USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 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 HD1:sc= -9.25! C(o=-9.3!,f=-9!) USER MOD Set 1.2: A 126 MET CE :methyl 136:sc=-0.00936 (180deg=-1.27) USER MOD Set 2.1: A 75 SER OG : rot 81:sc= 1.18 USER MOD Set 2.2: A 86 THR OG1 : rot 171:sc= 0.76 USER MOD Set 3.1: A 45 GLN : amide:sc= 0.758 K(o=1.6,f=-1.5) USER MOD Set 3.2: A 47 LYS NZ :NH3+ 151:sc= 0.857 (180deg=0) USER MOD Set 4.1: A 31 THR OG1 : rot 180:sc= -0.381 USER MOD Set 4.2: A 32 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -2.04! K(o=-2!,f=-0.51) USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00671) USER MOD Single : A 28 THR OG1 : rot 68:sc= 0.394 USER MOD Single : A 30 SER OG : rot 60:sc= -1.48! USER MOD Single : A 50 GLN : amide:sc= -3.31! C(o=-3.3!,f=-3.6!) USER MOD Single : A 63 CYS SG : rot 19:sc= 0.0773 USER MOD Single : A 64 LYS NZ :NH3+ -125:sc= -0.969 (180deg=-3.24!) USER MOD Single : A 69 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.12) USER MOD Single : A 72 THR OG1 : rot -72:sc= 0.832 USER MOD Single : A 88 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.073) USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= 1.09 (180deg=0.854) USER MOD Single : A 96 THR OG1 : rot -77:sc= -0.38! USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 135 ASN : amide:sc= -5! C(o=-5!,f=-8.2!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N ILE A 12 5.203 -3.694 -9.522 1.00 0.00 N ATOM 160 CA ILE A 12 4.110 -4.609 -9.310 1.00 0.00 C ATOM 161 C ILE A 12 2.774 -3.870 -9.283 1.00 0.00 C ATOM 162 O ILE A 12 2.643 -2.851 -8.618 1.00 0.00 O ATOM 163 CB ILE A 12 4.374 -5.352 -7.984 1.00 0.00 C ATOM 164 CG1 ILE A 12 5.347 -6.507 -8.221 1.00 0.00 C ATOM 165 CG2 ILE A 12 3.093 -5.856 -7.341 1.00 0.00 C ATOM 166 CD1 ILE A 12 4.846 -7.531 -9.222 1.00 0.00 C ATOM 0 HA ILE A 12 4.049 -5.325 -10.130 1.00 0.00 H new ATOM 0 HB ILE A 12 4.818 -4.640 -7.289 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.297 -6.104 -8.572 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.543 -7.006 -7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.331 -6.372 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.436 -5.013 -7.130 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.592 -6.546 -8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.589 -8.320 -9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.911 -7.963 -8.864 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.677 -7.047 -10.184 1.00 0.00 H new ATOM 178 N THR A 13 1.791 -4.367 -10.026 1.00 0.00 N ATOM 179 CA THR A 13 0.499 -3.718 -10.100 1.00 0.00 C ATOM 180 C THR A 13 -0.653 -4.704 -9.892 1.00 0.00 C ATOM 181 O THR A 13 -0.566 -5.872 -10.280 1.00 0.00 O ATOM 182 CB THR A 13 0.337 -3.032 -11.463 1.00 0.00 C ATOM 183 OG1 THR A 13 1.138 -3.704 -12.449 1.00 0.00 O ATOM 184 CG2 THR A 13 0.721 -1.562 -11.391 1.00 0.00 C ATOM 0 H THR A 13 1.870 -5.218 -10.583 1.00 0.00 H new ATOM 0 HA THR A 13 0.460 -2.980 -9.299 1.00 0.00 H new ATOM 0 HB THR A 13 -0.713 -3.091 -11.749 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.028 -3.262 -13.317 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.595 -1.105 -12.372 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.082 -1.054 -10.669 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.762 -1.473 -11.080 1.00 0.00 H new ATOM 192 N LYS A 14 -1.720 -4.225 -9.261 1.00 0.00 N ATOM 193 CA LYS A 14 -2.946 -5.000 -9.109 1.00 0.00 C ATOM 194 C LYS A 14 -4.140 -4.104 -9.356 1.00 0.00 C ATOM 195 O LYS A 14 -4.077 -2.905 -9.107 1.00 0.00 O ATOM 196 CB LYS A 14 -3.060 -5.585 -7.700 1.00 0.00 C ATOM 197 CG LYS A 14 -3.956 -6.815 -7.597 1.00 0.00 C ATOM 198 CD LYS A 14 -3.162 -8.110 -7.775 1.00 0.00 C ATOM 199 CE LYS A 14 -2.721 -8.337 -9.215 1.00 0.00 C ATOM 200 NZ LYS A 14 -3.788 -8.974 -10.032 1.00 0.00 N ATOM 0 H LYS A 14 -1.760 -3.295 -8.843 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.921 -5.817 -9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.063 -5.847 -7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.443 -4.815 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.453 -6.823 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.738 -6.760 -8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.283 -8.084 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.772 -8.953 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.442 -7.383 -9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.831 -8.967 -9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.446 -9.110 -11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.037 -9.896 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.629 -8.362 -10.043 1.00 0.00 H new ATOM 214 N SER A 15 -5.222 -4.671 -9.835 1.00 0.00 N ATOM 215 CA SER A 15 -6.425 -3.910 -10.030 1.00 0.00 C ATOM 216 C SER A 15 -7.614 -4.555 -9.357 1.00 0.00 C ATOM 217 O SER A 15 -7.783 -5.773 -9.366 1.00 0.00 O ATOM 218 CB SER A 15 -6.698 -3.719 -11.506 1.00 0.00 C ATOM 219 OG SER A 15 -6.397 -4.894 -12.243 1.00 0.00 O ATOM 0 H SER A 15 -5.290 -5.655 -10.095 1.00 0.00 H new ATOM 0 HA SER A 15 -6.272 -2.935 -9.567 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.745 -3.453 -11.653 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.102 -2.888 -11.884 1.00 0.00 H new ATOM 0 HG SER A 15 -6.585 -4.742 -13.193 1.00 0.00 H new ATOM 225 N ILE A 16 -8.395 -3.708 -8.745 1.00 0.00 N ATOM 226 CA ILE A 16 -9.656 -4.069 -8.159 1.00 0.00 C ATOM 227 C ILE A 16 -10.581 -2.874 -8.195 1.00 0.00 C ATOM 228 O ILE A 16 -10.143 -1.736 -8.101 1.00 0.00 O ATOM 229 CB ILE A 16 -9.515 -4.555 -6.705 1.00 0.00 C ATOM 230 CG1 ILE A 16 -10.880 -4.515 -6.012 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.476 -3.742 -5.947 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.048 -3.459 -4.953 1.00 0.00 C ATOM 0 H ILE A 16 -8.165 -2.720 -8.637 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.063 -4.895 -8.742 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.162 -5.586 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.647 -4.366 -6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.065 -5.489 -5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.401 -4.111 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.508 -3.839 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.773 -2.693 -5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.051 -3.523 -4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.312 -3.614 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.903 -2.474 -5.396 1.00 0.00 H new ATOM 244 N THR A 17 -11.852 -3.117 -8.333 1.00 0.00 N ATOM 245 CA THR A 17 -12.799 -2.046 -8.222 1.00 0.00 C ATOM 246 C THR A 17 -13.354 -2.010 -6.808 1.00 0.00 C ATOM 247 O THR A 17 -13.961 -2.973 -6.341 1.00 0.00 O ATOM 248 CB THR A 17 -13.938 -2.216 -9.226 1.00 0.00 C ATOM 249 OG1 THR A 17 -13.388 -2.445 -10.531 1.00 0.00 O ATOM 250 CG2 THR A 17 -14.812 -0.978 -9.244 1.00 0.00 C ATOM 0 H THR A 17 -12.253 -4.036 -8.520 1.00 0.00 H new ATOM 0 HA THR A 17 -12.292 -1.107 -8.443 1.00 0.00 H new ATOM 0 HB THR A 17 -14.551 -3.069 -8.933 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.116 -2.556 -11.178 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.619 -1.113 -9.964 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.234 -0.816 -8.252 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.213 -0.114 -9.529 1.00 0.00 H new ATOM 258 N LEU A 18 -13.147 -0.893 -6.131 1.00 0.00 N ATOM 259 CA LEU A 18 -13.646 -0.712 -4.801 1.00 0.00 C ATOM 260 C LEU A 18 -14.988 -0.111 -4.955 1.00 0.00 C ATOM 261 O LEU A 18 -15.087 1.035 -5.356 1.00 0.00 O ATOM 262 CB LEU A 18 -12.778 0.273 -4.007 1.00 0.00 C ATOM 263 CG LEU A 18 -11.311 -0.081 -3.904 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.499 1.134 -3.509 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.107 -1.191 -2.894 1.00 0.00 C ATOM 0 H LEU A 18 -12.628 -0.095 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.653 -1.663 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.864 1.257 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.184 0.356 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.972 -0.426 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.446 0.861 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.623 1.914 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.843 1.503 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.047 -1.435 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.463 -0.864 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.664 -2.074 -3.206 1.00 0.00 H new ATOM 277 N GLU A 19 -16.032 -0.842 -4.705 1.00 0.00 N ATOM 278 CA GLU A 19 -17.300 -0.204 -4.802 1.00 0.00 C ATOM 279 C GLU A 19 -17.443 0.690 -3.588 1.00 0.00 C ATOM 280 O GLU A 19 -17.991 0.291 -2.568 1.00 0.00 O ATOM 281 CB GLU A 19 -18.375 -1.281 -4.853 1.00 0.00 C ATOM 282 CG GLU A 19 -17.902 -2.603 -4.261 1.00 0.00 C ATOM 283 CD GLU A 19 -18.927 -3.709 -4.393 1.00 0.00 C ATOM 284 OE1 GLU A 19 -19.944 -3.672 -3.673 1.00 0.00 O ATOM 285 OE2 GLU A 19 -18.708 -4.634 -5.199 1.00 0.00 O ATOM 0 H GLU A 19 -16.033 -1.829 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.398 0.404 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.256 -0.937 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.679 -1.438 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.980 -2.908 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.664 -2.459 -3.207 1.00 0.00 H new ATOM 292 N ALA A 20 -16.953 1.913 -3.744 1.00 0.00 N ATOM 293 CA ALA A 20 -16.964 2.910 -2.685 1.00 0.00 C ATOM 294 C ALA A 20 -16.925 4.303 -3.278 1.00 0.00 C ATOM 295 O ALA A 20 -16.655 4.460 -4.457 1.00 0.00 O ATOM 296 CB ALA A 20 -15.781 2.711 -1.760 1.00 0.00 C ATOM 0 H ALA A 20 -16.535 2.242 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.883 2.794 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.804 3.465 -0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.832 1.718 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.855 2.807 -2.327 1.00 0.00 H new ATOM 302 N PRO A 21 -17.157 5.339 -2.487 1.00 0.00 N ATOM 303 CA PRO A 21 -16.862 6.691 -2.919 1.00 0.00 C ATOM 304 C PRO A 21 -15.375 6.986 -2.752 1.00 0.00 C ATOM 305 O PRO A 21 -14.716 6.418 -1.873 1.00 0.00 O ATOM 306 CB PRO A 21 -17.682 7.539 -1.971 1.00 0.00 C ATOM 307 CG PRO A 21 -17.706 6.747 -0.707 