USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=22 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= -4.25! C(o=-4.2!,f=-5.2!) USER MOD Set 1.2: A 126 MET CE :methyl 151:sc=-0.00163 (180deg=-0.0559) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= 0.774 USER MOD Set 2.2: A 86 THR OG1 : rot -102:sc= 1.24 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 140:sc= 1.2 (180deg=-0.662) 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 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 136:sc= 1.24 (180deg=0.95) USER MOD Single : A 28 THR OG1 : rot 68:sc= 0.979 USER MOD Single : A 30 SER OG : rot -152:sc= -2.92! USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0954 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -6.85! C(o=-6.9!,f=-18!) USER MOD Single : A 63 CYS SG : rot -18:sc= 0.128 USER MOD Single : A 64 LYS NZ :NH3+ -127:sc= 0.459 (180deg=0.261) USER MOD Single : A 69 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.59) USER MOD Single : A 72 THR OG1 : rot -70:sc= -0.658 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.218 F(o=-1.2,f=-0.22) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -74:sc= -1.3! USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.085) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 135 ASN : amide:sc= -2.37 K(o=-2.4,f=-7.5!) USER MOD Single : A 140 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0107) USER MOD ----------------------------------------------------------------- ATOM 159 N ILE A 12 4.497 -4.336 -9.534 1.00 0.00 N ATOM 160 CA ILE A 12 3.286 -5.093 -9.305 1.00 0.00 C ATOM 161 C ILE A 12 2.080 -4.179 -9.298 1.00 0.00 C ATOM 162 O ILE A 12 2.051 -3.174 -8.596 1.00 0.00 O ATOM 163 CB ILE A 12 3.397 -5.866 -7.956 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.879 -7.296 -8.202 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.092 -5.872 -7.155 1.00 0.00 C ATOM 166 CD1 ILE A 12 2.895 -8.150 -8.976 1.00 0.00 C ATOM 0 HA ILE A 12 3.159 -5.811 -10.115 1.00 0.00 H new ATOM 0 HB ILE A 12 4.129 -5.332 -7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.823 -7.262 -8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.081 -7.771 -7.242 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.237 -6.426 -6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.802 -4.847 -6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.307 -6.347 -7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.308 -9.150 -9.110 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.958 -8.216 -8.424 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.711 -7.699 -9.951 1.00 0.00 H new ATOM 178 N THR A 13 1.100 -4.511 -10.104 1.00 0.00 N ATOM 179 CA THR A 13 -0.151 -3.822 -10.068 1.00 0.00 C ATOM 180 C THR A 13 -1.251 -4.780 -9.679 1.00 0.00 C ATOM 181 O THR A 13 -1.321 -5.907 -10.174 1.00 0.00 O ATOM 182 CB THR A 13 -0.478 -3.173 -11.415 1.00 0.00 C ATOM 183 OG1 THR A 13 0.005 -3.984 -12.497 1.00 0.00 O ATOM 184 CG2 THR A 13 0.105 -1.771 -11.499 1.00 0.00 C ATOM 0 H THR A 13 1.154 -5.260 -10.794 1.00 0.00 H new ATOM 0 HA THR A 13 -0.075 -3.028 -9.326 1.00 0.00 H new ATOM 0 HB THR A 13 -1.562 -3.095 -11.498 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.214 -3.555 -13.350 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.141 -1.332 -12.466 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.313 -1.155 -10.703 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.188 -1.820 -11.388 1.00 0.00 H new ATOM 192 N LYS A 14 -2.086 -4.345 -8.771 1.00 0.00 N ATOM 193 CA LYS A 14 -3.212 -5.133 -8.358 1.00 0.00 C ATOM 194 C LYS A 14 -4.457 -4.300 -8.526 1.00 0.00 C ATOM 195 O LYS A 14 -4.516 -3.176 -8.054 1.00 0.00 O ATOM 196 CB LYS A 14 -3.035 -5.584 -6.904 1.00 0.00 C ATOM 197 CG LYS A 14 -3.899 -6.780 -6.530 1.00 0.00 C ATOM 198 CD LYS A 14 -3.982 -7.787 -7.676 1.00 0.00 C ATOM 199 CE LYS A 14 -2.627 -8.368 -8.052 1.00 0.00 C ATOM 200 NZ LYS A 14 -2.296 -9.582 -7.263 1.00 0.00 N ATOM 0 H LYS A 14 -2.004 -3.443 -8.302 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.295 -6.032 -8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.988 -5.835 -6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.274 -4.752 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.487 -7.266 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.901 -6.440 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.653 -8.598 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.419 -7.302 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.622 -8.615 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.855 -7.614 -7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.840 -10.284 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.648 -9.328 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.168 -9.986 -6.865 1.00 0.00 H new ATOM 214 N SER A 15 -5.456 -4.845 -9.176 1.00 0.00 N ATOM 215 CA SER A 15 -6.611 -4.065 -9.509 1.00 0.00 C ATOM 216 C SER A 15 -7.857 -4.670 -8.914 1.00 0.00 C ATOM 217 O SER A 15 -8.055 -5.887 -8.910 1.00 0.00 O ATOM 218 CB SER A 15 -6.765 -3.982 -11.016 1.00 0.00 C ATOM 219 OG SER A 15 -5.504 -3.846 -11.657 1.00 0.00 O ATOM 0 H SER A 15 -5.489 -5.818 -9.481 1.00 0.00 H new ATOM 0 HA SER A 15 -6.474 -3.065 -9.098 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.267 -4.878 -11.382 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.399 -3.134 -11.273 1.00 0.00 H new ATOM 0 HG SER A 15 -5.634 -3.797 -12.627 1.00 0.00 H new ATOM 225 N ILE A 16 -8.665 -3.790 -8.396 1.00 0.00 N ATOM 226 CA ILE A 16 -9.911 -4.126 -7.777 1.00 0.00 C ATOM 227 C ILE A 16 -10.862 -2.960 -7.911 1.00 0.00 C ATOM 228 O ILE A 16 -10.443 -1.804 -7.933 1.00 0.00 O ATOM 229 CB ILE A 16 -9.751 -4.482 -6.288 1.00 0.00 C ATOM 230 CG1 ILE A 16 -11.126 -4.449 -5.609 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.750 -3.560 -5.601 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.301 -3.422 -4.526 1.00 0.00 C ATOM 0 H ILE A 16 -8.467 -2.789 -8.394 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.303 -5.008 -8.284 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.347 -5.491 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.883 -4.274 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.323 -5.433 -5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.660 -3.838 -4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.778 -3.653 -6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.095 -2.529 -5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.310 -3.491 -4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.576 -3.603 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.144 -2.426 -4.940 1.00 0.00 H new ATOM 244 N THR A 17 -12.127 -3.250 -8.005 1.00 0.00 N ATOM 245 CA THR A 17 -13.100 -2.205 -7.991 1.00 0.00 C ATOM 246 C THR A 17 -13.631 -2.040 -6.576 1.00 0.00 C ATOM 247 O THR A 17 -14.239 -2.955 -6.013 1.00 0.00 O ATOM 248 CB THR A 17 -14.250 -2.532 -8.943 1.00 0.00 C ATOM 249 OG1 THR A 17 -13.728 -2.924 -10.221 1.00 0.00 O ATOM 250 CG2 THR A 17 -15.149 -1.329 -9.113 1.00 0.00 C ATOM 0 H THR A 17 -12.504 -4.194 -8.091 1.00 0.00 H new ATOM 0 HA THR A 17 -12.634 -1.277 -8.321 1.00 0.00 H new ATOM 0 HB THR A 17 -14.830 -3.352 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.469 -3.134 -10.827 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.964 -1.577 -9.794 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.560 -1.042 -8.145 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.573 -0.499 -9.523 1.00 0.00 H new ATOM 258 N LEU A 18 -13.420 -0.861 -6.015 1.00 0.00 N ATOM 259 CA LEU A 18 -13.875 -0.560 -4.692 1.00 0.00 C ATOM 260 C LEU A 18 -15.227 0.025 -4.849 1.00 0.00 C ATOM 261 O LEU A 18 -15.354 1.101 -5.401 1.00 0.00 O ATOM 262 CB LEU A 18 -12.983 0.486 -4.016 1.00 0.00 C ATOM 263 CG LEU A 18 -11.503 0.163 -3.925 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.720 1.418 -3.611 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.240 -0.875 -2.852 1.00 0.00 C ATOM 0 H LEU A 18 -12.928 -0.094 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.862 -1.462 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.093 1.427 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.358 0.651 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.184 -0.239 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.659 1.178 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.879 2.153 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.057 1.829 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.172 -1.089 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.575 -0.494 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.784 -1.789 -3.089 1.00 0.00 H new ATOM 277 N GLU A 19 -16.254 -0.655 -4.452 1.00 0.00 N ATOM 278 CA GLU A 19 -17.520 -0.010 -4.526 1.00 0.00 C ATOM 279 C GLU A 19 -17.575 0.995 -3.383 1.00 0.00 C ATOM 280 O GLU A 19 -18.031 0.700 -2.282 1.00 0.00 O ATOM 281 CB GLU A 19 -18.590 -1.086 -4.414 1.00 0.00 C ATOM 282 CG GLU A 19 -18.168 -2.230 -3.502 1.00 0.00 C ATOM 283 CD GLU A 19 -18.929 -3.509 -3.759 1.00 0.00 C ATOM 284 OE1 GLU A 19 -20.154 -3.539 -3.541 1.00 0.00 O ATOM 285 OE2 GLU A 19 -18.295 -4.494 -4.190 1.00 0.00 O ATOM 0 H GLU A 19 -16.246 -1.609 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.681 0.525 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.510 -0.642 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.812 -1.479 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.102 -2.417 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.313 -1.931 -2.464 1.00 0.00 H new ATOM 292 N ALA A 20 -17.091 2.195 -3.682 1.00 0.00 N ATOM 293 CA ALA A 20 -17.054 3.277 -2.715 1.00 0.00 C ATOM 294 C ALA A 20 -17.021 4.619 -3.414 1.00 0.00 C ATOM 295 O ALA A 20 -16.743 4.688 -4.596 1.00 0.00 O ATOM 296 CB ALA A 20 -15.843 3.132 -1.818 1.00 0.00 C ATOM 0 H ALA A 20 -16.716 2.441 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.957 3.225 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.825 3.949 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.894 2.181 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.937 3.162 -2.423 1.00 0.00 H new ATOM 302 N PRO A 21 -17.244 5.707 -2.698 1.00 0.00 N ATOM 303 CA PRO A 21 -16.944 7.031 -3.220 1.00 0.00 C ATOM 304 C PRO A 21 -15.459 7.339 -3.041 1.00 0.00 C ATOM 305 O PRO A 21 -14.813 6.761 -2.159 1.00 0.00 O ATOM 