOM 2221 CB GLU A 143 -17.796 -0.806 1.017 1.00 0.00 C ATOM 2222 CG GLU A 143 -18.227 0.403 0.225 1.00 0.00 C ATOM 2223 CD GLU A 143 -19.553 0.962 0.698 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -19.565 1.796 1.630 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -20.599 0.562 0.145 1.00 0.00 O ATOM 0 H GLU A 143 -15.234 -0.665 2.497 1.00 0.00 H new ATOM 0 HA GLU A 143 -17.926 0.346 2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -16.989 -1.312 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -18.627 -1.509 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -17.462 1.176 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -18.304 0.135 -0.829 1.00 0.00 H new ATOM 2232 N GLU A 144 -16.762 -2.740 3.063 1.00 0.00 N ATOM 2233 CA GLU A 144 -16.958 -4.075 3.672 1.00 0.00 C ATOM 2234 C GLU A 144 -18.438 -4.472 3.723 1.00 0.00 C ATOM 2235 O GLU A 144 -19.237 -4.059 2.878 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.307 -4.178 5.072 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.841 -3.247 6.149 1.00 0.00 C ATOM 2238 CD GLU A 144 -16.115 -3.428 7.470 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -14.899 -3.741 7.455 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -16.756 -3.285 8.530 1.00 0.00 O ATOM 0 H GLU A 144 -15.975 -2.704 2.415 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.449 -4.787 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -16.419 -5.204 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -15.238 -3.994 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -16.739 -2.214 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -17.906 -3.432 6.292 1.00 0.00 H new