1.00 0.00 C ATOM 308 CD PRO A 21 -17.699 5.296 -1.119 1.00 0.00 C ATOM 0 HA PRO A 21 -17.095 6.872 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.230 8.519 -1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.688 7.708 -2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.841 6.979 -0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.593 6.980 -0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.077 4.692 -0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.700 4.866 -1.096 1.00 0.00 H new ATOM 316 N ILE A 22 -14.856 7.873 -3.585 1.00 0.00 N ATOM 317 CA ILE A 22 -13.443 8.241 -3.544 1.00 0.00 C ATOM 318 C ILE A 22 -13.039 8.709 -2.152 1.00 0.00 C ATOM 319 O ILE A 22 -11.950 8.425 -1.671 1.00 0.00 O ATOM 320 CB ILE A 22 -13.134 9.324 -4.601 1.00 0.00 C ATOM 321 CG1 ILE A 22 -11.718 9.878 -4.416 1.00 0.00 C ATOM 322 CG2 ILE A 22 -14.174 10.432 -4.543 1.00 0.00 C ATOM 323 CD1 ILE A 22 -11.198 10.663 -5.596 1.00 0.00 C ATOM 0 H ILE A 22 -15.394 8.357 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.855 7.354 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.181 8.868 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.704 10.518 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.039 9.048 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.943 11.188 -5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.161 10.015 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -14.164 10.889 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.190 11.018 -5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.176 10.023 -6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.851 11.515 -5.782 1.00 0.00 H new ATOM 335 N GLN A 23 -13.963 9.390 -1.522 1.00 0.00 N ATOM 336 CA GLN A 23 -13.817 9.907 -0.171 1.00 0.00 C ATOM 337 C GLN A 23 -13.589 8.810 0.890 1.00 0.00 C ATOM 338 O GLN A 23 -12.911 9.044 1.891 1.00 0.00 O ATOM 339 CB GLN A 23 -15.065 10.700 0.132 1.00 0.00 C ATOM 340 CG GLN A 23 -16.286 9.857 -0.070 1.00 0.00 C ATOM 341 CD GLN A 23 -17.540 10.661 -0.374 1.00 0.00 C ATOM 342 OE1 GLN A 23 -18.647 10.257 -0.024 1.00 0.00 O ATOM 343 NE2 GLN A 23 -17.382 11.791 -1.042 1.00 0.00 N ATOM 0 H GLN A 23 -14.866 9.610 -1.941 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.922 10.528 -0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.032 11.062 1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -15.111 11.577 -0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -16.104 9.160 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.456 9.259 0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.448 12.095 -1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.194 12.359 -1.283 1.00 0.00 H new ATOM 352 N LYS A 24 -14.156 7.620 0.700 1.00 0.00 N ATOM 353 CA LYS A 24 -13.974 6.555 1.689 1.00 0.00 C ATOM 354 C LYS A 24 -12.644 5.837 1.475 1.00 0.00 C ATOM 355 O LYS A 24 -11.955 5.458 2.424 1.00 0.00 O ATOM 356 CB LYS A 24 -15.134 5.562 1.633 1.00 0.00 C ATOM 357 CG LYS A 24 -16.033 5.614 2.857 1.00 0.00 C ATOM 358 CD LYS A 24 -15.288 5.160 4.103 1.00 0.00 C ATOM 359 CE LYS A 24 -16.202 5.086 5.318 1.00 0.00 C ATOM 360 NZ LYS A 24 -16.703 6.424 5.732 1.00 0.00 N ATOM 0 H LYS A 24 -14.730 7.371 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.960 7.012 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.732 5.763 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.734 4.553 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.400 6.630 2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.905 4.979 2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.844 4.181 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.469 5.849 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.049 4.437 5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.662 4.630 6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.293 6.326 6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.897 7.047 5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.270 6.836 4.963 1.00 0.00 H new ATOM 374 N VAL A 25 -12.263 5.699 0.223 1.00 0.00 N ATOM 375 CA VAL A 25 -10.936 5.220 -0.116 1.00 0.00 C ATOM 376 C VAL A 25 -9.905 6.264 0.306 1.00 0.00 C ATOM 377 O VAL A 25 -8.786 5.940 0.664 1.00 0.00 O ATOM 378 CB VAL A 25 -10.797 4.837 -1.602 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.578 3.946 -1.780 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.056 4.122 -2.098 1.00 0.00 C ATOM 0 H VAL A 25 -12.854 5.912 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.756 4.296 0.433 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.672 5.745 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.477 3.673 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.685 4.482 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.696 3.043 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.936 3.861 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.213 3.215 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.917 4.780 -1.984 1.00 0.00 H new ATOM 390 N TRP A 26 -10.310 7.522 0.231 1.00 0.00 N ATOM 391 CA TRP A 26 -9.531 8.655 0.742 1.00 0.00 C ATOM 392 C TRP A 26 -9.189 8.425 2.200 1.00 0.00 C ATOM 393 O TRP A 26 -8.076 8.683 2.634 1.00 0.00 O ATOM 394 CB TRP A 26 -10.440 9.873 0.663 1.00 0.00 C ATOM 395 CG TRP A 26 -9.808 11.196 0.431 1.00 0.00 C ATOM 396 CD1 TRP A 26 -8.907 11.884 1.190 1.00 0.00 C ATOM 397 CD2 TRP A 26 -10.127 12.019 -0.664 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.636 13.098 0.591 1.00 0.00 N ATOM 399 CE2 TRP A 26 -9.385 13.197 -0.556 1.00 0.00 C ATOM 400 CE3 TRP A 26 -10.979 11.838 -1.736 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -9.481 14.210 -1.505 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -11.084 12.823 -2.675 1.00 0.00 C ATOM 403 CH2 TRP A 26 -10.338 14.007 -2.561 1.00 0.00 C ATOM 0 H TRP A 26 -11.198 7.795 -0.190 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.612 8.781 0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.161 9.702 -0.137 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.004 9.930 1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.473 11.534 2.115 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.988 13.803 0.942 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.555 10.929 -1.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -8.905 15.119 -1.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.749 12.690 -3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.439 14.772 -3.316 1.00 0.00 H new ATOM 414 N GLU A 27 -10.178 7.946 2.934 1.00 0.00 N ATOM 415 CA GLU A 27 -10.014 7.520 4.318 1.00 0.00 C ATOM 416 C GLU A 27 -9.102 6.291 4.406 1.00 0.00 C ATOM 417 O GLU A 27 -8.487 6.027 5.440 1.00 0.00 O ATOM 418 CB GLU A 27 -11.383 7.190 4.905 1.00 0.00 C ATOM 419 CG GLU A 27 -11.387 6.936 6.404 1.00 0.00 C ATOM 420 CD GLU A 27 -11.137 8.193 7.209 1.00 0.00 C ATOM 421 OE1 GLU A 27 -12.061 9.027 7.313 1.00 0.00 O ATOM 422 OE2 GLU A 27 -10.019 8.357 7.738 1.00 0.00 O ATOM 0 H GLU A 27 -11.130 7.840 2.584 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.552 8.329 4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.064 8.013 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.777 6.308 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.347 6.509 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.623 6.197 6.645 1.00 0.00 H new ATOM 429 N THR A 28 -9.101 5.498 3.345 1.00 0.00 N ATOM 430 CA THR A 28 -8.392 4.223 3.326 1.00 0.00 C ATOM 431 C THR A 28 -7.002 4.193 2.620 1.00 0.00 C ATOM 432 O THR A 28 -6.343 3.160 2.648 1.00 0.00 O ATOM 433 CB THR A 28 -9.284 3.115 2.765 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.602 3.237 3.318 1.00 0.00 O ATOM 435 CG2 THR A 28 -8.714 1.760 3.139 1.00 0.00 C ATOM 0 H THR A 28 -9.588 5.717 2.476 1.00 0.00 H new ATOM 0 HA THR A 28 -8.160 4.054 4.377 1.00 0.00 H new ATOM 0 HB THR A 28 -9.328 3.206 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.025 4.053 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.353 0.973 2.737 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.711 1.660 2.724 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.668 1.671 4.224 1.00 0.00 H new ATOM 443 N VAL A 29 -6.553 5.253 1.940 1.00 0.00 N ATOM 444 CA VAL A 29 -5.296 5.153 1.176 1.00 0.00 C ATOM 445 C VAL A 29 -4.362 6.355 1.370 1.00 0.00 C ATOM 446 O VAL A 29 -3.251 6.205 1.850 1.00 0.00 O ATOM 447 CB VAL A 29 -5.506 4.882 -0.339 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.301 3.620 -0.545 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.174 6.044 -1.048 1.00 0.00 C ATOM 0 H VAL A 29 -7.017 6.160 1.899 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.806 4.278 1.604 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.516 4.760 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.438 3.446 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.766 2.778 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.275 3.721 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.298 5.803 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.151 6.230 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.554 6.935 -0.949 1.00 0.00 H new ATOM 459 N SER A 30 -4.772 7.545 1.012 1.00 0.00 N ATOM 460 CA SER A 30 -3.878 8.681 1.156 1.00 0.00 C ATOM 461 C SER A 30 -4.173 9.398 2.455 1.00 0.00 C ATOM 462 O SER A 30 -4.624 10.541 2.473 1.00 0.00 O ATOM 463 CB SER A 30 -4.012 9.614 -0.031 1.00 0.00 C ATOM 464 OG SER A 30 -5.368 9.967 -0.245 1.00 0.00 O ATOM 0 H SER A 30 -5.693 7.757 0.628 1.00 0.00 H new ATOM 0 HA SER A 30 -2.847 8.328 1.183 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.420 10.513 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.612 9.133 -0.924 1.00 0.00 H new ATOM 0 HG SER A 30 -5.720 10.414 0.553 1.00 0.00 H new ATOM 470 N THR A 31 -3.953 8.686 3.539 1.00 0.00 N ATOM 471 CA THR A 31 -4.452 9.095 4.820 1.00 0.00 C ATOM 472 C THR A 31 -3.654 8.459 5.952 1.00 0.00 C ATOM 473 O THR A 31 -2.614 7.843 5.727 1.00 0.00 O ATOM 474 CB THR A 31 -5.956 8.788 4.899 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.486 8.995 6.217 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.212 7.372 4.429 1.00 0.00 C ATOM 0 H THR A 31 -3.425 7.813 3.551 1.00 0.00 H new ATOM 0 HA THR A 31 -4.324 10.171 4.938 1.00 0.00 H new ATOM 0 HB THR A 31 -6.476 9.486 4.243 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.444 