306 CB PRO A 21 -17.791 7.935 -2.345 1.00 0.00 C ATOM 307 CG PRO A 21 -17.824 7.230 -1.028 1.00 0.00 C ATOM 308 CD PRO A 21 -17.781 5.755 -1.330 1.00 0.00 C ATOM 0 HA PRO A 21 -17.154 7.145 -4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.353 8.929 -2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.793 8.064 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.976 7.524 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.727 7.486 -0.474 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.143 5.219 -0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.771 5.303 -1.270 1.00 0.00 H new ATOM 316 N ILE A 22 -14.916 8.241 -3.852 1.00 0.00 N ATOM 317 CA ILE A 22 -13.487 8.576 -3.784 1.00 0.00 C ATOM 318 C ILE A 22 -13.095 8.989 -2.367 1.00 0.00 C ATOM 319 O ILE A 22 -12.006 8.696 -1.891 1.00 0.00 O ATOM 320 CB ILE A 22 -13.131 9.697 -4.789 1.00 0.00 C ATOM 321 CG1 ILE A 22 -11.645 10.063 -4.707 1.00 0.00 C ATOM 322 CG2 ILE A 22 -13.999 10.920 -4.551 1.00 0.00 C ATOM 323 CD1 ILE A 22 -11.190 11.049 -5.758 1.00 0.00 C ATOM 0 H ILE A 22 -15.436 8.755 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.922 7.684 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.327 9.323 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.439 10.479 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.053 9.153 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.735 11.698 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.048 10.652 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.838 11.289 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.127 11.254 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.361 10.629 -6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.753 11.976 -5.655 1.00 0.00 H new ATOM 335 N GLN A 23 -14.036 9.626 -1.705 1.00 0.00 N ATOM 336 CA GLN A 23 -13.888 10.114 -0.343 1.00 0.00 C ATOM 337 C GLN A 23 -13.687 9.001 0.698 1.00 0.00 C ATOM 338 O GLN A 23 -13.037 9.218 1.720 1.00 0.00 O ATOM 339 CB GLN A 23 -15.118 10.918 -0.009 1.00 0.00 C ATOM 340 CG GLN A 23 -16.350 10.100 -0.219 1.00 0.00 C ATOM 341 CD GLN A 23 -17.623 10.923 -0.244 1.00 0.00 C ATOM 342 OE1 GLN A 23 -18.287 11.085 0.779 1.00 0.00 O ATOM 343 NE2 GLN A 23 -17.955 11.476 -1.398 1.00 0.00 N ATOM 0 H GLN A 23 -14.952 9.826 -2.107 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.982 10.719 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.070 11.254 1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -15.156 11.811 -0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -16.260 9.556 -1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.423 9.356 0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.378 11.318 -2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.788 12.061 -1.462 1.00 0.00 H new ATOM 352 N LYS A 24 -14.253 7.823 0.479 1.00 0.00 N ATOM 353 CA LYS A 24 -14.136 6.775 1.484 1.00 0.00 C ATOM 354 C LYS A 24 -12.785 6.082 1.327 1.00 0.00 C ATOM 355 O LYS A 24 -12.097 5.760 2.296 1.00 0.00 O ATOM 356 CB LYS A 24 -15.276 5.765 1.338 1.00 0.00 C ATOM 357 CG LYS A 24 -15.899 5.342 2.665 1.00 0.00 C ATOM 358 CD LYS A 24 -14.910 4.598 3.549 1.00 0.00 C ATOM 359 CE LYS A 24 -15.503 4.290 4.917 1.00 0.00 C ATOM 360 NZ LYS A 24 -15.594 5.504 5.769 1.00 0.00 N ATOM 0 H LYS A 24 -14.781 7.572 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.203 7.217 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.051 6.196 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.901 4.879 0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.263 6.224 3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.763 4.706 2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.614 3.669 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.007 5.196 3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.496 3.859 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.890 3.540 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.518 5.525 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.837 5.485 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.490 6.352 5.177 1.00 0.00 H new ATOM 374 N VAL A 25 -12.393 5.925 0.083 1.00 0.00 N ATOM 375 CA VAL A 25 -11.051 5.505 -0.270 1.00 0.00 C ATOM 376 C VAL A 25 -10.045 6.571 0.171 1.00 0.00 C ATOM 377 O VAL A 25 -8.920 6.270 0.537 1.00 0.00 O ATOM 378 CB VAL A 25 -10.926 5.208 -1.776 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.681 4.378 -2.035 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.176 4.489 -2.289 1.00 0.00 C ATOM 0 H VAL A 25 -13.000 6.086 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.831 4.574 0.253 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.837 6.150 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.597 4.171 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.801 4.928 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.750 3.438 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.068 4.288 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.300 3.548 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.051 5.118 -2.125 1.00 0.00 H new ATOM 390 N TRP A 26 -10.473 7.819 0.105 1.00 0.00 N ATOM 391 CA TRP A 26 -9.707 8.967 0.602 1.00 0.00 C ATOM 392 C TRP A 26 -9.343 8.754 2.051 1.00 0.00 C ATOM 393 O TRP A 26 -8.246 9.072 2.479 1.00 0.00 O ATOM 394 CB TRP A 26 -10.630 10.173 0.529 1.00 0.00 C ATOM 395 CG TRP A 26 -10.019 11.504 0.281 1.00 0.00 C ATOM 396 CD1 TRP A 26 -9.158 12.227 1.053 1.00 0.00 C ATOM 397 CD2 TRP A 26 -10.325 12.297 -0.843 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.907 13.439 0.443 1.00 0.00 N ATOM 399 CE2 TRP A 26 -9.619 13.497 -0.734 1.00 0.00 C ATOM 400 CE3 TRP A 26 -11.137 12.074 -1.943 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -9.716 14.494 -1.704 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -11.235 13.040 -2.901 1.00 0.00 C ATOM 403 CH2 TRP A 26 -10.528 14.247 -2.786 1.00 0.00 C ATOM 0 H TRP A 26 -11.374 8.076 -0.299 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.798 9.101 0.015 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.359 9.988 -0.260 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.182 10.228 1.467 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.739 11.902 1.994 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -8.295 14.171 0.804 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.685 11.148 -2.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -9.175 15.424 -1.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.866 12.874 -3.761 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.623 14.994 -3.560 1.00 0.00 H new ATOM 414 N GLU A 27 -10.306 8.263 2.793 1.00 0.00 N ATOM 415 CA GLU A 27 -10.110 7.848 4.168 1.00 0.00 C ATOM 416 C GLU A 27 -9.217 6.604 4.249 1.00 0.00 C ATOM 417 O GLU A 27 -8.583 6.344 5.270 1.00 0.00 O ATOM 418 CB GLU A 27 -11.469 7.572 4.793 1.00 0.00 C ATOM 419 CG GLU A 27 -11.441 7.382 6.296 1.00 0.00 C ATOM 420 CD GLU A 27 -12.829 7.235 6.879 1.00 0.00 C ATOM 421 OE1 GLU A 27 -13.322 6.094 6.968 1.00 0.00 O ATOM 422 OE2 GLU A 27 -13.436 8.261 7.253 1.00 0.00 O ATOM 0 H GLU A 27 -11.261 8.137 2.458 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.606 8.645 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.139 8.399 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.891 6.678 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.852 6.498 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.943 8.234 6.759 1.00 0.00 H new ATOM 429 N THR A 28 -9.252 5.793 3.197 1.00 0.00 N ATOM 430 CA THR A 28 -8.603 4.487 3.212 1.00 0.00 C ATOM 431 C THR A 28 -7.225 4.357 2.501 1.00 0.00 C ATOM 432 O THR A 28 -6.594 3.322 2.635 1.00 0.00 O ATOM 433 CB THR A 28 -9.561 3.406 2.704 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.866 3.617 3.263 1.00 0.00 O ATOM 435 CG2 THR A 28 -9.068 2.039 3.127 1.00 0.00 C ATOM 0 H THR A 28 -9.724 6.018 2.321 1.00 0.00 H new ATOM 0 HA THR A 28 -8.359 4.347 4.265 1.00 0.00 H new ATOM 0 HB THR A 28 -9.607 3.461 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.252 4.438 2.892 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.755 1.275 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.076 1.865 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.017 1.991 4.215 1.00 0.00 H new ATOM 443 N VAL A 29 -6.746 5.336 1.731 1.00 0.00 N ATOM 444 CA VAL A 29 -5.483 5.126 0.978 1.00 0.00 C ATOM 445 C VAL A 29 -4.465 6.262 1.139 1.00 0.00 C ATOM 446 O VAL A 29 -3.393 6.063 1.687 1.00 0.00 O ATOM 447 CB VAL A 29 -5.686 4.826 -0.534 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.449 3.542 -0.722 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.377 5.958 -1.270 1.00 0.00 C ATOM 0 H VAL A 29 -7.183 6.249 1.607 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.071 4.232 1.446 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.691 4.723 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.581 3.350 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.894 2.720 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.425 3.626 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.492 5.692 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.359 6.132 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.777 6.865 -1.188 1.00 0.00 H new ATOM 459 N SER A 30 -4.760 7.439 0.663 1.00 0.00 N ATOM 460 CA SER A 30 -3.787 8.514 0.763 1.00 0.00 C ATOM 461 C SER A 30 -4.119 9.380 1.944 1.00 0.00 C ATOM 462 O SER A 30 -4.501 10.542 1.808 1.00 0.00 O ATOM 463 CB SER A 30 -3.746 9.325 -0.518 1.00 0.00 C ATOM 464 OG SER A 30 -5.021 9.371 -1.131 1.00 0.00 O ATOM 0 H SER A 30 -5.641 7.685 0.211 1.00 0.00 H new ATOM 0 HA SER A 30 -2.795 8.087 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.406 10.338 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.023 8.887 -1.207 1.00 0.00 H new ATOM 0 HG SER A 30 -4.915 9.482 -2.099 1.00 0.00 H new ATOM 470 N THR A 31 -3.996 8.788 3.108 1.00 0.00 N ATOM 471 CA THR A 31 -4.534 9.374 4.294 1.00 0.00 C ATOM 472 C THR A 31 -3.805 8.868 5.513 1.00 0.00 C ATOM 473 O THR A 31 -2.791 8.183 5.400 1.00 0.00 O ATOM 474 CB THR A 31 -6.046 9.109 4.357 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.629 9.574 5.584 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.307 7.633 4.154 1.00 0.00 C ATOM 0 H THR A 31 -3.523 7.895 3.251 1.00 0.00 H new ATOM 0 HA THR A 31 -4.388 10.454 4.272 1.00 0.00 H new ATOM 0 HB THR A 31 -6.524 9.674 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.591 9.387 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.380 7.444 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.924 7.326 3.180 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.805 7.064 4.937 1.00 0.00 H new ATOM 484 N SER A 32 -4.293 9.269 6.660 1.00 0.00 N ATOM 485 CA SER A 32 -3.742 8.873 7.924 1.00 0.00 C ATOM 486 C SER A 32 -3.833 7.368 8.056 1.00 0.00 C ATOM 487 O SER A 32 -4.455 6.689 7.233 1.00 0.00 O ATOM 488 CB SER A 32 -4.481 9.522 9.082 1.00 0.00 C ATOM 489 OG SER A 32 -4.543 10.931 8.924 1.00 0.00 O ATOM 0 H SER A 32 -5.098 9.890 6.739 1.00 0.00 H new ATOM 0 HA SER A 32 -2.702 9.198 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.490 9.116 9.147 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.979 9.280 10.019 1.00 0.00 H new ATOM 0 HG SER A 32 -5.025 11.324 9.681 1.00 0.00 H new ATOM 495 N GLU A 33 -3.157 6.872 9.069 1.00 0.00 N ATOM 496 CA GLU A 33 -2.676 5.506 9.186 1.00 0.00 C ATOM 497 C GLU A 33 -3.746 4.433 8.934 1.00 0.00 C ATOM 498 O GLU A 33 -3.420 3.249 8.875 1.00 0.00 O ATOM 499 CB GLU A 33 -2.071 5.339 10.575 1.00 0.00 C ATOM 500 CG GLU A 33 -1.776 6.661 11.279 1.00 0.00 C ATOM 501 CD GLU A 33 -2.910 7.097 12.187 1.00 0.00 C ATOM 502 OE1 GLU A 33 -4.003 7.404 11.672 1.00 0.00 O ATOM 503 OE2 GLU A 33 -2.718 7.132 13.417 1.00 0.00 O ATOM 0 H GLU A 33 -2.913 7.440 9.880 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.935 5.351 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.754 4.754 11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.147 4.767 10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.862 6.562 11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.594 7.434 10.533 1.00 0.00 H new ATOM 510 N GLY A 34 -5.003 4.834 8.800 1.00 0.00 N ATOM 511 CA GLY A 34 -6.052 3.883 8.490 1.00 0.00 C ATOM 512 C GLY A 34 -5.793 3.144 7.191 1.00 0.00 C ATOM 513 O GLY A 34 -6.108 1.959 7.085 1.00 0.00 O ATOM 0 H GLY A 34 -5.315 5.800 8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.139 3.163 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.006 4.406 8.424 1.00 0.00 H new ATOM 517 N ILE A 35 -5.215 3.827 6.196 1.00 0.00 N ATOM 518 CA ILE A 35 -4.833 3.172 4.971 1.00 0.00 C ATOM 519 C ILE A 35 -3.783 2.089 5.201 1.00 0.00 C ATOM 520 O ILE A 35 -3.823 1.015 4.610 1.00 0.00 O ATOM 521 CB ILE A 35 -4.324 4.185 3.932 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.497 3.488 2.847 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.539 5.326 4.571 1.00 0.00 C ATOM 524 CD1 ILE A 35 -2.007 3.590 3.076 1.00 0.00 C ATOM 0 H ILE A 35 -5.009 4.825 6.228 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.731 2.691 4.583 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.202 4.629 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.780 2.436 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.740 3.924 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.201 6.014 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.179 5.858 5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.675 4.922 5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.479 3.076 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.712 4.639 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.753 3.128 4.030 1.00 0.00 H new ATOM 536 N ALA A 36 -2.853 2.384 6.070 1.00 0.00 N ATOM 537 CA ALA A 36 -1.757 1.465 6.369 1.00 0.00 C ATOM 538 C ALA A 36 -2.279 0.089 6.810 1.00 0.00 C ATOM 539 O ALA A 36 -1.650 -0.939 6.551 1.00 0.00 O ATOM 540 CB ALA A 36 -0.846 2.063 7.429 1.00 0.00 C ATOM 0 H ALA A 36 -2.822 3.259 6.594 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.182 1.317 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.033 1.369 7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.433 3.004 7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.417 2.245 8.339 1.00 0.00 H new ATOM 689 N GLN A 45 0.553 8.572 6.431 1.00 0.00 N ATOM 690 CA GLN A 45 -0.305 9.750 6.469 1.00 0.00 C ATOM 691 C GLN A 45 0.028 10.520 5.210 1.00 0.00 C ATOM 692 O GLN A 45 1.197 10.523 4.825 1.00 0.00 O ATOM 693 CB GLN A 45 0.018 10.576 7.720 1.00 0.00 C ATOM 694 CG GLN A 45 -0.136 9.785 9.010 1.00 0.00 C ATOM 695 CD GLN A 45 0.556 10.431 10.192 1.00 0.00 C ATOM 696 OE1 GLN A 45 0.658 11.652 10.285 1.00 0.00 O ATOM 697 NE2 GLN A 45 1.062 9.607 11.094 1.00 0.00 N ATOM 0 HA GLN A 45 -1.365 9.501 6.513 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.040 10.949 7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.637 11.446 7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.197 9.672 9.235 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.267 8.783 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.956 8.599 10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.558 9.979 11.903 1.00 0.00 H new ATOM 706 N LEU A 46 -0.926 11.163 4.541 1.00 0.00 N ATOM 707 CA LEU A 46 -0.583 11.719 3.243 1.00 0.00 C ATOM 708 C LEU A 46 0.303 12.945 3.419 1.00 0.00 C ATOM 709 O LEU A 46 -0.090 14.007 3.901 1.00 0.00 O ATOM 710 CB LEU A 46 -1.813 11.945 2.323 1.00 0.00 C ATOM 711 CG LEU A 46 -2.766 13.135 2.576 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.143 13.269 4.044 1.00 0.00 C ATOM 713 CD2 LEU A 46 -2.210 14.439 2.017 1.00 0.00 C ATOM 0 H LEU A 46 -1.886 11.305 4.854 1.00 0.00 H new ATOM 0 HA LEU A 46 0.001 10.976 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.440 12.041 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.414 11.036 2.359 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.685 12.917 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.814 14.119 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.643 12.359 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.243 13.425 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.912 15.249 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.255 14.661 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.066 14.341 0.941 1.00 0.00 H new ATOM 725 N LYS A 47 1.550 12.683 3.126 1.00 0.00 N ATOM 726 CA LYS A 47 2.644 13.615 3.220 1.00 0.00 C ATOM 727 C LYS A 47 3.445 13.493 1.954 1.00 0.00 C ATOM 728 O LYS A 47 3.298 12.507 1.282 1.00 0.00 O ATOM 729 CB LYS A 47 3.479 13.315 4.451 1.00 0.00 C ATOM 730 CG LYS A 47 2.999 14.081 5.667 1.00 0.00 C ATOM 731 CD LYS A 47 3.640 13.589 6.955 1.00 0.00 C ATOM 732 CE LYS A 47 3.143 14.387 8.150 1.00 0.00 C ATOM 733 NZ LYS A 47 3.697 13.886 9.436 1.00 0.00 N ATOM 0 H LYS A 47 1.846 11.764 2.798 1.00 0.00 H new ATOM 0 HA LYS A 47 2.286 14.639 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.444 12.246 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.521 13.567 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.221 15.140 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.916 13.989 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.412 12.533 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.724 13.674 6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.417 15.434 8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.054 14.344 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.329 14.462 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.415 12.894 9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.735 13.951 9.416 1.00 0.00 H new ATOM 747 N GLU A 48 4.138 14.521 1.534 1.00 0.00 N ATOM 748 CA GLU A 48 5.009 14.390 0.374 1.00 0.00 C ATOM 749 C GLU A 48 6.453 14.761 0.677 1.00 0.00 C ATOM 750 O GLU A 48 6.725 15.816 1.255 1.00 0.00 O ATOM 751 CB GLU A 48 4.476 15.177 -0.802 1.00 0.00 C ATOM 752 CG GLU A 48 3.431 14.425 -1.596 1.00 0.00 C ATOM 753 CD GLU A 48 2.748 15.325 -2.599 1.00 0.00 C ATOM 754 OE1 GLU A 48 2.039 16.262 -2.181 1.00 0.00 O ATOM 755 OE2 GLU A 48 2.947 15.118 -3.814 1.00 0.00 O ATOM 0 H GLU A 48 4.124 15.446 1.963 1.00 0.00 H new ATOM 0 HA GLU A 48 5.011 13.334 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.046 16.111 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.304 15.440 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.899 13.588 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.689 14.005 -0.917 1.00 0.00 H new ATOM 762 N GLY A 49 7.367 13.888 0.268 1.00 0.00 N ATOM 763 CA GLY A 49 8.798 14.124 0.432 1.00 0.00 C ATOM 764 C GLY A 49 9.163 14.379 1.874 1.00 0.00 C ATOM 765 O GLY A 49 10.049 15.173 2.188 1.00 0.00 O ATOM 0 H GLY A 49 7.140 13.002 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.353 13.261 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.097 14.978 -0.175 1.00 0.00 H new ATOM 769 N GLN A 50 8.448 13.699 2.734 1.00 0.00 N ATOM 770 CA GLN A 50 8.504 13.885 4.151 1.00 0.00 C ATOM 771 C GLN A 50 9.231 12.719 4.769 1.00 0.00 C ATOM 772 O GLN A 50 9.569 11.762 4.080 1.00 0.00 O ATOM 773 CB GLN A 50 7.072 13.929 4.669 1.00 0.00 C ATOM 774 CG GLN A 50 6.547 12.562 5.043 1.00 0.00 C ATOM 775 CD GLN A 50 6.523 11.635 3.861 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.254 12.052 2.741 1.00 0.00 O ATOM 777 NE2 GLN A 50 6.891 10.394 4.085 1.00 0.00 N ATOM 0 H GLN A 50 7.788 12.975 2.450 1.00 0.00 H new ATOM 0 HA GLN A 50 9.027 14.807 4.404 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.024 14.583 5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.427 14.366 3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.171 12.135 5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.541 12.657 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.106 10.089 5.034 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.962 9.735 3.310 1.00 0.00 H new ATOM 786 N GLU A 51 9.489 12.798 6.042 1.00 0.00 N ATOM 787 CA GLU A 51 9.710 11.589 6.781 1.00 0.00 C ATOM 788 C GLU A 51 8.650 11.471 7.866 1.00 0.00 C ATOM 789 O GLU A 51 8.418 12.419 8.616 1.00 0.00 O ATOM 790 CB GLU A 51 11.109 11.556 7.379 1.00 0.00 C ATOM 791 CG GLU A 51 12.202 11.415 6.336 1.00 0.00 C ATOM 792 CD GLU A 51 13.221 12.526 6.414 1.00 0.00 C ATOM 793 OE1 GLU A 51 14.101 12.472 7.296 1.00 0.00 O ATOM 794 OE2 GLU A 51 13.150 13.458 5.592 1.00 0.00 O ATOM 0 H GLU A 51 9.551 13.663 6.579 1.00 0.00 H new ATOM 0 HA GLU A 51 9.632 10.738 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.275 12.470 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.177 10.726 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.704 10.456 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.753 