8.790 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.279 7.157 4.486 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.875 7.264 3.398 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.667 6.674 5.064 1.00 0.00 H new ATOM 484 N SER A 32 -4.120 8.692 7.157 1.00 0.00 N ATOM 485 CA SER A 32 -3.585 8.102 8.368 1.00 0.00 C ATOM 486 C SER A 32 -3.707 6.586 8.321 1.00 0.00 C ATOM 487 O SER A 32 -4.249 6.024 7.367 1.00 0.00 O ATOM 488 CB SER A 32 -4.328 8.608 9.596 1.00 0.00 C ATOM 489 OG SER A 32 -5.726 8.694 9.355 1.00 0.00 O ATOM 0 H SER A 32 -4.907 9.317 7.330 1.00 0.00 H new ATOM 0 HA SER A 32 -2.536 8.389 8.435 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.142 7.940 10.437 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.944 9.589 9.877 1.00 0.00 H new ATOM 0 HG SER A 32 -6.177 9.020 10.161 1.00 0.00 H new ATOM 495 N GLU A 33 -3.116 5.946 9.325 1.00 0.00 N ATOM 496 CA GLU A 33 -2.837 4.505 9.374 1.00 0.00 C ATOM 497 C GLU A 33 -4.026 3.620 8.978 1.00 0.00 C ATOM 498 O GLU A 33 -3.884 2.399 8.909 1.00 0.00 O ATOM 499 CB GLU A 33 -2.426 4.136 10.791 1.00 0.00 C ATOM 500 CG GLU A 33 -1.516 5.152 11.439 1.00 0.00 C ATOM 501 CD GLU A 33 -1.603 5.092 12.950 1.00 0.00 C ATOM 502 OE1 GLU A 33 -1.171 4.081 13.542 1.00 0.00 O ATOM 503 OE2 GLU A 33 -2.167 6.037 13.547 1.00 0.00 O ATOM 0 H GLU A 33 -2.803 6.433 10.165 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.047 4.321 8.646 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.321 4.020 11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.924 3.169 10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.488 4.973 11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.784 6.152 11.098 1.00 0.00 H new ATOM 510 N GLY A 34 -5.192 4.206 8.766 1.00 0.00 N ATOM 511 CA GLY A 34 -6.286 3.439 8.212 1.00 0.00 C ATOM 512 C GLY A 34 -5.891 2.832 6.883 1.00 0.00 C ATOM 513 O GLY A 34 -6.231 1.683 6.601 1.00 0.00 O ATOM 0 H GLY A 34 -5.400 5.185 8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.573 2.650 8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.157 4.081 8.080 1.00 0.00 H new ATOM 517 N ILE A 35 -5.164 3.594 6.064 1.00 0.00 N ATOM 518 CA ILE A 35 -4.589 3.051 4.862 1.00 0.00 C ATOM 519 C ILE A 35 -3.468 2.092 5.180 1.00 0.00 C ATOM 520 O ILE A 35 -3.259 1.102 4.490 1.00 0.00 O ATOM 521 CB ILE A 35 -4.090 4.135 3.906 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.187 3.530 2.822 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.382 5.250 4.649 1.00 0.00 C ATOM 524 CD1 ILE A 35 -1.717 3.751 3.085 1.00 0.00 C ATOM 0 H ILE A 35 -4.968 4.582 6.222 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.391 2.511 4.358 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.960 4.573 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.381 2.460 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.447 3.965 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.041 6.002 3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.070 5.708 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.525 4.843 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.132 3.300 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.512 4.821 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.444 3.292 4.035 1.00 0.00 H new ATOM 536 N ALA A 36 -2.728 2.436 6.216 1.00 0.00 N ATOM 537 CA ALA A 36 -1.601 1.628 6.669 1.00 0.00 C ATOM 538 C ALA A 36 -2.029 0.182 6.892 1.00 0.00 C ATOM 539 O ALA A 36 -1.234 -0.746 6.728 1.00 0.00 O ATOM 540 CB ALA A 36 -1.008 2.212 7.933 1.00 0.00 C ATOM 0 H ALA A 36 -2.886 3.279 6.769 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.836 1.638 5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.168 1.598 8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.661 3.227 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.767 2.233 8.715 1.00 0.00 H new ATOM 689 N GLN A 45 0.727 9.174 6.621 1.00 0.00 N ATOM 690 CA GLN A 45 -0.060 10.391 6.632 1.00 0.00 C ATOM 691 C GLN A 45 0.145 11.020 5.274 1.00 0.00 C ATOM 692 O GLN A 45 1.281 11.013 4.798 1.00 0.00 O ATOM 693 CB GLN A 45 0.444 11.330 7.730 1.00 0.00 C ATOM 694 CG GLN A 45 0.095 10.886 9.141 1.00 0.00 C ATOM 695 CD GLN A 45 1.168 11.265 10.140 1.00 0.00 C ATOM 696 OE1 GLN A 45 1.200 12.389 10.642 1.00 0.00 O ATOM 697 NE2 GLN A 45 2.040 10.320 10.454 1.00 0.00 N ATOM 0 HA GLN A 45 -1.113 10.192 6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.527 11.419 7.647 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.029 12.324 7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.852 11.337 9.438 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.048 9.805 9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.977 9.402 10.014 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.774 10.510 11.136 1.00 0.00 H new ATOM 706 N LEU A 46 -0.885 11.555 4.623 1.00 0.00 N ATOM 707 CA LEU A 46 -0.665 12.005 3.258 1.00 0.00 C ATOM 708 C LEU A 46 0.158 13.280 3.282 1.00 0.00 C ATOM 709 O LEU A 46 -0.297 14.381 3.594 1.00 0.00 O ATOM 710 CB LEU A 46 -1.971 12.177 2.457 1.00 0.00 C ATOM 711 CG LEU A 46 -2.806 13.425 2.747 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.918 13.567 1.722 1.00 0.00 C ATOM 713 CD2 LEU A 46 -3.387 13.390 4.156 1.00 0.00 C ATOM 0 H LEU A 46 -1.827 11.682 4.994 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.112 11.227 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.720 12.177 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.596 11.302 2.637 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.147 14.291 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.504 14.460 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.485 13.653 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.564 12.690 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.975 14.291 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.026 12.514 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.576 13.340 4.883 1.00 0.00 H new ATOM 725 N LYS A 47 1.406 13.051 2.984 1.00 0.00 N ATOM 726 CA LYS A 47 2.455 14.026 3.016 1.00 0.00 C ATOM 727 C LYS A 47 3.243 13.873 1.760 1.00 0.00 C ATOM 728 O LYS A 47 3.111 12.868 1.129 1.00 0.00 O ATOM 729 CB LYS A 47 3.283 13.836 4.267 1.00 0.00 C ATOM 730 CG LYS A 47 2.684 14.636 5.407 1.00 0.00 C ATOM 731 CD LYS A 47 3.040 14.113 6.790 1.00 0.00 C ATOM 732 CE LYS A 47 2.315 14.916 7.864 1.00 0.00 C ATOM 733 NZ LYS A 47 2.623 14.453 9.247 1.00 0.00 N ATOM 0 H LYS A 47 1.734 12.129 2.697 1.00 0.00 H new ATOM 0 HA LYS A 47 2.070 15.045 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.320 12.779 4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.309 14.155 4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.018 15.670 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.599 14.642 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.769 13.060 6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.117 14.177 6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.588 15.967 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.240 14.849 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.542 15.253 9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.951 13.708 9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.591 14.075 9.279 1.00 0.00 H new ATOM 747 N GLU A 48 3.899 14.893 1.293 1.00 0.00 N ATOM 748 CA GLU A 48 4.721 14.740 0.103 1.00 0.00 C ATOM 749 C GLU A 48 6.166 15.121 0.359 1.00 0.00 C ATOM 750 O GLU A 48 6.451 16.220 0.831 1.00 0.00 O ATOM 751 CB GLU A 48 4.131 15.499 -1.061 1.00 0.00 C ATOM 752 CG GLU A 48 3.036 14.731 -1.760 1.00 0.00 C ATOM 753 CD GLU A 48 2.219 15.630 -2.657 1.00 0.00 C ATOM 754 OE1 GLU A 48 1.474 16.480 -2.127 1.00 0.00 O ATOM 755 OE2 GLU A 48 2.331 15.505 -3.892 1.00 0.00 O ATOM 0 H GLU A 48 3.891 15.828 1.700 1.00 0.00 H new ATOM 0 HA GLU A 48 4.725 13.683 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.733 16.450 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.920 15.731 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.474 13.926 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.386 14.266 -1.019 1.00 0.00 H new ATOM 762 N GLY A 49 7.068 14.201 0.048 1.00 0.00 N ATOM 763 CA GLY A 49 8.485 14.431 0.267 1.00 0.00 C ATOM 764 C GLY A 49 8.768 14.699 1.723 1.00 0.00 C ATOM 765 O GLY A 49 9.628 15.503 2.076 1.00 0.00 O ATOM 0 H GLY A 49 6.843 13.292 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.054 13.562 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.817 15.278 -0.334 1.00 0.00 H new ATOM 769 N GLN A 50 8.004 14.026 2.556 1.00 0.00 N ATOM 770 CA GLN A 50 8.073 14.166 3.984 1.00 0.00 C ATOM 771 C GLN A 50 8.760 12.947 4.525 1.00 0.00 C ATOM 772 O GLN A 50 8.779 11.923 3.856 1.00 0.00 O ATOM 773 CB GLN A 50 6.642 14.289 4.524 1.00 0.00 C ATOM 774 CG GLN A 50 6.259 13.267 5.588 1.00 0.00 C ATOM 775 CD GLN A 50 6.492 13.774 7.000 1.00 0.00 C ATOM 776 OE1 GLN A 50 7.351 14.624 7.235 1.00 0.00 O ATOM 777 NE2 GLN A 50 5.758 13.225 7.952 1.00 0.00 N ATOM 0 H GLN A 50 7.303 13.352 2.246 1.00 0.00 H new ATOM 0 HA GLN A 50 8.631 15.052 4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.512 15.288 4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.947 14.198 3.689 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.208 13.003 5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.836 12.355 5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.056 12.524 7.715 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.893 13.503 8.924 1.00 0.00 H new ATOM 786 N GLU A 51 9.297 13.019 5.716 1.00 0.00 N ATOM 787 CA GLU A 51 9.808 11.817 6.310 1.00 0.00 C ATOM 788 C GLU A 51 8.974 11.483 7.529 1.00 0.00 C ATOM 789 O GLU A 51 8.813 12.306 8.431 1.00 0.00 O ATOM 790 CB GLU A 51 11.283 11.954 6.709 1.00 0.00 C ATOM 791 CG GLU A 51 12.243 12.165 5.546 1.00 0.00 C ATOM 792 CD GLU A 51 12.216 13.579 5.003 1.00 0.00 C ATOM 793 OE1 GLU A 51 12.096 14.528 5.808 1.00 0.00 O ATOM 794 OE2 GLU A 51 12.317 13.748 3.773 1.00 0.00 O ATOM 0 H GLU A 51 9.389 13.867 6.275 1.00 0.00 H new ATOM 0 HA GLU A 51 9.746 11.017 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.382 12.792 7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.583 11.057 7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.256 11.926 5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.992 11.470 4.745 1.00 0.00 H new ATOM 966 N CYS A 63 10.865 7.330 5.906 1.00 0.00 N ATOM 967 CA CYS A 63 10.207 7.100 4.647 1.00 0.00 C ATOM 968 C CYS A 63 9.790 8.439 4.068 1.00 0.00 C ATOM 969 O CYS A 63 9.745 9.419 4.802 1.00 0.00 O ATOM 970 CB CYS A 63 8.992 6.226 4.900 1.00 0.00 C ATOM 971 SG CYS A 63 9.206 5.044 6.251 1.00 0.00 S ATOM 0 HA CYS A 63 10.869 6.600 3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.137 6.865 5.122 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.753 5.680 3.987 1.00 0.00 H new ATOM 0 HG CYS A 63 10.193 5.423 7.007 1.00 0.00 H new ATOM 977 N LYS A 64 9.466 8.501 2.786 1.00 0.00 N ATOM 978 CA LYS A 64 9.158 9.769 2.167 1.00 0.00 C ATOM 979 C LYS A 64 8.152 9.565 1.063 1.00 0.00 C ATOM 980 O LYS A 64 8.283 8.642 0.263 1.00 0.00 O ATOM 981 CB LYS A 64 10.431 10.414 1.607 1.00 0.00 C ATOM 982 CG LYS A 64 11.257 9.480 0.734 1.00 0.00 C ATOM 983 CD LYS A 64 12.474 10.170 0.131 1.00 0.00 C ATOM 984 CE LYS A 64 13.448 10.665 1.195 1.00 0.00 C ATOM 985 NZ LYS A 64 13.051 11.983 1.759 1.00 0.00 N ATOM 0 H LYS A 64 9.411 7.694 2.164 1.00 0.00 H new ATOM 0 HA LYS A 64 8.735 10.435 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.156 11.293 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.047 10.761 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.584 8.627 1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.631 9.089 -0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.989 9.477 -0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.146 11.013 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.507 9.932 1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.445 10.744 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.839 12.655 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.222 12.344 1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.814 11.873 2.766 1.00 0.00 H new ATOM 999 N VAL A 65 7.136 10.400 1.020 1.00 0.00 N ATOM 1000 CA VAL A 65 6.164 10.287 -0.034 1.00 0.00 C ATOM 1001 C VAL A 65 6.737 10.808 -1.331 1.00 0.00 C ATOM 1002 O VAL A 65 7.270 11.914 -1.398 1.00 0.00 O ATOM 1003 CB VAL A 65 4.869 11.029 0.290 1.00 0.00 C ATOM 1004 CG1 VAL A 65 3.945 11.060 -0.914 1.00 0.00 C ATOM 1005 CG2 VAL A 65 4.152 10.387 1.467 1.00 0.00 C ATOM 0 H VAL A 65 6.967 11.149 1.691 1.00 0.00 H new ATOM 0 HA VAL A 65 5.923 9.229 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 65 5.137 12.052 0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.030 11.594 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.442 11.568 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.699 10.040 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.233 10.935 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.910 9.352 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.798 10.413 2.345 1.00 0.00 H new ATOM 1015 N LEU A 66 6.636 9.983 -2.346 1.00 0.00 N ATOM 1016 CA LEU A 66 7.078 10.332 -3.666 1.00 0.00 C ATOM 1017 C LEU A 66 6.176 11.423 -4.225 1.00 0.00 C ATOM 1018 O LEU A 66 6.643 12.446 -4.719 1.00 0.00 O ATOM 1019 CB LEU A 66 7.039 9.082 -4.552 1.00 0.00 C ATOM 1020 CG LEU A 66 8.380 8.711 -5.179 1.00 0.00 C ATOM 1021 CD1 LEU A 66 8.782 9.747 -6.218 1.00 0.00 C ATOM 1022 CD2 LEU A 66 9.445 8.595 -4.102 1.00 0.00 C ATOM 0 H LEU A 66 6.241 9.045 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 66 8.100 10.709 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.685 8.240 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.311 9.238 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 66 8.281 7.746 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.740 9.469 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.024 9.791 -7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.870 10.724 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.398 8.330 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.544 9.549 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.158 7.823 -3.388 1.00 0.00 H new ATOM 1034 N ALA A 67 4.882 11.187 -4.125 1.00 0.00 N ATOM 1035 CA ALA A 67 3.877 12.110 -4.583 1.00 0.00 C ATOM 1036 C ALA A 67 2.585 11.764 -3.890 1.00 0.00 C ATOM 1037 O ALA A 67 2.330 10.591 -3.623 1.00 0.00 O ATOM 1038 CB ALA A 67 3.706 12.019 -6.082 1.00 0.00 C ATOM 0 H ALA A 67 4.500 10.334 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 67 4.176 13.132 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.941 12.726 -6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.650 12.258 -6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.403 11.008 -6.353 1.00 0.00 H new ATOM 1044 N VAL A 68 1.766 12.731 -3.588 1.00 0.00 N ATOM 1045 CA VAL A 68 0.471 12.406 -3.055 1.00 0.00 C ATOM 1046 C VAL A 68 -0.602 13.264 -3.705 1.00 0.00 C ATOM 1047 O VAL A 68 -0.546 14.492 -3.718 1.00 0.00 O ATOM 1048 CB VAL A 68 0.395 12.424 -1.500 1.00 0.00 C ATOM 1049 CG1 VAL A 68 -0.008 13.782 -0.937 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.563 11.338 -1.047 1.00 0.00 C ATOM 0 H VAL A 68 1.962 13.726 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 68 0.281 11.365 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 68 1.394 12.231 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.043 13.729 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.722 14.533 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.991 14.057 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.626 11.339 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.551 11.525 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.201 10.368 -1.388 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.543 12.571 -4.302 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.581 13.166 -5.115 1.00 0.00 C ATOM 1062 C GLN A 69 -3.914 12.616 -4.697 1.00 0.00 C ATOM 1063 O GLN A 69 -4.066 11.393 -4.571 1.00 0.00 O ATOM 1064 CB GLN A 69 -2.326 12.815 -6.572 1.00 0.00 C ATOM 1065 CG GLN A 69 -1.243 13.654 -7.226 1.00 0.00 C ATOM 1066 CD GLN A 69 -1.657 15.099 -7.414 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -0.834 16.007 -7.330 1.00 0.00 O ATOM 1068 NE2 GLN A 69 -2.931 15.321 -7.704 1.00 0.00 N ATOM 0 H GLN A 69 -1.611 11.555 -4.235 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.578 14.249 -4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.047 11.763 -6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.253 12.935 -7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.341 13.615 -6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.991 13.223 -8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.584 14.540 -7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.259 16.273 -7.867 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.901 13.496 -4.609 1.00 0.00 N ATOM 1078 CA ALA A 70 -6.138 13.165 -3.941 1.00 0.00 C ATOM 1079 C ALA A 70 -6.812 12.053 -4.691 1.00 0.00 C ATOM 1080 O ALA A 70 -7.110 12.195 -5.877 1.00 0.00 O ATOM 1081 CB ALA A 70 -7.056 14.373 -3.863 1.00 0.00 C ATOM 0 H ALA A 70 -4.864 14.440 -4.993 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.918 12.848 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.980 14.096 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.562 15.170 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.286 14.721 -4.870 1.00 0.00 H new ATOM 1087 N PRO A 71 -7.094 10.956 -3.961 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.356 9.629 -4.470 1.00 0.00 C ATOM 1089 C PRO A 71 -7.360 9.505 -5.982 1.00 0.00 C ATOM 1090 O PRO A 71 -8.377 9.234 -6.618 1.00 0.00 O ATOM 1091 CB PRO A 71 -8.682 9.383 -3.798 1.00 0.00 C ATOM 1092 CG PRO A 71 -8.400 9.843 -2.399 1.00 0.00 C ATOM 1093 CD PRO A 71 -7.332 10.925 -2.518 1.00 0.00 C ATOM 0 HA PRO A 71 -6.586 8.889 -4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.488 9.951 -4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.971 8.333 -3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.302 10.235 -1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.051 9.017 -1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.681 11.886 -2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.430 10.672 -1.961 1.00 0.00 H new ATOM 1101 N THR A 72 -6.178 9.735 -6.528 1.00 0.00 N ATOM 1102 CA THR A 72 -5.871 9.457 -7.904 1.00 0.00 C ATOM 1103 C THR A 72 -4.513 8.777 -7.973 1.00 0.00 C ATOM 1104 O THR A 72 -4.348 7.762 -8.650 1.00 0.00 O ATOM 1105 CB THR A 72 -5.876 10.745 -8.743 1.00 0.00 C ATOM 1106 OG1 THR A 72 -5.281 11.817 -7.995 1.00 0.00 O ATOM 1107 CG2 THR A 72 -7.295 11.123 -9.127 1.00 0.00 C ATOM 0 H THR A 72 -5.394 10.129 -6.008 1.00 0.00 H new ATOM 0 HA THR A 72 -6.634 8.798 -8.317 1.00 0.00 H new ATOM 0 HB THR A 72 -5.299 10.569 -9.651 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.892 12.096 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.280 12.037 -9.721 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.740 10.318 -9.711 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.885 11.286 -8.225 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.536 9.336 -7.256 1.00 0.00 N ATOM 1116 CA GLU A 73 -2.222 8.709 -7.149 1.00 0.00 C ATOM 1117 C GLU A 73 -1.639 8.985 -5.779 1.00 0.00 C ATOM 1118 O GLU A 73 -1.620 10.119 -5.322 1.00 0.00 O ATOM 1119 CB GLU A 73 -1.282 9.236 -8.236 1.00 0.00 C ATOM 1120 CG GLU A 73 -0.031 8.387 -8.417 1.00 0.00 C ATOM 1121 CD GLU A 73 0.792 8.811 -9.612 1.00 0.00 C ATOM 1122 OE1 GLU A 73 0.300 8.679 -10.754 1.00 0.00 O ATOM 1123 OE2 GLU A 73 1.937 9.266 -9.424 1.00 0.00 O ATOM 0 H GLU A 73 -3.630 10.214 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.333 7.633 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.822 9.281 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.987 10.256 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.581 8.452 -7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.319 7.342 -8.531 1.00 0.00 H new ATOM 1130 N LEU A 74 -1.170 7.959 -5.128 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.408 8.123 -3.916 1.00 0.00 C ATOM 1132 C LEU A 74 0.835 7.299 -4.048 1.00 0.00 C ATOM 1133 O LEU A 74 0.757 6.139 -4.374 1.00 0.00 O ATOM 1134 CB LEU A 74 -1.235 7.669 -2.703 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.459 7.119 -1.508 1.00 0.00 C ATOM 1136 CD1 LEU A 74 0.570 8.088 -1.024 1.00 0.00 C ATOM 1137 CD2 LEU A 74 -1.419 6.793 -0.390 1.00 0.00 C ATOM 0 H LEU A 74 -1.302 6.990 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.150 9.171 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.830 