11.407 5.343 1.00 0.00 H new ATOM 966 N CYS A 63 10.186 6.536 6.399 1.00 0.00 N ATOM 967 CA CYS A 63 9.534 6.401 5.137 1.00 0.00 C ATOM 968 C CYS A 63 9.227 7.786 4.573 1.00 0.00 C ATOM 969 O CYS A 63 9.001 8.736 5.330 1.00 0.00 O ATOM 970 CB CYS A 63 8.290 5.556 5.374 1.00 0.00 C ATOM 971 SG CYS A 63 7.548 5.806 6.997 1.00 0.00 S ATOM 0 HA CYS A 63 10.157 5.905 4.393 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.552 5.788 4.606 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.549 4.503 5.260 1.00 0.00 H new ATOM 0 HG CYS A 63 8.418 6.355 7.792 1.00 0.00 H new ATOM 977 N LYS A 64 9.220 7.901 3.253 1.00 0.00 N ATOM 978 CA LYS A 64 9.190 9.197 2.593 1.00 0.00 C ATOM 979 C LYS A 64 8.270 9.120 1.394 1.00 0.00 C ATOM 980 O LYS A 64 8.364 8.183 0.607 1.00 0.00 O ATOM 981 CB LYS A 64 10.607 9.585 2.145 1.00 0.00 C ATOM 982 CG LYS A 64 11.254 8.549 1.236 1.00 0.00 C ATOM 983 CD LYS A 64 12.631 8.977 0.757 1.00 0.00 C ATOM 984 CE LYS A 64 13.193 7.980 -0.243 1.00 0.00 C ATOM 985 NZ LYS A 64 13.380 6.631 0.357 1.00 0.00 N ATOM 0 H LYS A 64 9.235 7.106 2.614 1.00 0.00 H new ATOM 0 HA LYS A 64 8.822 9.954 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.567 10.542 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.233 9.728 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.336 7.602 1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.611 8.374 0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.570 9.964 0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.306 9.063 1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.521 7.906 -1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.149 8.344 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.356 6.311 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.196 6.677 1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.719 5.960 -0.084 1.00 0.00 H new ATOM 999 N VAL A 65 7.359 10.063 1.246 1.00 0.00 N ATOM 1000 CA VAL A 65 6.446 9.980 0.135 1.00 0.00 C ATOM 1001 C VAL A 65 7.077 10.538 -1.127 1.00 0.00 C ATOM 1002 O VAL A 65 7.613 11.640 -1.140 1.00 0.00 O ATOM 1003 CB VAL A 65 5.128 10.696 0.420 1.00 0.00 C ATOM 1004 CG1 VAL A 65 4.299 10.835 -0.839 1.00 0.00 C ATOM 1005 CG2 VAL A 65 4.329 9.953 1.475 1.00 0.00 C ATOM 0 H VAL A 65 7.236 10.868 1.861 1.00 0.00 H new ATOM 0 HA VAL A 65 6.226 8.923 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 65 5.370 11.692 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.366 11.349 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.855 11.411 -1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.078 9.846 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.394 10.481 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.112 8.944 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.906 9.899 2.398 1.00 0.00 H new ATOM 1015 N LEU A 66 7.019 9.747 -2.175 1.00 0.00 N ATOM 1016 CA LEU A 66 7.477 10.154 -3.483 1.00 0.00 C ATOM 1017 C LEU A 66 6.558 11.234 -4.040 1.00 0.00 C ATOM 1018 O LEU A 66 7.009 12.266 -4.536 1.00 0.00 O ATOM 1019 CB LEU A 66 7.497 8.933 -4.412 1.00 0.00 C ATOM 1020 CG LEU A 66 8.810 8.149 -4.436 1.00 0.00 C ATOM 1021 CD1 LEU A 66 9.962 9.042 -4.869 1.00 0.00 C ATOM 1022 CD2 LEU A 66 9.086 7.541 -3.073 1.00 0.00 C ATOM 0 H LEU A 66 6.650 8.797 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 66 8.485 10.563 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.695 8.257 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.273 9.265 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 66 8.716 7.342 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.886 8.464 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.766 9.430 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.061 9.873 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.024 6.986 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.159 8.334 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.274 6.866 -2.805 1.00 0.00 H new ATOM 1034 N ALA A 67 5.266 10.969 -3.963 1.00 0.00 N ATOM 1035 CA ALA A 67 4.250 11.861 -4.464 1.00 0.00 C ATOM 1036 C ALA A 67 2.939 11.530 -3.786 1.00 0.00 C ATOM 1037 O ALA A 67 2.685 10.371 -3.484 1.00 0.00 O ATOM 1038 CB ALA A 67 4.122 11.714 -5.963 1.00 0.00 C ATOM 0 H ALA A 67 4.894 10.116 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 67 4.523 12.894 -4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.352 12.392 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.074 11.956 -6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.847 10.687 -6.206 1.00 0.00 H new ATOM 1044 N VAL A 68 2.109 12.504 -3.530 1.00 0.00 N ATOM 1045 CA VAL A 68 0.802 12.191 -3.010 1.00 0.00 C ATOM 1046 C VAL A 68 -0.262 13.103 -3.596 1.00 0.00 C ATOM 1047 O VAL A 68 -0.097 14.319 -3.688 1.00 0.00 O ATOM 1048 CB VAL A 68 0.728 12.156 -1.461 1.00 0.00 C ATOM 1049 CG1 VAL A 68 0.349 13.500 -0.852 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.253 11.076 -1.052 1.00 0.00 C ATOM 0 H VAL A 68 2.304 13.496 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 68 0.598 11.170 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 68 1.722 11.931 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.314 13.411 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.091 14.248 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.630 13.804 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.318 11.037 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.236 11.301 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.088 10.112 -1.430 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.334 12.479 -4.034 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.410 13.145 -4.730 1.00 0.00 C ATOM 1062 C GLN A 69 -3.732 12.565 -4.286 1.00 0.00 C ATOM 1063 O GLN A 69 -3.880 11.338 -4.205 1.00 0.00 O ATOM 1064 CB GLN A 69 -2.234 12.938 -6.223 1.00 0.00 C ATOM 1065 CG GLN A 69 -1.100 13.748 -6.832 1.00 0.00 C ATOM 1066 CD GLN A 69 -1.306 15.248 -6.720 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -2.434 15.742 -6.737 1.00 0.00 O ATOM 1068 NE2 GLN A 69 -0.214 15.987 -6.600 1.00 0.00 N ATOM 0 H GLN A 69 -1.483 11.477 -3.914 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.395 14.211 -4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.054 11.880 -6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.164 13.199 -6.727 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.165 13.479 -6.340 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.995 13.480 -7.883 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.704 15.543 -6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.291 17.001 -6.518 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.709 13.438 -4.095 1.00 0.00 N ATOM 1078 CA ALA A 70 -5.934 13.068 -3.427 1.00 0.00 C ATOM 1079 C ALA A 70 -6.683 12.065 -4.267 1.00 0.00 C ATOM 1080 O ALA A 70 -7.009 12.342 -5.422 1.00 0.00 O ATOM 1081 CB ALA A 70 -6.800 14.284 -3.173 1.00 0.00 C ATOM 0 H ALA A 70 -4.671 14.411 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.685 12.623 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.717 13.979 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.259 14.991 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.049 14.758 -4.122 1.00 0.00 H new ATOM 1087 N PRO A 71 -7.049 10.940 -3.635 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.328 9.664 -4.256 1.00 0.00 C ATOM 1089 C PRO A 71 -7.261 9.640 -5.773 1.00 0.00 C ATOM 1090 O PRO A 71 -8.245 9.399 -6.464 1.00 0.00 O ATOM 1091 CB PRO A 71 -8.702 9.418 -3.686 1.00 0.00 C ATOM 1092 CG PRO A 71 -8.519 9.803 -2.251 1.00 0.00 C ATOM 1093 CD PRO A 71 -7.397 10.832 -2.220 1.00 0.00 C ATOM 0 HA PRO A 71 -6.588 8.892 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.462 10.025 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.008 8.377 -3.793 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.439 10.219 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.265 8.933 -1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.728 11.785 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.553 10.498 -1.616 1.00 0.00 H new ATOM 1101 N THR A 72 -6.069 9.922 -6.266 1.00 0.00 N ATOM 1102 CA THR A 72 -5.725 9.678 -7.641 1.00 0.00 C ATOM 1103 C THR A 72 -4.408 8.924 -7.684 1.00 0.00 C ATOM 1104 O THR A 72 -4.323 7.848 -8.264 1.00 0.00 O ATOM 1105 CB THR A 72 -5.611 10.982 -8.455 1.00 0.00 C ATOM 1106 OG1 THR A 72 -4.762 11.919 -7.776 1.00 0.00 O ATOM 1107 CG2 THR A 72 -6.981 11.602 -8.688 1.00 0.00 C ATOM 0 H THR A 72 -5.313 10.329 -5.715 1.00 0.00 H new ATOM 0 HA THR A 72 -6.522 9.089 -8.095 1.00 0.00 H new ATOM 0 HB THR A 72 -5.174 10.737 -9.423 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.212 12.242 -6.967 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.871 12.521 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.609 10.901 -9.238 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.446 11.829 -7.728 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.399 9.464 -7.003 1.00 0.00 N ATOM 1116 CA GLU A 73 -2.060 8.881 -7.031 1.00 0.00 C ATOM 1117 C GLU A 73 -1.423 8.987 -5.666 1.00 0.00 C ATOM 1118 O GLU A 73 -1.502 10.014 -5.006 1.00 0.00 O ATOM 1119 CB GLU A 73 -1.182 9.598 -8.055 1.00 0.00 C ATOM 1120 CG GLU A 73 0.199 8.979 -8.226 1.00 0.00 C ATOM 1121 CD GLU A 73 1.082 9.798 -9.144 1.00 0.00 C ATOM 1122 OE1 GLU A 73 1.492 10.909 -8.749 1.00 0.00 O ATOM 1123 OE2 GLU A 73 1.355 9.342 -10.272 1.00 0.00 O ATOM 0 H GLU A 73 -3.483 10.302 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.149 7.832 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.691 9.598 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.068 10.640 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.678 8.887 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.096 7.971 -8.627 1.00 0.00 H new ATOM 1130 N LEU A 74 -0.814 7.916 -5.243 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.083 7.898 -4.012 1.00 0.00 C ATOM 1132 C LEU A 74 1.212 7.176 -4.259 1.00 0.00 C ATOM 1133 O LEU A 74 1.193 6.074 -4.735 1.00 0.00 O ATOM 1134 CB LEU A 74 -0.943 7.161 -2.984 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.396 7.008 -1.586 1.00 0.00 C ATOM 1136 CD1 LEU A 74 -1.534 6.735 -0.639 1.00 0.00 C ATOM 1137 CD2 LEU A 74 0.609 5.889 -1.497 1.00 0.00 C ATOM 0 H LEU A 74 -0.812 7.028 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 74 0.140 8.899 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.899 7.680 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.149 6.164 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 74 0.112 7.934 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.146 6.623 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.239 7.566 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.042 5.818 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.978 5.812 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.135 4.950 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.442 6.094 -2.169 1.00 0.00 H new ATOM 1149 N SER A 75 2.321 7.782 -3.949 1.00 0.00 N ATOM 1150 CA SER A 75 3.594 7.091 -4.053 1.00 0.00 C ATOM 1151 C SER A 75 4.439 7.410 -2.851 1.00 0.00 C ATOM 1152 O SER A 75 4.684 8.568 -2.564 1.00 0.00 O ATOM 1153 CB SER A 75 4.332 7.517 -5.315 1.00 0.00 C ATOM 1154 OG SER A 75 3.619 7.159 -6.481 1.00 0.00 O ATOM 0 H SER A 75 2.381 8.747 -3.623 1.00 0.00 H new ATOM 0 HA SER A 75 3.406 6.018 -4.100 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.487 8.596 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.318 7.053 -5.334 1.00 0.00 H new ATOM 0 HG SER A 75 4.120 7.448 -7.272 1.00 0.00 H new ATOM 1160 N PHE A 76 4.892 6.401 -2.162 1.00 0.00 N ATOM 1161 CA PHE A 76 5.713 6.603 -0.993 1.00 0.00 C ATOM 1162 C PHE A 76 6.654 5.437 -0.809 1.00 0.00 C ATOM 1163 O PHE A 76 6.399 4.354 -1.326 1.00 0.00 O ATOM 1164 CB PHE A 76 4.849 6.926 0.227 1.00 0.00 C ATOM 1165 CG PHE A 76 4.204 5.768 0.932 1.00 0.00 C ATOM 1166 CD1 PHE A 76 3.070 5.157 0.422 1.00 0.00 C ATOM 1167 CD2 PHE A 76 4.735 5.302 2.123 1.00 0.00 C ATOM 1168 CE1 PHE A 76 2.481 4.097 1.088 1.00 0.00 C ATOM 1169 CE2 PHE A 76 4.154 4.245 2.791 1.00 0.00 C ATOM 1170 CZ PHE A 76 3.025 3.639 2.272 1.00 0.00 C ATOM 0 H PHE A 76 4.708 5.424 -2.388 1.00 0.00 H new ATOM 0 HA PHE A 76 6.350 7.477 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.468 7.460 0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.062 7.612 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.642 5.511 -0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.616 5.773 2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.597 3.628 0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.580 3.891 3.718 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.569 2.809 2.791 1.00 0.00 H new ATOM 1180 N GLU A 77 7.735 5.651 -0.094 1.00 0.00 N ATOM 1181 CA GLU A 77 8.712 4.599 0.100 1.00 0.00 C ATOM 1182 C GLU A 77 8.783 4.251 1.559 1.00 0.00 C ATOM 1183 O GLU A 77 8.893 5.124 2.418 1.00 0.00 O ATOM 1184 CB GLU A 77 10.107 5.035 -0.348 1.00 0.00 C ATOM 1185 CG GLU A 77 10.422 4.795 -1.813 1.00 0.00 C ATOM 1186 CD GLU A 77 11.855 5.166 -2.141 1.00 0.00 C ATOM 1187 OE1 GLU A 77 12.768 4.716 -1.410 1.00 0.00 O ATOM 1188 OE2 GLU A 77 12.074 5.937 -3.096 1.00 0.00 O ATOM 0 H GLU A 77 7.961 6.536 0.360 1.00 0.00 H new ATOM 0 HA GLU A 77 8.399 3.743 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.222 6.098 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.846 4.509 0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.252 3.746 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.743 5.380 -2.433 1.00 0.00 H new ATOM 1307 N VAL A 85 5.887 2.262 -3.249 1.00 0.00 N ATOM 1308 CA VAL A 85 4.553 1.737 -3.296 1.00 0.00 C ATOM 1309 C VAL A 85 3.569 2.837 -3.672 1.00 0.00 C ATOM 1310 O VAL A 85 3.492 3.878 -3.019 1.00 0.00 O ATOM 1311 CB VAL A 85 4.186 1.065 -1.951 1.00 0.00 C ATOM 1312 CG1 VAL A 85 4.934 -0.242 -1.811 1.00 0.00 C ATOM 1313 CG2 VAL A 85 4.512 1.960 -0.764 1.00 0.00 C ATOM 0 HA VAL A 85 4.498 0.968 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 85 3.111 0.885 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.672 -0.711 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.663 -0.906 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.007 -0.052 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.239 1.452 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.580 2.180 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.951 2.891 -0.845 1.00 0.00 H new ATOM 1323 N THR A 86 2.839 2.600 -4.746 1.00 0.00 N ATOM 1324 CA THR A 86 1.989 3.610 -5.332 1.00 0.00 C ATOM 1325 C THR A 86 0.532 3.153 -5.375 1.00 0.00 C ATOM 1326 O THR A 86 0.233 2.019 -5.700 1.00 0.00 O ATOM 1327 CB THR A 86 2.478 3.963 -6.759 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.825 4.454 -6.687 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.580 5.011 -7.431 1.00 0.00 C ATOM 0 H THR A 86 2.821 1.704 -5.233 1.00 0.00 H new ATOM 0 HA THR A 86 2.046 4.499 -4.705 1.00 0.00 H new ATOM 0 HB THR A 86 2.435 3.058 -7.365 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.821 5.431 -6.757 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.959 5.229 -8.429 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.563 4.625 -7.505 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.579 5.924 -6.836 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.378 4.032 -5.023 1.00 0.00 N ATOM 1338 CA PHE A 87 -1.785 3.718 -5.108 1.00 0.00 C ATOM 1339 C PHE A 87 -2.418 4.571 -6.196 1.00 0.00 C ATOM 1340 O PHE A 87 -2.195 5.778 -6.253 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.471 3.945 -3.744 1.00 0.00 C ATOM 1342 CG PHE A 87 -1.907 3.067 -2.642 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.336 1.836 -2.933 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.911 3.490 -1.323 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -0.789 1.047 -1.933 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -1.358 2.711 -0.326 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.799 1.484 -0.636 1.00 0.00 C ATOM 0 H PHE A 87 -0.169 4.968 -4.676 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.914 2.667 -5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.362 4.991 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.539 3.751 -3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.318 1.487 -3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.353 4.443 -1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.355 0.088 -2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.362 3.060 0.696 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.371 0.872 0.144 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.184 3.944 -7.069 1.00 0.00 N ATOM 1358 CA GLN A 88 -3.903 4.663 -8.101 1.00 0.00 C ATOM 1359 C GLN A 88 -5.394 4.486 -7.855 1.00 0.00 C ATOM 1360 O GLN A 88 -5.902 3.368 -7.803 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.511 4.113 -9.465 1.00 0.00 C ATOM 1362 CG GLN A 88 -2.344 4.828 -10.104 1.00 0.00 C ATOM 1363 CD GLN A 88 -2.726 6.111 -10.820 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -2.569 7.235 -10.155 1.00 0.00 O flip ATOM 1365 NE2 GLN A 88 -3.123 6.086 -11.986 1.00 0.00 N flip ATOM 0 H GLN A 88 -3.324 2.934 -7.083 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.657 5.724 -8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.264 3.056 -9.362 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.371 4.176 -10.131 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.607 5.058 -9.335 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.864 4.156 -10.815 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.232 5.194 -12.469 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.343 6.957 -12.469 1.00 0.00 H new ATOM 1374 N LEU A 89 -6.086 5.586 -7.689 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.491 5.546 -7.324 1.00 0.00 C ATOM 1376 C LEU A 89 -8.332 6.343 -8.322 1.00 0.00 C ATOM 1377 O LEU A 89 -7.893 7.373 -8.836 1.00 0.00 O ATOM 1378 CB LEU A 89 -7.672 5.970 -5.847 1.00 0.00 C ATOM 1379 CG LEU A 89 -9.098 5.877 -5.258 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -9.980 7.030 -5.704 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -9.746 4.552 -5.629 1.00 0.00 C ATOM 0 H LEU A 89 -5.703 6.525 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.864 4.524 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.012 5.355 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.331 7.000 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.999 5.938 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.972 6.921 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.540 7.972 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.062 7.026 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.749 4.506 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.807 4.468 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.147 3.731 -5.234 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.523 5.846 -8.617 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.407 6.488 -9.575 1.00 0.00 C ATOM 1395 C GLU A 90 -11.614 7.076 -8.878 1.00 0.00 C ATOM 1396 O GLU A 90 -12.281 6.393 -8.095 1.00 0.00 O ATOM 1397 CB GLU A 90 -10.905 5.476 -10.599 1.00 0.00 C ATOM 1398 CG GLU A 90 -12.171 5.920 -11.320 1.00 0.00 C ATOM 1399 CD GLU A 90 -11.913 7.026 -12.325 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -11.406 8.099 -11.932 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -12.209 6.823 -13.521 1.00 0.00 O ATOM 0 H GLU A 90 -9.901 4.994 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.839 7.277 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.120 5.298 -11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.095 4.527 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.612 5.065 -11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.901 6.264 -10.587 1.00 0.00 H new ATOM 1408 N ASP A 91 -11.929 8.310 -9.248 1.00 0.00 N ATOM 1409 CA ASP A 91 -13.049 9.028 -8.655 1.00 0.00 C ATOM 1410 C ASP A 91 -14.263 8.822 -9.468 1.00 0.00 C ATOM 1411 O ASP A 91 -14.367 9.282 -10.606 1.00 0.00 O ATOM 1412 CB ASP A 91 -12.868 10.540 -8.537 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.191 11.284 -8.443 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.860 11.196 -7.399 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -14.561 11.973 -9.416 1.00 0.00 O ATOM 0 H ASP A 91 -11.422 8.837 -9.959 1.00 0.00 H new ATOM 0 HA ASP A 91 -13.123 8.619 -7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.268 10.762 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.312 10.904 -9.401 1.00 0.00 H new ATOM 1461 N LYS A 95 -18.802 4.490 -7.759 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.961 