8.516 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.934 6.902 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 74 0.060 6.216 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.101 7.660 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.278 8.297 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.083 9.014 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.865 6.401 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.951 7.697 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.136 6.046 -0.732 1.00 0.00 H new ATOM 1149 N SER A 75 1.972 7.892 -3.828 1.00 0.00 N ATOM 1150 CA SER A 75 3.195 7.128 -3.835 1.00 0.00 C ATOM 1151 C SER A 75 4.064 7.554 -2.712 1.00 0.00 C ATOM 1152 O SER A 75 4.346 8.729 -2.557 1.00 0.00 O ATOM 1153 CB SER A 75 3.936 7.310 -5.146 1.00 0.00 C ATOM 1154 OG SER A 75 5.118 6.536 -5.188 1.00 0.00 O ATOM 0 H SER A 75 2.083 8.889 -3.643 1.00 0.00 H new ATOM 0 HA SER A 75 2.940 6.074 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.286 7.028 -5.974 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.185 8.363 -5.281 1.00 0.00 H new ATOM 0 HG SER A 75 4.895 5.610 -5.417 1.00 0.00 H new ATOM 1160 N PHE A 76 4.494 6.611 -1.935 1.00 0.00 N ATOM 1161 CA PHE A 76 5.413 6.916 -0.877 1.00 0.00 C ATOM 1162 C PHE A 76 6.333 5.749 -0.607 1.00 0.00 C ATOM 1163 O PHE A 76 5.922 4.590 -0.690 1.00 0.00 O ATOM 1164 CB PHE A 76 4.626 7.419 0.322 1.00 0.00 C ATOM 1165 CG PHE A 76 3.978 6.396 1.192 1.00 0.00 C ATOM 1166 CD1 PHE A 76 4.664 5.869 2.270 1.00 0.00 C ATOM 1167 CD2 PHE A 76 2.665 6.008 0.969 1.00 0.00 C ATOM 1168 CE1 PHE A 76 4.072 4.959 3.110 1.00 0.00 C ATOM 1169 CE2 PHE A 76 2.054 5.100 1.815 1.00 0.00 C ATOM 1170 CZ PHE A 76 2.761 4.570 2.888 1.00 0.00 C ATOM 0 H PHE A 76 4.228 5.629 -2.009 1.00 0.00 H new ATOM 0 HA PHE A 76 6.090 7.722 -1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.298 8.012 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.850 8.093 -0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.682 6.178 2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.118 6.416 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.626 4.548 3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.030 4.804 1.642 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.289 3.856 3.547 1.00 0.00 H new ATOM 1180 N GLU A 77 7.571 6.053 -0.274 1.00 0.00 N ATOM 1181 CA GLU A 77 8.602 5.030 -0.239 1.00 0.00 C ATOM 1182 C GLU A 77 9.333 4.984 1.086 1.00 0.00 C ATOM 1183 O GLU A 77 9.462 5.977 1.795 1.00 0.00 O ATOM 1184 CB GLU A 77 9.625 5.267 -1.343 1.00 0.00 C ATOM 1185 CG GLU A 77 9.023 5.283 -2.733 1.00 0.00 C ATOM 1186 CD GLU A 77 10.057 5.185 -3.841 1.00 0.00 C ATOM 1187 OE1 GLU A 77 11.074 5.902 -3.779 1.00 0.00 O ATOM 1188 OE2 GLU A 77 9.846 4.401 -4.792 1.00 0.00 O ATOM 0 H GLU A 77 7.888 6.990 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 77 8.092 4.078 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.128 6.217 -1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.387 4.489 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.322 4.454 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.450 6.201 -2.862 1.00 0.00 H new ATOM 1307 N VAL A 85 4.778 2.000 -2.095 1.00 0.00 N ATOM 1308 CA VAL A 85 3.403 1.765 -1.944 1.00 0.00 C ATOM 1309 C VAL A 85 2.666 2.905 -2.628 1.00 0.00 C ATOM 1310 O VAL A 85 2.576 4.030 -2.127 1.00 0.00 O ATOM 1311 CB VAL A 85 3.027 1.527 -0.483 1.00 0.00 C ATOM 1312 CG1 VAL A 85 3.775 0.308 0.056 1.00 0.00 C ATOM 1313 CG2 VAL A 85 3.370 2.715 0.359 1.00 0.00 C ATOM 0 HA VAL A 85 3.100 0.838 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 85 1.951 1.357 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.501 0.145 1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.509 -0.571 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.849 0.480 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.092 2.519 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.442 2.905 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.826 3.587 -0.004 1.00 0.00 H new ATOM 1323 N THR A 86 2.231 2.604 -3.844 1.00 0.00 N ATOM 1324 CA THR A 86 1.584 3.572 -4.698 1.00 0.00 C ATOM 1325 C THR A 86 0.178 3.118 -4.973 1.00 0.00 C ATOM 1326 O THR A 86 -0.072 1.975 -5.337 1.00 0.00 O ATOM 1327 CB THR A 86 2.321 3.813 -6.053 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.571 4.461 -5.821 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.471 4.684 -6.988 1.00 0.00 C ATOM 0 H THR A 86 2.320 1.677 -4.261 1.00 0.00 H new ATOM 0 HA THR A 86 1.602 4.522 -4.164 1.00 0.00 H new ATOM 0 HB THR A 86 2.488 2.844 -6.524 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.090 4.479 -6.652 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.004 4.839 -7.926 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.523 4.185 -7.188 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.281 5.648 -6.515 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.736 4.015 -4.755 1.00 0.00 N ATOM 1338 CA PHE A 87 -2.121 3.706 -4.880 1.00 0.00 C ATOM 1339 C PHE A 87 -2.718 4.575 -5.961 1.00 0.00 C ATOM 1340 O PHE A 87 -2.550 5.792 -5.953 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.758 3.932 -3.502 1.00 0.00 C ATOM 1342 CG PHE A 87 -2.028 3.140 -2.455 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.973 1.758 -2.514 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.322 3.785 -1.465 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -1.236 1.041 -1.596 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -0.568 3.085 -0.554 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.524 1.701 -0.619 1.00 0.00 C ATOM 0 H PHE A 87 -0.539 4.979 -4.486 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.299 2.672 -5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.731 4.992 -3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.807 3.637 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.514 1.235 -3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.361 4.862 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.217 -0.038 -1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.013 3.610 0.209 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.066 1.143 0.093 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.400 3.949 -6.898 1.00 0.00 N ATOM 1358 CA GLN A 88 -4.020 4.679 -7.981 1.00 0.00 C ATOM 1359 C GLN A 88 -5.522 4.506 -7.922 1.00 0.00 C ATOM 1360 O GLN A 88 -6.044 3.397 -7.881 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.454 4.227 -9.332 1.00 0.00 C ATOM 1362 CG GLN A 88 -2.311 5.098 -9.813 1.00 0.00 C ATOM 1363 CD GLN A 88 -1.889 4.787 -11.236 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -0.725 4.954 -11.599 1.00 0.00 O ATOM 1365 NE2 GLN A 88 -2.829 4.343 -12.058 1.00 0.00 N ATOM 0 H GLN A 88 -3.538 2.939 -6.930 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.794 5.740 -7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.109 3.196 -9.249 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.251 4.238 -10.076 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.607 6.145 -9.748 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.457 4.966 -9.149 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.783 4.217 -11.721 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.598 4.127 -13.028 1.00 0.00 H new ATOM 1374 N LEU A 89 -6.194 5.627 -7.896 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.614 5.674 -7.611 1.00 0.00 C ATOM 1376 C LEU A 89 -8.419 6.361 -8.705 1.00 0.00 C ATOM 1377 O LEU A 89 -7.954 7.318 -9.325 1.00 0.00 O ATOM 1378 CB LEU A 89 -7.843 6.318 -6.255 1.00 0.00 C ATOM 1379 CG LEU A 89 -8.272 5.364 -5.154 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -8.362 6.110 -3.841 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -9.601 4.710 -5.495 1.00 0.00 C ATOM 0 H LEU A 89 -5.775 6.540 -8.072 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.980 4.648 -7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.923 6.815 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.603 7.092 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.527 4.574 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.670 5.423 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.388 6.532 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.093 6.913 -3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.889 4.031 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.365 5.478 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.503 4.151 -6.426 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.620 5.859 -8.941 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.542 6.477 -9.875 1.00 0.00 C ATOM 1395 C GLU A 90 -11.710 7.094 -9.107 1.00 0.00 C ATOM 1396 O GLU A 90 -12.423 6.395 -8.374 1.00 0.00 O ATOM 1397 CB GLU A 90 -11.041 5.405 -10.865 1.00 0.00 C ATOM 1398 CG GLU A 90 -12.526 5.490 -11.219 1.00 0.00 C ATOM 1399 CD GLU A 90 -12.989 4.359 -12.116 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -12.825 4.465 -13.348 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -13.537 3.364 -11.596 1.00 0.00 O ATOM 0 H GLU A 90 -9.980 5.017 -8.493 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.042 7.269 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.459 5.482 -11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -10.840 4.421 -10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.113 5.481 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.722 6.441 -11.714 1.00 0.00 H new ATOM 1408 N ASP A 91 -11.881 8.412 -9.280 1.00 0.00 N ATOM 1409 CA ASP A 91 -12.973 9.157 -8.645 1.00 0.00 C ATOM 1410 C ASP A 91 -14.223 8.968 -9.439 1.00 0.00 C ATOM 1411 O ASP A 91 -14.333 9.462 -10.563 1.00 0.00 O ATOM 1412 CB ASP A 91 -12.715 10.669 -8.614 1.00 0.00 C ATOM 1413 CG ASP A 91 -13.743 11.475 -7.818 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.947 11.395 -8.132 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -13.338 12.255 -6.929 1.00 0.00 O ATOM 0 H ASP A 91 -11.270 8.987 -9.860 1.00 0.00 H new ATOM 0 HA ASP A 91 -13.054 8.778 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.727 10.847 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.695 11.042 -9.638 1.00 0.00 H new ATOM 1461 N LYS A 95 -18.475 4.308 -7.850 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.683 3.645 -6.880 1.00 0.00 C ATOM 1463 C LYS A 95 -16.239 3.832 -7.335 1.00 0.00 C ATOM 1464 O LYS A 95 -16.001 4.499 -8.340 1.00 0.00 O ATOM 1465 CB LYS A 95 -18.061 2.160 -6.906 1.00 0.00 C ATOM 1466 CG LYS A 95 -17.299 1.315 -7.940 1.00 0.00 C ATOM 1467 CD LYS A 95 -17.394 1.814 -9.381 1.00 0.00 C ATOM 1468 CE LYS A 95 -16.000 2.078 -9.960 1.00 0.00 C ATOM 1469 NZ LYS A 95 -15.962 1.983 -11.443 1.00 0.00 N ATOM 0 HA LYS A 95 -17.826 4.028 -5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.888 1.739 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.129 2.076 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.248 1.278 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.676 0.293 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.913 1.076 -9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.986 2.729 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -15.668 3.071 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.295 1.362 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.107 2.456 -11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.948 0.982 -11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.804 2.444 -11.842 1.00 0.00 H new ATOM 1483 N THR A 96 -15.274 3.309 -6.628 1.00 0.00 N ATOM 1484 CA THR A 96 -13.930 3.766 -6.813 1.00 0.00 C ATOM 1485 C THR A 96 -13.119 2.708 -7.510 1.00 0.00 C ATOM 1486 O THR A 96 -13.081 1.557 -7.095 1.00 0.00 O ATOM 1487 CB THR A 96 -13.305 4.058 -5.445 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.196 3.621 -4.418 1.00 0.00 O ATOM 1489 CG2 THR A 96 -13.019 5.537 -5.262 1.00 0.00 C ATOM 0 H THR A 96 -15.393 2.576 -5.929 1.00 0.00 H new ATOM 0 HA THR A 96 -13.939 4.671 -7.421 1.00 0.00 H new ATOM 0 HB THR A 96 -12.358 3.521 -5.385 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.924 4.270 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.576 5.703 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.326 5.872 -6.034 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.949 6.100 -5.341 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.463 3.095 -8.576 1.00 0.00 N ATOM 1498 CA GLY A 97 -11.716 2.107 -9.322 1.00 0.00 C ATOM 1499 C GLY A 97 -10.277 2.091 -8.888 1.00 0.00 C ATOM 1500 O GLY A 97 -9.560 3.076 -9.040 1.00 0.00 O ATOM 0 H GLY A 97 -12.428 4.048 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.157 1.121 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.777 2.326 -10.388 1.00 0.00 H new ATOM 1504 N PHE A 98 -9.854 0.978 -8.319 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.566 0.940 -7.661 1.00 0.00 C ATOM 1506 C PHE A 98 -7.513 0.176 -8.448 1.00 0.00 C ATOM 1507 O PHE A 98 -7.727 -0.942 -8.915 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.641 0.350 -6.255 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.435 0.755 -5.460 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.302 2.066 -5.033 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.423 -0.143 -5.180 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.188 2.476 -4.335 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.299 0.259 -4.483 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.181 1.569 -4.060 1.00 0.00 C ATOM 0 H PHE A 98 -10.376 0.102 -8.300 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.267 1.986 -7.599 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.547 0.694 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.701 -0.737 -6.311 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.084 2.778 -5.251 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.511 -1.168 -5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.101 3.500 -4.004 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.513 -0.451 -4.269 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.303 1.884 -3.515 1.00 0.00 H new ATOM 1524 N THR A 99 -6.378 0.810 -8.594 1.00 0.00 N ATOM 1525 CA THR A 99 -5.188 0.175 -9.124 1.00 0.00 C ATOM 1526 C THR A 99 -4.060 0.337 -8.121 1.00 0.00 C ATOM 1527 O THR A 99 -3.724 1.454 -7.751 1.00 0.00 O ATOM 1528 CB THR A 99 -4.773 0.786 -10.476 1.00 0.00 C ATOM 1529 OG1 THR A 99 -5.884 0.750 -11.379 1.00 0.00 O ATOM 1530 CG2 THR A 99 -3.597 0.028 -11.079 1.00 0.00 C ATOM 0 H THR A 99 -6.248 1.791 -8.347 1.00 0.00 H new ATOM 0 HA THR A 99 -5.402 -0.881 -9.291 1.00 0.00 H new ATOM 0 HB THR A 99 -4.466 1.818 -10.309 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.620 1.140 -12.238 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.324 0.479 -12.033 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.747 0.075 -10.399 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.878 -1.013 -11.238 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.480 -0.750 -7.659 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.391 -0.630 -6.724 1.00 0.00 C ATOM 1540 C LEU A 100 -1.065 -0.908 -7.394 1.00 0.00 C ATOM 1541 O LEU A 100 -0.922 -1.844 -8.176 1.00 0.00 O ATOM 1542 CB LEU A 100 -2.585 -1.578 -5.549 1.00 0.00 C ATOM 1543 CG LEU A 100 -1.761 -1.256 -4.298 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -2.322 -1.990 -3.131 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -0.310 -1.625 -4.450 1.00 0.00 C ATOM 0 H LEU A 100 -3.739 -1.704 -7.910 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.384 0.396 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.640 -1.580 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.338 -2.588 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.817 -0.178 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.736 -1.761 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.356 -1.685 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.285 -3.062 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.227 -1.375 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.225 -2.695 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.120 -1.072 -5.285 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.107 -0.070 -7.068 1.00 0.00 N ATOM 1558 CA ILE A 101 1.240 -0.206 -7.554 1.00 0.00 C ATOM 1559 C ILE A 101 2.180 -0.420 -6.379 1.00 0.00 C ATOM 1560 O ILE A 101 2.175 0.354 -5.424 1.00 0.00 O ATOM 1561 CB ILE A 101 1.748 1.073 -8.269 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.718 1.632 -9.291 1.00 0.00 C ATOM 1563 CG2 ILE A 101 3.117 0.810 -8.925 1.00 0.00 C ATOM 1564 CD1 ILE A 101 -0.449 2.369 -8.669 1.00 0.00 C ATOM 0 H ILE A 101 -0.246 0.731 -6.452 1.00 0.00 H new ATOM 0 HA ILE A 101 1.230 -1.043 -8.253 1.00 0.00 H new ATOM 0 HB ILE A 101 1.871 1.847 -7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.234 2.306 -9.975 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.333 0.805 -9.888 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.462 1.716 -9.423 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.837 0.520 -8.160 1.00 0.00 H new ATOM 0 HG23 ILE A 101 3.022 0.007 -9.656 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.116 2.724 -9.455 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.994 1.695 -8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.079 3.219 -8.096 1.00 0.00 H new ATOM 1576 N HIS A 102 2.980 -1.450 -6.421 1.00 0.00 N ATOM 1577 CA HIS A 102 4.148 -1.461 -5.586 1.00 0.00 C ATOM 1578 C HIS A 102 5.357 -1.447 -6.508 1.00 0.00 C ATOM 1579 O HIS A 102 5.684 -2.447 -7.135 1.00 0.00 O ATOM 1580 CB HIS A 102 4.173 -2.701 -4.659 1.00 0.00 C ATOM 1581 CG HIS A 102 3.432 -2.548 -3.347 1.00 0.00 C ATOM 1582 ND1 HIS A 102 3.553 -3.475 -2.316 1.00 0.00 N ATOM 1583 CD2 HIS A 102 2.542 -1.606 -2.892 1.00 0.00 C ATOM 1584 CE1 HIS A 102 2.791 -3.108 -1.303 1.00 0.00 C ATOM 1585 NE2 HIS A 102 2.171 -1.988 -1.625 1.00 0.00 N ATOM 0 H HIS A 102 2.850 -2.273 -7.009 1.00 0.00 H new ATOM 0 HA HIS A 102 4.150 -0.590 -4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.748 -3.546 -5.200 1.00 0.00 H new ATOM 0 HB3 HIS A 102 5.212 -2.951 -4.443 1.00 0.00 H new ATOM 0 HD2 HIS A 102 2.199 -0.733 -3.427 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.691 -3.636 -0.366 1.00 0.00 H new ATOM 0 HE2 HIS A 102 1.517 -1.484 -1.026 1.00 0.00 H new ATOM 1881 N VAL A 122 7.204 -12.573 -1.537 1.00 0.00 N ATOM 1882 CA VAL A 122 6.637 -11.252 -1.668 1.00 0.00 C ATOM 1883 C VAL A 122 5.916 -11.096 -2.998 1.00 0.00 C ATOM 1884 O VAL A 122 4.869 -10.444 -3.084 1.00 0.00 O ATOM 1885 CB VAL A 122 7.725 -10.192 -1.542 1.00 0.00 C ATOM 1886 CG1 VAL A 122 8.605 -10.175 -2.776 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.107 -8.841 -1.270 1.00 0.00 C ATOM 0 HA VAL A 122 5.912 -11.118 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 122 8.365 -10.440 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.374 -9.411 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.077 -11.150 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.997 -9.952 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.894 -8.092 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.442 -8.573 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.539 -8.881 -0.341 1.00 0.00 H new ATOM 1897 N ARG A 123 6.477 -11.711 -4.033 1.00 0.00 N ATOM 1898 CA ARG A 123 5.857 -11.702 -5.338 1.00 0.00 C ATOM 1899 C ARG A 123 4.519 -12.401 -5.231 1.00 0.00 C ATOM 1900 O ARG A 123 3.537 -11.985 -5.830 1.00 0.00 O ATOM 1901 CB ARG A 123 6.773 -12.394 -6.352 1.00 0.00 C ATOM 1902 CG ARG A 123 6.159 -12.582 -7.728 1.00 0.00 C ATOM 1903 CD ARG A 123 7.181 -13.126 -8.715 1.00 0.00 C ATOM 1904 NE ARG A 123 7.728 -14.414 -8.289 1.00 0.00 N ATOM 1905 CZ ARG A 123 9.007 -14.763 -8.428 1.00 0.00 C ATOM 1906 NH1 ARG A 123 9.890 -13.897 -8.904 1.00 0.00 N ATOM 1907 NH2 ARG A 123 9.412 -15.975 -8.074 1.00 0.00 N ATOM 0 H ARG A 123 7.360 -12.220 -3.986 1.00 0.00 H new ATOM 0 HA ARG A 123 5.698 -10.681 -5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 123 7.688 -11.811 -6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.058 -13.370 -5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 123 5.313 -13.266 -7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 123 5.771 -11.630 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.715 -13.237 -9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 123 7.993 -12.408 -8.828 1.00 0.00 H new ATOM 0 HE ARG A 123 7.092 -15.086 -7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.592 -12.957 -9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 123 10.867 -14.170 -9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 123 8.744 -16.645 -7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 123 10.392 -16.237 -8.182 1.00 0.00 H new ATOM 1921 N GLY A 124 4.487 -13.421 -4.388 1.00 0.00 N ATOM 1922 CA GLY A 124 3.253 -14.133 -4.126 1.00 0.00 C ATOM 1923 C GLY A 124 2.260 -13.301 -3.329 1.00 0.00 C ATOM 1924 O GLY A 124 1.045 -13.426 -3.514 1.00 0.00 O ATOM 0 H GLY A 124 5.298 -13.771 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 124 2.799 -14.427 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.475 -15.050 -3.580 1.00 0.00 H new ATOM 1928 N LYS A 125 2.774 -12.424 -2.460 1.00 0.00 N ATOM 1929 CA LYS A 125 1.926 -11.611 -1.595 1.00 0.00 C ATOM 1930 C LYS A 125 1.067 -10.706 -2.405 1.00 0.00 C ATOM 1931 O LYS A 125 -0.121 -10.557 -2.156 1.00 0.00 O ATOM 1932 CB LYS A 125 2.773 -10.752 -0.679 1.00 0.00 C ATOM 1933 CG LYS A 125 3.766 -11.596 0.067 1.00 0.00 C ATOM 1934 CD LYS A 125 4.371 -10.876 1.259 1.00 0.00 C ATOM 1935 CE LYS A 125 3.380 -10.843 2.415 1.00 0.00 C ATOM 1936 NZ LYS A 125 3.962 -10.277 3.660 1.00 0.00 N ATOM 0 H LYS A 125 3.774 -12.262 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 125 1.307 -12.291 -1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.297 -9.995 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 125 2.133 -10.223 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 125 3.277 -12.508 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 125 4.563 -11.898 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 125 5.287 -11.379 1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.646 -9.859 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.511 -10.252 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.026 -11.855 2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.243 -10.280 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.775 -10.854 3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 4.276 -9.301 3.484 1.00 0.00 H new ATOM 1950 N MET A 126 1.676 -10.110 -3.387 1.00 0.00 N ATOM 1951 CA MET A 126 0.970 -9.177 -4.205 1.00 0.00 C ATOM 1952 C MET A 126 0.182 -9.942 -5.253 1.00 0.00 C ATOM 1953 O MET A 126 -0.922 -9.547 -5.626 1.00 0.00 O ATOM 1954 CB MET A 126 1.944 -8.171 -4.829 1.00 0.00 C ATOM 1955 CG MET A 126 3.059 -7.722 -3.878 1.00 0.00 C ATOM 1956 SD MET A 126 2.475 -7.392 -2.203 1.00 0.00 S ATOM 1957 CE MET A 126 4.016 -7.095 -1.355 1.00 0.00 C ATOM 0 H MET A 126 2.654 -10.254 -3.638 1.00 0.00 H new ATOM 0 HA MET A 126 0.268 -8.601 -3.602 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.393 -8.616 -5.717 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.386 -7.295 -5.159 1.00 0.00 H new ATOM 0 HG2 MET A 126 3.829 -8.493 -3.842 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.527 -6.822 -4.277 1.00 0.00 H new ATOM 0 HE1 MET A 126 3.912 -6.226 -0.706 1.00 0.00 H new ATOM 0 HE2 MET A 126 4.275 -7.967 -0.755 1.00 0.00 H new ATOM 0 HE3 MET A 126 4.804 -6.910 -2.086 1.00 0.00 H new ATOM 1967 N ASP A 127 0.689 -11.124 -5.607 1.00 0.00 N ATOM 1968 CA ASP A 127 0.163 -11.862 -6.760 1.00 0.00 C ATOM 1969 C ASP A 127 -1.153 -12.572 -6.431 1.00 0.00 C ATOM 1970 O ASP A 127 -1.925 -12.930 -7.324 1.00 0.00 O ATOM 1971 CB ASP A 127 1.210 -12.883 -7.224 1.00 0.00 C ATOM 1972 CG ASP A 127 0.714 -13.829 -8.298 1.00 0.00 C ATOM 1973 OD1 ASP A 127 0.695 -13.435 -9.484 1.00 0.00 O ATOM 1974 OD2 ASP A 127 0.373 -14.983 -7.966 1.00 0.00 O ATOM 0 H ASP A 127 1.455 -11.588 -5.119 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.044 -11.148 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.082 -12.348 -7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 127 1.540 -13.466 -6.364 1.00 0.00 H new ATOM 1979 N GLY A 128 -1.440 -12.703 -5.152 1.00 0.00 N ATOM 1980 CA GLY A 128 -2.721 -13.247 -4.732 1.00 0.00 C ATOM 1981 C GLY A 128 -3.262 -12.515 -3.525 1.00 0.00 C ATOM 1982 O GLY A 128 -4.474 -12.269 -3.399 1.00 0.00 O ATOM 0 H GLY A 128 -0.813 -12.444 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -3.435 -13.176 -5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -2.609 -14.306 -4.498 1.00 0.00 H new ATOM 1986 N GLY A 129 -2.355 -12.125 -2.648 1.00 0.00 N ATOM 1987 CA GLY A 129 -2.749 -11.455 -1.446 1.00 0.00 C ATOM 1988 C GLY A 129 -3.288 -10.076 -1.720 1.00 0.00 C ATOM 1989 O GLY A 129 -4.047 -9.554 -0.918 1.00 0.00 O ATOM 0 H GLY A 129 -1.350 -12.264 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -3.508 -12.046 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.894 -11.383 -0.774 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.924 -9.476 -2.859 1.00 0.00 N ATOM 1994 CA TRP A 130 -3.393 -8.135 -3.154 1.00 0.00 C ATOM 1995 C TRP A 130 -4.882 -8.083 -3.413 1.00 0.00 C ATOM 1996 O TRP A 130 -5.525 -7.099 -3.087 1.00 0.00 O ATOM 1997 CB TRP A 130 -2.636 -7.525 -4.311 1.00 0.00 C ATOM 1998 CG TRP A 130 -1.493 -6.704 -3.842 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -1.031 -6.609 -2.567 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -0.673 -5.858 -4.630 1.00 0.00 C ATOM 2001 NE1 TRP A 130 0.020 -5.742 -2.513 1.00 0.00 N ATOM 2002 CE2 TRP A 130 0.263 -5.275 -3.772 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -0.634 -5.540 -5.980 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 1.217 -4.394 -4.223 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 0.314 -4.658 -6.430 1.00 0.00 C ATOM 2006 CH2 TRP A 130 1.231 -4.094 -5.552 1.00 0.00 C ATOM 0 H TRP A 130 -2.322 -9.892 -3.569 1.00 0.00 H new ATOM 0 HA TRP A 130 -3.197 -7.543 -2.260 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -2.272 -8.316 -4.966 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -3.311 -6.906 -4.903 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -1.437 -7.142 -1.720 1.00 0.00 H new ATOM 0 HE1 TRP A 130 0.538 -5.485 -1.672 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -1.341 -5.981 -6.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 1.933 -3.953 -3.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 0.348 -4.399 -7.478 1.00 0.00 H new ATOM 0 HH2 TRP A 130 1.970 -3.404 -5.931 1.00 0.00 H new ATOM 2017 N THR A 131 -5.455 -9.112 -3.992 1.00 0.00 N ATOM 2018 CA THR A 131 -6.888 -9.119 -4.130 1.00 0.00 C ATOM 2019 C THR A 131 -7.536 -9.417 -2.781 1.00 0.00 C ATOM 2020 O THR A 131 -8.591 -8.901 -2.461 1.00 0.00 O ATOM 2021 CB THR A 131 -7.364 -10.084 -5.219 1.00 0.00 C ATOM 2022 OG1 THR A 131 -6.633 -11.313 -5.140 1.00 0.00 O ATOM 2023 CG2 THR A 131 -7.178 -9.449 -6.593 1.00 0.00 C ATOM 0 H THR A 131 -4.969 -9.928 -4.363 1.00 0.00 H new ATOM 0 HA THR A 131 -7.202 -8.127 -4.455 1.00 0.00 H new ATOM 0 HB THR A 131 -8.423 -10.296 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 131 -6.945 -11.925 -5.839 1.00 0.00 H new ATOM 0 HG21 THR A 131 -7.519 -10.141 -7.363 1.00 0.00 H new ATOM 0 HG22 THR A 131 -7.759 -8.528 -6.650 1.00 0.00 H new ATOM 0 HG23 THR A 131 -6.123 -9.223 -6.750 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.884 -10.223 -1.977 1.00 0.00 N ATOM 2032 CA GLY A 132 -7.296 -10.361 -0.599 1.00 0.00 C ATOM 2033 C GLY A 132 -7.291 -9.029 0.137 1.00 0.00 C ATOM 2034 O GLY A 132 -8.340 -8.491 0.468 1.00 0.00 O ATOM 0 H GLY A 132 -6.077 -10.786 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -8.297 -10.791 -0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.630 -11.058 -0.090 1.00 0.00 H new ATOM 2038 N ILE A 133 -6.126 -8.462 0.364 1.00 0.00 N ATOM 2039 CA ILE A 133 -6.048 -7.239 1.143 1.00 0.00 C ATOM 2040 C ILE A 133 -6.608 -6.035 0.385 1.00 0.00 C ATOM 2041 O ILE A 133 -7.460 -5.333 0.904 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.610 -6.937 1.613 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -3.631 -6.929 0.434 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -4.176 -7.946 2.670 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -2.191 -6.693 0.833 1.00 0.00 C ATOM 0 H ILE A 133 -5.231 -8.819 0.028 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.668 -7.410 2.023 1.00 0.00 H new ATOM 0 HB ILE A 133 -4.600 -5.942 2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -3.701 -7.882 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -3.934 -6.155 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.159 -7.721 2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -4.849 -7.889 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -4.209 -8.951 2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.561 -6.702 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -2.105 -5.726 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -1.868 -7.481 1.514 1.00 0.00 H new ATOM 2057 N VAL A 134 -6.181 -5.812 -0.849 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.628 -4.643 -1.585 1.00 0.00 C ATOM 2059 C VAL A 134 -7.997 -4.850 -2.206 1.00 0.00 C ATOM 2060 O VAL A 134 -8.852 -3.991 -2.109 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.627 -4.240 -2.681 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -5.924 -2.848 -3.196 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -4.217 -4.315 -2.148 1.00 0.00 C ATOM 0 H VAL A 134 -5.534 -6.417 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 134 -6.695 -3.836 -0.855 1.00 0.00 H new ATOM 0 HB VAL A 134 -5.727 -4.937 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -5.203 -2.585 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -6.931 -2.822 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -5.852 -2.134 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -3.516 -4.028 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.112 -3.637 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -4.003 -5.334 -1.826 1.00 0.00 H new ATOM 2073 N ASN A 135 -8.264 -5.995 -2.797 1.00 0.00 N ATOM 2074 CA ASN A 135 -9.536 -6.115 -3.477 1.00 0.00 C ATOM 2075 C ASN A 135 -10.611 -6.287 -2.435 1.00 0.00 C ATOM 2076 O ASN A 135 -11.611 -5.561 -2.419 1.00 0.00 O ATOM 2077 CB ASN A 135 -9.510 -7.286 -4.474 1.00 0.00 C ATOM 2078 CG ASN A 135 -10.836 -7.586 -5.170 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -11.920 -7.430 -4.608 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -10.750 -8.027 -6.415 1.00 0.00 N ATOM 0 H ASN A 135 -7.657 -6.814 -2.823 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.743 -5.217 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -8.759 -7.075 -5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -9.186 -8.183 -3.946 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -11.598 -8.248 -6.937 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -9.836 -8.145 -6.852 1.00 0.00 H new ATOM 2087 N GLU A 136 -10.320 -7.112 -1.452 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.332 -7.519 -0.551 1.00 0.00 C ATOM 2089 C GLU A 136 -11.351 -6.586 0.649 1.00 0.00 C ATOM 2090 O GLU A 136 -12.388 -6.036 0.985 1.00 0.00 O ATOM 2091 CB GLU A 136 -11.004 -8.950 -0.135 1.00 0.00 C ATOM 2092 CG GLU A 136 -11.986 -9.552 0.849 1.00 0.00 C ATOM 2093 CD GLU A 136 -13.338 -9.849 0.241 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -13.435 -10.789 -0.578 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -14.320 -9.173 0.610 1.00 0.00 O ATOM 0 H GLU A 136 -9.395 -7.501 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 136 -12.320 -7.480 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -10.970 -9.577 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.007 -8.969 0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -11.566 -10.474 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -12.115 -8.867 1.687 1.00 0.00 H new ATOM 2102 N ARG A 137 -10.182 -6.314 1.227 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.109 -5.445 2.390 1.00 0.00 C ATOM 2104 C ARG A 137 -10.076 -3.976 2.024 1.00 0.00 C ATOM 2105 O ARG A 137 -10.561 -3.168 2.779 1.00 0.00 O ATOM 2106 CB ARG A 137 -8.979 -5.822 3.344 1.00 0.00 C ATOM 2107 CG ARG A 137 -8.547 -4.694 4.286 1.00 0.00 C ATOM 2108 CD ARG A 137 -9.660 -4.232 5.229 1.00 0.00 C ATOM 2109 NE ARG A 137 -9.992 -5.226 6.249 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.110 -5.192 6.978 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -11.982 -4.203 6.815 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -11.346 -6.132 7.883 1.00 0.00 N ATOM 0 H ARG A 137 -9.284 -6.680 0.910 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.039 -5.609 2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.294 -6.678 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.117 -6.141 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -7.696 -5.030 4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.207 -3.845 3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.355 -3.306 5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.553 -4.005 4.646 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.333 -5.987 6.413 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.798 -3.468 6.132 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.836 -4.179 7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -10.672 -6.885 8.024 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.201 -6.102 8.438 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.504 -3.587 0.906 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.566 -2.189 0.570 1.00 0.00 C ATOM 2128 C LEU A 138 -11.010 -1.858 0.296 1.00 0.00 C ATOM 2129 O LEU A 138 -11.488 -0.832 0.746 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.643 -1.832 -0.586 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.486 -0.355 -0.911 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.056 0.454 0.298 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.467 -0.206 -2.002 1.00 0.00 C ATOM 0 H LEU A 138 -9.013 -4.188 0.244 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.204 -1.583 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.655 -2.238 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.007 -2.339 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.455 0.027 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -7.957 1.503 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -8.804 0.358 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.098 0.083 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.345 0.850 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.513 -0.614 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.801 -0.746 -2.888 1.00 0.00 H new ATOM 2145 N ARG A 139 -11.734 -2.766 -0.378 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.181 -2.612 -0.470 1.00 0.00 C ATOM 2147 C ARG A 139 -13.790 -2.710 0.930 1.00 0.00 C ATOM 2148 O ARG A 139 -14.775 -2.056 1.222 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.792 -3.652 -1.432 1.00 0.00 C ATOM 2150 CG ARG A 139 -15.222 -3.345 -1.904 1.00 0.00 C ATOM 2151 CD ARG A 139 -16.242 -3.529 -0.791 1.00 0.00 C ATOM 2152 NE ARG A 139 -17.624 -3.357 -1.233 1.00 0.00 N ATOM 2153 CZ ARG A 139 -18.677 -3.790 -0.541 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -18.497 -4.468 0.583 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -19.909 -3.572 -0.982 1.00 0.00 N ATOM 0 H ARG A 139 -11.351 -3.585 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.412 -1.630 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -13.148 -3.736 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -13.790 -4.624 -0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.270 -2.321 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -15.476 -3.997 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -16.127 -4.525 -0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -16.032 -2.815 0.005 1.00 0.00 H new ATOM 0 HE ARG A 139 -17.792 -2.880 -2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -17.553 -4.658 0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -19.303 -4.800 1.113 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -20.056 -3.069 -1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -20.709 -3.907 -0.446 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.201 -3.509 1.807 1.00 0.00 N ATOM 2170 CA LYS A 140 -13.691 -3.629 3.156 1.00 0.00 C ATOM 2171 C LYS A 140 -13.488 -2.357 3.988 1.00 0.00 C ATOM 2172 O LYS A 140 -14.380 -1.905 4.672 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.004 -4.798 3.851 1.00 0.00 C ATOM 2174 CG LYS A 140 -13.919 -5.969 4.110 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.536 -7.175 3.291 1.00 0.00 C ATOM 2176 CE LYS A 140 -12.186 -7.734 3.722 1.00 0.00 C ATOM 2177 NZ LYS A 140 -12.297 -8.628 4.906 1.00 0.00 N ATOM 0 H LYS A 140 -12.382 -4.081 1.600 1.00 0.00 H new ATOM 0 HA LYS A 140 -14.765 -3.798 3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.165 -5.131 3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -12.591 -4.454 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -13.889 -6.225 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -14.946 -5.685 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -14.300 -7.945 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -13.499 -6.903 2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.742 -8.286 2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.511 -6.910 3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.354 -8.984 5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -12.696 -8.096 5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -12.919 -9.430 4.679 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.329 -1.775 3.912 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.008 -0.620 4.724 1.00 0.00 C ATOM 2193 C ALA A 141 -12.735 0.602 4.203 1.00 0.00 C ATOM 2194 O ALA A 141 -13.057 1.519 4.958 1.00 0.00 O ATOM 2195 CB ALA A 141 -10.510 -0.398 4.759 1.00 0.00 C ATOM 0 H ALA A 141 -11.578 -2.078 3.292 1.00 0.00 H new ATOM 0 HA ALA A 141 -12.341 -0.801 5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -10.286 0.474 5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.022 -1.276 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.143 -0.232 3.746 1.00 0.00 H new ATOM 2201 N VAL A 142 -12.999 0.607 2.905 1.00 0.00 N ATOM 2202 CA VAL A 142 -13.731 1.684 2.297 1.00 0.00 C ATOM 2203 C VAL A 142 -15.217 1.403 2.404 1.00 0.00 C ATOM 2204 O VAL A 142 -16.041 2.310 2.309 1.00 0.00 O ATOM 2205 CB VAL A 142 -13.338 1.893 0.821 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -11.850 2.171 0.708 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -13.728 0.715 -0.057 1.00 0.00 C ATOM 0 H VAL A 142 -12.712 -0.129 2.260 1.00 0.00 H new ATOM 0 HA VAL A 142 -13.483 2.602 2.830 1.00 0.00 H new ATOM 0 HB VAL A 142 -13.895 2.757 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.586 2.317 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.604 3.070 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.290 1.326 1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.429 0.913 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.228 -0.186 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -14.808 0.571 -0.014 1.00 0.00 H new ATOM 2217 N GLU A 143 -15.550 0.133 2.623 1.00 0.00 N ATOM 2218 CA GLU A 143 -16.948 -0.283 2.712 1.00 0.00 C ATOM 2219 C GLU A 143 -17.159 -1.379 3.745 1.00 0.00 C ATOM 2220 O GLU A 143 -17.817 -1.167 4.765 1.00 0.00 O ATOM 2221 CB GLU A 143 -17.438 -0.810 1.365 1.00 0.00 C ATOM 2222 CG GLU A 143 -17.662 0.247 0.311 1.00 0.00 C ATOM 2223 CD GLU A 143 -19.019 0.912 0.432 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -20.037 0.223 0.215 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -19.080 2.122 0.726 1.00 0.00 O ATOM 0 H GLU A 143 -14.875 -0.622 2.742 1.00 0.00 H new ATOM 0 HA GLU A 143 -17.511 0.601 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -16.712 -1.530 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -18.372 -1.350 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -16.882 1.004 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -17.569 -0.205 -0.677 1.00 0.00 H new ATOM 2232 N GLU A 144 -16.559 -2.538 3.472 1.00 0.00 N ATOM 2233 CA GLU A 144 -16.888 -3.789 4.155 1.00 0.00 C ATOM 2234 C GLU A 144 -18.412 -3.912 4.266 1.00 0.00 C ATOM 2235 O GLU A 144 -19.080 -4.151 3.262 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.188 -3.864 5.523 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.377 -5.189 6.247 1.00 0.00 C ATOM 2238 CD GLU A 144 -15.439 -5.365 7.428 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -14.468 -4.593 7.551 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -15.656 -6.305 8.222 1.00 0.00 O ATOM 0 H GLU A 144 -15.828 -2.636 2.768 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.521 -4.637 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -15.121 -3.688 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -16.564 -3.060 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -17.407 -5.261 6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -16.221 -6.006 5.543 1.00 0.00 H new