3.767 -6.854 1.00 0.00 C ATOM 1463 C LYS A 95 -16.552 3.836 -7.430 1.00 0.00 C ATOM 1464 O LYS A 95 -16.364 4.354 -8.518 1.00 0.00 O ATOM 1465 CB LYS A 95 -18.439 2.318 -6.828 1.00 0.00 C ATOM 1466 CG LYS A 95 -18.584 1.710 -8.228 1.00 0.00 C ATOM 1467 CD LYS A 95 -17.339 0.952 -8.665 1.00 0.00 C ATOM 1468 CE LYS A 95 -16.513 1.721 -9.696 1.00 0.00 C ATOM 1469 NZ LYS A 95 -17.055 1.610 -11.076 1.00 0.00 N ATOM 0 HA LYS A 95 -17.985 4.173 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.736 1.719 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.399 2.267 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -19.440 1.035 -8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.793 2.503 -8.945 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.720 0.743 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.633 -0.010 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.474 2.772 -9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.489 1.349 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.454 2.151 -11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -17.068 0.611 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.023 1.990 -11.101 1.00 0.00 H new ATOM 1483 N THR A 96 -15.563 3.319 -6.748 1.00 0.00 N ATOM 1484 CA THR A 96 -14.211 3.766 -6.969 1.00 0.00 C ATOM 1485 C THR A 96 -13.391 2.702 -7.657 1.00 0.00 C ATOM 1486 O THR A 96 -13.467 1.520 -7.330 1.00 0.00 O ATOM 1487 CB THR A 96 -13.568 4.108 -5.615 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.356 3.558 -4.563 1.00 0.00 O ATOM 1489 CG2 THR A 96 -13.438 5.610 -5.413 1.00 0.00 C ATOM 0 H THR A 96 -15.666 2.593 -6.039 1.00 0.00 H new ATOM 0 HA THR A 96 -14.237 4.646 -7.611 1.00 0.00 H new ATOM 0 HB THR A 96 -12.566 3.679 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 96 -15.172 4.089 -4.454 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.979 5.808 -4.444 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.815 6.031 -6.203 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.426 6.069 -5.447 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.614 3.119 -8.630 1.00 0.00 N ATOM 1498 CA GLY A 97 -11.831 2.158 -9.366 1.00 0.00 C ATOM 1499 C GLY A 97 -10.433 2.107 -8.818 1.00 0.00 C ATOM 1500 O GLY A 97 -9.705 3.091 -8.900 1.00 0.00 O ATOM 0 H GLY A 97 -12.509 4.090 -8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.293 1.173 -9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.807 2.428 -10.422 1.00 0.00 H new ATOM 1504 N PHE A 98 -10.036 0.985 -8.235 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.746 0.956 -7.589 1.00 0.00 C ATOM 1506 C PHE A 98 -7.717 0.192 -8.399 1.00 0.00 C ATOM 1507 O PHE A 98 -7.927 -0.953 -8.801 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.788 0.379 -6.178 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.587 0.837 -5.406 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.486 2.162 -5.016 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.551 -0.025 -5.106 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.381 2.624 -4.337 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.440 0.428 -4.421 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.354 1.753 -4.035 1.00 0.00 C ATOM 0 H PHE A 98 -10.570 0.117 -8.199 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.451 2.003 -7.520 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.700 0.697 -5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.810 -0.710 -6.221 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.289 2.846 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.609 -1.060 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.318 3.661 -4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.637 -0.255 -4.186 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.485 2.105 -3.499 1.00 0.00 H new ATOM 1524 N THR A 99 -6.605 0.847 -8.637 1.00 0.00 N ATOM 1525 CA THR A 99 -5.459 0.217 -9.248 1.00 0.00 C ATOM 1526 C THR A 99 -4.274 0.403 -8.328 1.00 0.00 C ATOM 1527 O THR A 99 -3.857 1.522 -8.069 1.00 0.00 O ATOM 1528 CB THR A 99 -5.161 0.815 -10.635 1.00 0.00 C ATOM 1529 OG1 THR A 99 -6.356 0.796 -11.429 1.00 0.00 O ATOM 1530 CG2 THR A 99 -4.071 0.027 -11.341 1.00 0.00 C ATOM 0 H THR A 99 -6.470 1.833 -8.412 1.00 0.00 H new ATOM 0 HA THR A 99 -5.664 -0.843 -9.395 1.00 0.00 H new ATOM 0 HB THR A 99 -4.817 1.841 -10.504 1.00 0.00 H new ATOM 0 HG1 THR A 99 -6.168 1.178 -12.312 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.878 0.468 -12.319 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.159 0.053 -10.745 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.393 -1.007 -11.467 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.727 -0.664 -7.813 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.658 -0.517 -6.872 1.00 0.00 C ATOM 1540 C LEU A 100 -1.337 -0.884 -7.490 1.00 0.00 C ATOM 1541 O LEU A 100 -1.217 -1.876 -8.194 1.00 0.00 O ATOM 1542 CB LEU A 100 -2.903 -1.345 -5.616 1.00 0.00 C ATOM 1543 CG LEU A 100 -2.124 -0.861 -4.405 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -2.795 -1.308 -3.136 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -0.690 -1.344 -4.454 1.00 0.00 C ATOM 0 H LEU A 100 -3.998 -1.624 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.624 0.534 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.968 -1.329 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.637 -2.383 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.110 0.229 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.224 -0.953 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.804 -0.899 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.844 -2.397 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.154 -0.984 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.673 -2.434 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.208 -0.963 -5.354 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.349 -0.065 -7.214 1.00 0.00 N ATOM 1558 CA ILE A 101 0.990 -0.309 -7.669 1.00 0.00 C ATOM 1559 C ILE A 101 1.882 -0.569 -6.460 1.00 0.00 C ATOM 1560 O ILE A 101 1.965 0.229 -5.539 1.00 0.00 O ATOM 1561 CB ILE A 101 1.563 0.916 -8.426 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.514 1.579 -9.353 1.00 0.00 C ATOM 1563 CG2 ILE A 101 2.803 0.520 -9.224 1.00 0.00 C ATOM 1564 CD1 ILE A 101 -0.439 2.514 -8.649 1.00 0.00 C ATOM 0 H ILE A 101 -0.456 0.789 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 101 0.966 -1.165 -8.343 1.00 0.00 H new ATOM 0 HB ILE A 101 1.842 1.655 -7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.036 2.132 -10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.062 0.797 -9.847 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.192 1.393 -9.749 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.565 0.135 -8.546 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.539 -0.251 -9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.138 2.933 -9.372 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.991 1.964 -7.887 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.124 3.321 -8.179 1.00 0.00 H new ATOM 1576 N HIS A 102 2.533 -1.683 -6.438 1.00 0.00 N ATOM 1577 CA HIS A 102 3.587 -1.898 -5.485 1.00 0.00 C ATOM 1578 C HIS A 102 4.833 -2.109 -6.289 1.00 0.00 C ATOM 1579 O HIS A 102 4.970 -3.098 -7.001 1.00 0.00 O ATOM 1580 CB HIS A 102 3.255 -3.092 -4.589 1.00 0.00 C ATOM 1581 CG HIS A 102 2.762 -2.696 -3.229 1.00 0.00 C ATOM 1582 ND1 HIS A 102 3.012 -3.451 -2.098 1.00 0.00 N ATOM 1583 CD2 HIS A 102 2.059 -1.602 -2.807 1.00 0.00 C ATOM 1584 CE1 HIS A 102 2.505 -2.839 -1.043 1.00 0.00 C ATOM 1585 NE2 HIS A 102 1.923 -1.720 -1.444 1.00 0.00 N ATOM 0 H HIS A 102 2.358 -2.466 -7.068 1.00 0.00 H new ATOM 0 HA HIS A 102 3.717 -1.051 -4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.497 -3.704 -5.078 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.144 -3.713 -4.479 1.00 0.00 H new ATOM 0 HD1 HIS A 102 3.510 -4.341 -2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.683 -0.800 -3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.557 -3.193 -0.024 1.00 0.00 H new ATOM 1881 N VAL A 122 8.382 -11.313 -2.780 1.00 0.00 N ATOM 1882 CA VAL A 122 7.642 -10.185 -2.257 1.00 0.00 C ATOM 1883 C VAL A 122 6.607 -9.723 -3.289 1.00 0.00 C ATOM 1884 O VAL A 122 5.487 -9.330 -2.948 1.00 0.00 O ATOM 1885 CB VAL A 122 8.584 -9.057 -1.849 1.00 0.00 C ATOM 1886 CG1 VAL A 122 9.267 -8.520 -3.056 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.853 -7.965 -1.095 1.00 0.00 C ATOM 0 HA VAL A 122 7.109 -10.492 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 122 9.335 -9.458 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.940 -7.714 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.839 -9.315 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.523 -8.137 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 122 8.556 -7.179 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.070 -7.547 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.406 -8.382 -0.193 1.00 0.00 H new ATOM 1897 N ARG A 123 6.983 -9.814 -4.565 1.00 0.00 N ATOM 1898 CA ARG A 123 6.042 -9.600 -5.653 1.00 0.00 C ATOM 1899 C ARG A 123 4.946 -10.658 -5.588 1.00 0.00 C ATOM 1900 O ARG A 123 3.789 -10.386 -5.894 1.00 0.00 O ATOM 1901 CB ARG A 123 6.777 -9.636 -7.006 1.00 0.00 C ATOM 1902 CG ARG A 123 5.901 -9.998 -8.197 1.00 0.00 C ATOM 1903 CD ARG A 123 5.932 -11.493 -8.469 1.00 0.00 C ATOM 1904 NE ARG A 123 4.744 -11.961 -9.176 1.00 0.00 N ATOM 1905 CZ ARG A 123 4.754 -12.959 -10.057 1.00 0.00 C ATOM 1906 NH1 ARG A 123 5.910 -13.499 -10.438 1.00 0.00 N ATOM 1907 NH2 ARG A 123 3.613 -13.401 -10.570 1.00 0.00 N ATOM 0 H ARG A 123 7.933 -10.034 -4.865 1.00 0.00 H new ATOM 0 HA ARG A 123 5.581 -8.617 -5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 123 7.226 -8.659 -7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.594 -10.355 -6.941 1.00 0.00 H new ATOM 0 HG2 ARG A 123 4.875 -9.682 -8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 123 6.242 -9.458 -9.080 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.818 -11.733 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 123 6.022 -12.028 -7.524 1.00 0.00 H new ATOM 0 HE ARG A 123 3.856 -11.497 -8.984 1.00 0.00 H new ATOM 0 HH11 ARG A 123 6.788 -13.148 -10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 123 5.918 -14.264 -11.113 1.00 0.00 H new ATOM 0 HH21 ARG A 123 2.729 -12.976 -10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 123 3.620 -14.166 -11.245 1.00 0.00 H new ATOM 1921 N GLY A 124 5.321 -11.850 -5.143 1.00 0.00 N ATOM 1922 CA GLY A 124 4.368 -12.938 -5.002 1.00 0.00 C ATOM 1923 C GLY A 124 3.405 -12.684 -3.860 1.00 0.00 C ATOM 1924 O GLY A 124 2.234 -13.084 -3.908 1.00 0.00 O ATOM 0 H GLY A 124 6.276 -12.086 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.810 -13.058 -5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.903 -13.872 -4.828 1.00 0.00 H new ATOM 1928 N LYS A 125 3.891 -11.975 -2.846 1.00 0.00 N ATOM 1929 CA LYS A 125 3.081 -11.597 -1.704 1.00 0.00 C ATOM 1930 C LYS A 125 1.931 -10.750 -2.168 1.00 0.00 C ATOM 1931 O LYS A 125 0.785 -10.923 -1.757 1.00 0.00 O ATOM 1932 CB LYS A 125 3.933 -10.787 -0.739 1.00 0.00 C ATOM 1933 CG LYS A 125 5.230 -11.494 -0.403 1.00 0.00 C ATOM 1934 CD LYS A 125 6.021 -10.774 0.683 1.00 0.00 C ATOM 1935 CE LYS A 125 5.272 -10.739 2.011 1.00 0.00 C ATOM 1936 NZ LYS A 125 5.065 -12.097 2.585 1.00 0.00 N ATOM 0 H LYS A 125 4.856 -11.649 -2.797 1.00 0.00 H new ATOM 0 HA LYS A 125 2.703 -12.492 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.153 -9.814 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.371 -10.604 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.012 -12.511 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.841 -11.572 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.981 -11.271 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.234 -9.755 0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.828 -10.128 2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.305 -10.258 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.707 -12.012 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.375 -12.617 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.968 -12.612 2.592 1.00 0.00 H new ATOM 1950 N MET A 126 2.253 -9.858 -3.075 1.00 0.00 N ATOM 1951 CA MET A 126 1.271 -8.969 -3.643 1.00 0.00 C ATOM 1952 C MET A 126 0.507 -9.703 -4.734 1.00 0.00 C ATOM 1953 O MET A 126 -0.640 -9.388 -5.043 1.00 0.00 O ATOM 1954 CB MET A 126 1.968 -7.734 -4.207 1.00 0.00 C ATOM 1955 CG MET A 126 3.141 -7.284 -3.355 1.00 0.00 C ATOM 1956 SD MET A 126 2.653 -6.718 -1.715 1.00 0.00 S ATOM 1957 CE MET A 126 4.250 -6.647 -0.910 1.00 0.00 C ATOM 0 H MET A 126 3.198 -9.729 -3.437 1.00 0.00 H new ATOM 0 HA MET A 126 0.567 -8.648 -2.876 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.319 -7.949 -5.217 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.248 -6.920 -4.286 1.00 0.00 H new ATOM 0 HG2 MET A 126 3.845 -8.110 -3.252 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.667 -6.479 -3.868 1.00 0.00 H new ATOM 0 HE1 MET A 126 4.234 -5.879 -0.136 1.00 0.00 H new ATOM 0 HE2 MET A 126 4.473 -7.613 -0.458 1.00 0.00 H new ATOM 0 HE3 MET A 126 5.018 -6.405 -1.645 1.00 0.00 H new ATOM 1967 N ASP A 127 1.109 -10.758 -5.242 1.00 0.00 N ATOM 1968 CA ASP A 127 0.581 -11.428 -6.422 1.00 0.00 C ATOM 1969 C ASP A 127 -0.620 -12.300 -6.056 1.00 0.00 C ATOM 1970 O ASP A 127 -1.415 -12.669 -6.916 1.00 0.00 O ATOM 1971 CB ASP A 127 1.701 -12.254 -7.064 1.00 0.00 C ATOM 1972 CG ASP A 127 1.253 -13.057 -8.267 1.00 0.00 C ATOM 1973 OD1 ASP A 127 1.250 -12.500 -9.388 1.00 0.00 O ATOM 1974 OD2 ASP A 127 0.924 -14.247 -8.109 1.00 0.00 O ATOM 0 H ASP A 127 1.960 -11.172 -4.862 1.00 0.00 H new ATOM 0 HA ASP A 127 0.230 -10.688 -7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.507 -11.585 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 127 2.113 -12.933 -6.318 1.00 0.00 H new ATOM 1979 N GLY A 128 -0.791 -12.558 -4.768 1.00 0.00 N ATOM 1980 CA GLY A 128 -2.027 -13.172 -4.298 1.00 0.00 C ATOM 1981 C GLY A 128 -2.632 -12.420 -3.121 1.00 0.00 C ATOM 1982 O GLY A 128 -3.818 -12.038 -3.125 1.00 0.00 O ATOM 0 H GLY A 128 -0.105 -12.357 -4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.748 -13.205 -5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.830 -14.203 -4.005 1.00 0.00 H new ATOM 1986 N GLY A 129 -1.805 -12.166 -2.124 1.00 0.00 N ATOM 1987 CA GLY A 129 -2.279 -11.554 -0.909 1.00 0.00 C ATOM 1988 C GLY A 129 -2.764 -10.138 -1.112 1.00 0.00 C ATOM 1989 O GLY A 129 -3.570 -9.641 -0.327 1.00 0.00 O ATOM 0 H GLY A 129 -0.807 -12.375 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -3.091 -12.155 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.477 -11.555 -0.171 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.303 -9.483 -2.174 1.00 0.00 N ATOM 1994 CA TRP A 130 -2.617 -8.085 -2.364 1.00 0.00 C ATOM 1995 C TRP A 130 -4.084 -7.884 -2.732 1.00 0.00 C ATOM 1996 O TRP A 130 -4.680 -6.885 -2.348 1.00 0.00 O ATOM 1997 CB TRP A 130 -1.711 -7.497 -3.420 1.00 0.00 C ATOM 1998 CG TRP A 130 -1.310 -6.090 -3.176 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -0.865 -5.228 -4.119 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -1.298 -5.376 -1.929 1.00 0.00 C ATOM 2001 NE1 TRP A 130 -0.586 -4.024 -3.553 1.00 0.00 N ATOM 2002 CE2 TRP A 130 -0.849 -4.078 -2.214 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -1.631 -5.695 -0.606 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 -0.724 -3.092 -1.237 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 -1.504 -4.719 0.365 1.00 0.00 C ATOM 2006 CH2 TRP A 130 -1.056 -3.429 0.045 1.00 0.00 C ATOM 0 H TRP A 130 -1.720 -9.897 -2.902 1.00 0.00 H new ATOM 0 HA TRP A 130 -2.449 -7.565 -1.421 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -0.812 -8.110 -3.491 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -2.214 -7.555 -4.385 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -0.749 -5.462 -5.167 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -0.234 -3.206 -4.051 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -1.980 -6.684 -0.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -0.378 -2.099 -1.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -1.754 -4.954 1.389 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -0.972 -2.688 0.826 1.00 0.00 H new ATOM 2017 N THR A 131 -4.677 -8.818 -3.470 1.00 0.00 N ATOM 2018 CA THR A 131 -6.107 -8.749 -3.708 1.00 0.00 C ATOM 2019 C THR A 131 -6.862 -9.072 -2.437 1.00 0.00 C ATOM 2020 O THR A 131 -7.866 -8.457 -2.135 1.00 0.00 O ATOM 2021 CB THR A 131 -6.588 -9.696 -4.807 1.00 0.00 C ATOM 2022 OG1 THR A 131 -5.706 -10.820 -4.903 1.00 0.00 O ATOM 2023 CG2 THR A 131 -6.675 -8.990 -6.151 1.00 0.00 C ATOM 0 H THR A 131 -4.201 -9.610 -3.902 1.00 0.00 H new ATOM 0 HA THR A 131 -6.306 -7.729 -4.038 1.00 0.00 H new ATOM 0 HB THR A 131 -7.588 -10.038 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 131 -6.021 -11.424 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 131 -7.020 -9.693 -6.909 1.00 0.00 H new ATOM 0 HG22 THR A 131 -7.376 -8.159 -6.081 1.00 0.00 H new ATOM 0 HG23 THR A 131 -5.691 -8.612 -6.428 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.381 -10.034 -1.682 1.00 0.00 N ATOM 2032 CA GLY A 132 -7.001 -10.297 -0.410 1.00 0.00 C ATOM 2033 C GLY A 132 -7.174 -9.022 0.388 1.00 0.00 C ATOM 2034 O GLY A 132 -8.290 -8.640 0.738 1.00 0.00 O ATOM 0 H GLY A 132 -5.587 -10.629 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -7.972 -10.766 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.393 -11.003 0.155 1.00 0.00 H new ATOM 2038 N ILE A 133 -6.089 -8.308 0.600 1.00 0.00 N ATOM 2039 CA ILE A 133 -6.150 -7.130 1.436 1.00 0.00 C ATOM 2040 C ILE A 133 -6.668 -5.899 0.675 1.00 0.00 C ATOM 2041 O ILE A 133 -7.559 -5.219 1.156 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.788 -6.806 2.062 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -3.942 -8.072 2.228 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -5.009 -6.160 3.417 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -2.552 -7.808 2.768 1.00 0.00 C ATOM 0 H ILE A 133 -5.169 -8.518 0.212 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.858 -7.366 2.230 1.00 0.00 H new ATOM 0 HB ILE A 133 -4.252 -6.124 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -4.459 -8.758 2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -3.859 -8.572 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -4.046 -5.926 3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -5.584 -5.242 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -5.556 -6.847 4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.012 -8.750 2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -2.016 -7.147 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -2.626 -7.336 3.748 1.00 0.00 H new ATOM 2057 N VAL A 134 -6.139 -5.603 -0.505 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.603 -4.432 -1.244 1.00 0.00 C ATOM 2059 C VAL A 134 -7.905 -4.718 -1.974 1.00 0.00 C ATOM 2060 O VAL A 134 -8.847 -3.943 -1.898 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.565 -3.949 -2.266 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -6.017 -2.660 -2.910 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -4.233 -3.743 -1.607 1.00 0.00 C ATOM 0 H VAL A 134 -5.405 -6.142 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 134 -6.762 -3.649 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 134 -5.465 -4.715 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -5.269 -2.332 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -6.967 -2.821 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -6.142 -1.895 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -3.510 -3.401 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.328 -2.995 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -3.892 -4.683 -1.174 1.00 0.00 H new ATOM 2073 N ASN A 135 -8.002 -5.861 -2.619 1.00 0.00 N ATOM 2074 CA ASN A 135 -9.182 -6.127 -3.423 1.00 0.00 C ATOM 2075 C ASN A 135 -10.345 -6.389 -2.504 1.00 0.00 C ATOM 2076 O ASN A 135 -11.448 -5.886 -2.718 1.00 0.00 O ATOM 2077 CB ASN A 135 -8.959 -7.322 -4.365 1.00 0.00 C ATOM 2078 CG ASN A 135 -10.209 -7.796 -5.096 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -10.517 -7.343 -6.195 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -10.911 -8.751 -4.507 1.00 0.00 N ATOM 0 H ASN A 135 -7.302 -6.603 -2.607 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.391 -5.258 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -8.204 -7.050 -5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -8.555 -8.153 -3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -11.737 -9.134 -4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -10.626 -9.104 -3.593 1.00 0.00 H new ATOM 2087 N GLU A 136 -10.102 -7.117 -1.429 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.194 -7.460 -0.590 1.00 0.00 C ATOM 2089 C GLU A 136 -11.331 -6.484 0.587 1.00 0.00 C ATOM 2090 O GLU A 136 -12.419 -5.961 0.816 1.00 0.00 O ATOM 2091 CB GLU A 136 -11.030 -8.924 -0.169 1.00 0.00 C ATOM 2092 CG GLU A 136 -11.659 -9.261 1.171 1.00 0.00 C ATOM 2093 CD GLU A 136 -11.581 -10.733 1.509 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -12.070 -11.557 0.710 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -11.052 -11.077 2.588 1.00 0.00 O ATOM 0 H GLU A 136 -9.188 -7.463 -1.138 1.00 0.00 H new ATOM 0 HA GLU A 136 -12.137 -7.367 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.471 -9.562 -0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -9.967 -9.162 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -11.162 -8.688 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -12.704 -8.951 1.164 1.00 0.00 H new ATOM 2102 N ARG A 137 -10.229 -6.153 1.265 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.292 -5.242 2.419 1.00 0.00 C ATOM 2104 C ARG A 137 -10.290 -3.773 2.039 1.00 0.00 C ATOM 2105 O ARG A 137 -10.901 -2.990 2.731 1.00 0.00 O ATOM 2106 CB ARG A 137 -9.221 -5.532 3.473 1.00 0.00 C ATOM 2107 CG ARG A 137 -8.875 -4.346 4.394 1.00 0.00 C ATOM 2108 CD ARG A 137 -10.060 -3.872 5.246 1.00 0.00 C ATOM 2109 NE ARG A 137 -10.343 -4.754 6.380 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.446 -4.661 7.132 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -12.381 -3.766 6.832 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -11.609 -5.445 8.189 1.00 0.00 N ATOM 0 H ARG A 137 -9.294 -6.494 1.042 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.262 -5.450 2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.556 -6.366 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.312 -5.856 2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.055 -4.634 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.519 -3.515 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.854 -2.868 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.947 -3.803 4.617 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.663 -5.479 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.258 -3.150 6.028 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.222 -3.695 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -10.890 -6.126 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.453 -5.367 8.756 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.613 -3.358 0.989 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.686 -1.956 0.635 1.00 0.00 C ATOM 2128 C LEU A 138 -11.114 -1.666 0.286 1.00 0.00 C ATOM 2129 O LEU A 138 -11.668 -0.657 0.698 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.734 -1.607 -0.499 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.677 -0.141 -0.901 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.424 0.760 0.286 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.593 0.056 -1.921 1.00 0.00 C ATOM 0 H LEU A 138 -9.030 -3.941 0.389 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.370 -1.334 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.731 -1.923 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.015 -2.192 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.646 0.128 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.391 1.798 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.226 0.637 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.472 0.496 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.552 1.106 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.635 -0.242 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.805 -0.554 -2.799 1.00 0.00 H new ATOM 2145 N ARG A 139 -11.730 -2.612 -0.410 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.145 -2.542 -0.670 1.00 0.00 C ATOM 2147 C ARG A 139 -13.915 -2.679 0.639 1.00 0.00 C ATOM 2148 O ARG A 139 -14.995 -2.136 0.780 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.550 -3.615 -1.693 1.00 0.00 C ATOM 2150 CG ARG A 139 -14.915 -3.404 -2.342 1.00 0.00 C ATOM 2151 CD ARG A 139 -16.049 -3.867 -1.443 1.00 0.00 C ATOM 2152 NE ARG A 139 -15.904 -5.272 -1.049 1.00 0.00 N ATOM 2153 CZ ARG A 139 -16.915 -6.030 -0.626 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -18.135 -5.513 -0.522 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -16.706 -7.305 -0.305 1.00 0.00 N ATOM 0 H ARG A 139 -11.265 -3.432 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.393 -1.573 -1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -12.794 -3.652 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -13.545 -4.587 -1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.046 -2.348 -2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -14.956 -3.947 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -16.081 -3.242 -0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -16.999 -3.733 -1.960 1.00 0.00 H new ATOM 0 HE ARG A 139 -14.976 -5.693 -1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -18.297 -4.536 -0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -18.909 -6.093 -0.198 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.770 -7.704 -0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -17.482 -7.883 0.019 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.368 -3.408 1.603 1.00 0.00 N ATOM 2170 CA LYS A 140 -13.994 -3.502 2.897 1.00 0.00 C ATOM 2171 C LYS A 140 -13.936 -2.182 3.668 1.00 0.00 C ATOM 2172 O LYS A 140 -14.939 -1.690 4.150 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.322 -4.589 3.734 1.00 0.00 C ATOM 2174 CG LYS A 140 -14.132 -5.859 3.864 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.440 -7.032 3.214 1.00 0.00 C ATOM 2176 CE LYS A 140 -12.172 -7.429 3.952 1.00 0.00 C ATOM 2177 NZ LYS A 140 -12.451 -8.106 5.248 1.00 0.00 N ATOM 0 H LYS A 140 -12.500 -3.935 1.507 1.00 0.00 H new ATOM 0 HA LYS A 140 -15.041 -3.750 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.357 -4.831 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -13.123 -4.194 4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -14.302 -6.076 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -15.111 -5.715 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -14.122 -7.882 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -13.195 -6.781 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.581 -8.092 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.568 -6.540 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.557 -8.431 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -12.917 -7.438 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -13.074 -8.923 5.086 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.782 -1.582 3.719 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.585 -0.380 4.497 1.00 0.00 C ATOM 2193 C ALA A 141 -13.390 0.759 3.911 1.00 0.00 C ATOM 2194 O ALA A 141 -13.816 1.667 4.621 1.00 0.00 O ATOM 2195 CB ALA A 141 -11.115 -0.035 4.553 1.00 0.00 C ATOM 0 H ALA A 141 -11.950 -1.906 3.226 1.00 0.00 H new ATOM 0 HA ALA A 141 -12.934 -0.551 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -10.976 0.872 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.566 -0.855 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.741 0.127 3.542 1.00 0.00 H new ATOM 2201 N VAL A 142 -13.611 0.690 2.608 1.00 0.00 N ATOM 2202 CA VAL A 142 -14.350 1.711 1.923 1.00 0.00 C ATOM 2203 C VAL A 142 -15.811 1.300 1.796 1.00 0.00 C ATOM 2204 O VAL A 142 -16.676 2.131 1.515 1.00 0.00 O ATOM 2205 CB VAL A 142 -13.750 2.013 0.538 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -12.299 2.459 0.675 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -13.860 0.830 -0.411 1.00 0.00 C ATOM 0 H VAL A 142 -13.283 -0.070 2.011 1.00 0.00 H new ATOM 0 HA VAL A 142 -14.287 2.626 2.512 1.00 0.00 H new ATOM 0 HB VAL A 142 -14.333 2.824 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.888 2.669 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -12.251 3.360 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.718 1.668 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.423 1.094 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.327 -0.023 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -14.910 0.570 -0.548 1.00 0.00 H new ATOM 2217 N GLU A 143 -16.088 0.012 2.026 1.00 0.00 N ATOM 2218 CA GLU A 143 -17.453 -0.492 1.890 1.00 0.00 C ATOM 2219 C GLU A 143 -17.752 -1.671 2.845 1.00 0.00 C ATOM 2220 O GLU A 143 -18.688 -1.599 3.639 1.00 0.00 O ATOM 2221 CB GLU A 143 -17.695 -0.855 0.419 1.00 0.00 C ATOM 2222 CG GLU A 143 -18.355 -2.194 0.187 1.00 0.00 C ATOM 2223 CD GLU A 143 -19.870 -2.151 0.270 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -20.510 -1.578 -0.640 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -20.428 -2.720 1.222 1.00 0.00 O ATOM 0 H GLU A 143 -15.398 -0.687 2.302 1.00 0.00 H new ATOM 0 HA GLU A 143 -18.151 0.291 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -18.314 -0.080 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -16.738 -0.844 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -18.064 -2.567 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -17.980 -2.906 0.922 1.00 0.00 H new ATOM 2232 N GLU A 144 -16.917 -2.711 2.785 1.00 0.00 N ATOM 2233 CA GLU A 144 -17.067 -3.949 3.584 1.00 0.00 C ATOM 2234 C GLU A 144 -18.486 -4.524 3.599 1.00 0.00 C ATOM 2235 O GLU A 144 -19.321 -4.143 4.423 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.586 -3.719 5.018 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.649 -4.951 5.904 1.00 0.00 C ATOM 2238 CD GLU A 144 -15.839 -4.786 7.170 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -15.045 -3.827 7.251 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -15.971 -5.627 8.079 1.00 0.00 O ATOM 0 H GLU A 144 -16.101 -2.726 2.173 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.444 -4.693 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -15.558 -3.358 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -17.189 -2.931 5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -17.687 -5.157 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -16.281 -5.814 5.349 1.00 0.00 H new