USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=24 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= -4.21 K(o=-5.3,f=-7.9!) USER MOD Set 1.2: A 126 MET CE :methyl -104:sc= -1.13 (180deg=-3.7!) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= 0.942 USER MOD Set 2.2: A 86 THR OG1 : rot -97:sc= 1.14 USER MOD Set 3.1: A 69 GLN :FLIP amide:sc= -0.0196 F(o=-1.8,f=-1.1) USER MOD Set 3.2: A 72 THR OG1 : rot -71:sc= -1.08! USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 0.266 (180deg=0.156) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.515 K(o=-0.51,f=-1.9!) USER MOD Single : A 24 LYS NZ :NH3+ 136:sc= 1.06 (180deg=-0.144) USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.647 USER MOD Single : A 30 SER OG : rot 55:sc= -0.945 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0413 F(o=-1.4!,f=-0.041) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc=-0.00514 (180deg=-0.108) USER MOD Single : A 50 GLN :FLIP amide:sc= -11.8! C(o=-19!,f=-12!) USER MOD Single : A 63 CYS SG : rot 28:sc= 0.00148 USER MOD Single : A 64 LYS NZ :NH3+ -130:sc= 1.13 (180deg=-0.53!) USER MOD Single : A 88 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.2) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -76:sc= 0.0978! USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0761) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 135 ASN : amide:sc= -4.73! C(o=-4.7!,f=-7.6!) USER MOD Single : A 140 LYS NZ :NH3+ -122:sc= 0.859 (180deg=0.0507) USER MOD ----------------------------------------------------------------- ATOM 159 N ILE A 12 4.651 -4.783 -9.080 1.00 0.00 N ATOM 160 CA ILE A 12 3.442 -5.542 -8.877 1.00 0.00 C ATOM 161 C ILE A 12 2.261 -4.604 -8.965 1.00 0.00 C ATOM 162 O ILE A 12 2.238 -3.543 -8.342 1.00 0.00 O ATOM 163 CB ILE A 12 3.431 -6.330 -7.531 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.217 -7.818 -7.819 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.360 -5.820 -6.558 1.00 0.00 C ATOM 166 CD1 ILE A 12 1.902 -8.137 -8.505 1.00 0.00 C ATOM 0 HA ILE A 12 3.383 -6.299 -9.659 1.00 0.00 H new ATOM 0 HB ILE A 12 4.395 -6.174 -7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.036 -8.177 -8.443 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.267 -8.369 -6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.397 -6.404 -5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.546 -4.771 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.375 -5.923 -7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.830 -9.212 -8.672 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.074 -7.812 -7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.855 -7.617 -9.462 1.00 0.00 H new ATOM 178 N THR A 13 1.316 -4.961 -9.790 1.00 0.00 N ATOM 179 CA THR A 13 0.112 -4.191 -9.906 1.00 0.00 C ATOM 180 C THR A 13 -1.066 -5.068 -9.543 1.00 0.00 C ATOM 181 O THR A 13 -1.155 -6.220 -9.972 1.00 0.00 O ATOM 182 CB THR A 13 -0.063 -3.637 -11.332 1.00 0.00 C ATOM 183 OG1 THR A 13 1.194 -3.682 -12.027 1.00 0.00 O ATOM 184 CG2 THR A 13 -0.559 -2.201 -11.299 1.00 0.00 C ATOM 0 H THR A 13 1.358 -5.783 -10.393 1.00 0.00 H new ATOM 0 HA THR A 13 0.171 -3.341 -9.226 1.00 0.00 H new ATOM 0 HB THR A 13 -0.799 -4.253 -11.848 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.079 -3.330 -12.934 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.675 -1.832 -12.318 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.520 -2.160 -10.787 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.162 -1.579 -10.768 1.00 0.00 H new ATOM 192 N LYS A 14 -1.944 -4.526 -8.738 1.00 0.00 N ATOM 193 CA LYS A 14 -3.115 -5.231 -8.281 1.00 0.00 C ATOM 194 C LYS A 14 -4.325 -4.418 -8.658 1.00 0.00 C ATOM 195 O LYS A 14 -4.366 -3.219 -8.412 1.00 0.00 O ATOM 196 CB LYS A 14 -3.068 -5.439 -6.760 1.00 0.00 C ATOM 197 CG LYS A 14 -2.061 -6.490 -6.291 1.00 0.00 C ATOM 198 CD LYS A 14 -2.504 -7.917 -6.612 1.00 0.00 C ATOM 199 CE LYS A 14 -2.093 -8.349 -8.011 1.00 0.00 C ATOM 200 NZ LYS A 14 -2.460 -9.763 -8.297 1.00 0.00 N ATOM 0 H LYS A 14 -1.866 -3.575 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.159 -6.215 -8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.829 -4.488 -6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.061 -5.727 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.097 -6.299 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.915 -6.393 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.073 -8.602 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.587 -7.989 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.568 -7.697 -8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.016 -8.225 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.015 -10.064 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.129 -10.371 -7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.493 -9.843 -8.382 1.00 0.00 H new ATOM 214 N SER A 15 -5.307 -5.047 -9.250 1.00 0.00 N ATOM 215 CA SER A 15 -6.462 -4.320 -9.691 1.00 0.00 C ATOM 216 C SER A 15 -7.726 -4.856 -9.067 1.00 0.00 C ATOM 217 O SER A 15 -7.962 -6.065 -8.985 1.00 0.00 O ATOM 218 CB SER A 15 -6.553 -4.371 -11.208 1.00 0.00 C ATOM 219 OG SER A 15 -6.009 -5.584 -11.717 1.00 0.00 O ATOM 0 H SER A 15 -5.328 -6.050 -9.435 1.00 0.00 H new ATOM 0 HA SER A 15 -6.355 -3.283 -9.371 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.595 -4.280 -11.515 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.019 -3.522 -11.635 1.00 0.00 H new ATOM 0 HG SER A 15 -6.082 -5.591 -12.694 1.00 0.00 H new ATOM 225 N ILE A 16 -8.507 -3.915 -8.601 1.00 0.00 N ATOM 226 CA ILE A 16 -9.774 -4.171 -7.988 1.00 0.00 C ATOM 227 C ILE A 16 -10.673 -2.965 -8.146 1.00 0.00 C ATOM 228 O ILE A 16 -10.206 -1.832 -8.181 1.00 0.00 O ATOM 229 CB ILE A 16 -9.632 -4.506 -6.497 1.00 0.00 C ATOM 230 CG1 ILE A 16 -11.012 -4.490 -5.841 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.651 -3.564 -5.807 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.193 -3.498 -4.723 1.00 0.00 C ATOM 0 H ILE A 16 -8.267 -2.924 -8.641 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.212 -5.035 -8.488 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.215 -5.507 -6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.757 -4.283 -6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.222 -5.487 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.573 -3.828 -4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.671 -3.652 -6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.006 -2.538 -5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.207 -3.573 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.480 -3.713 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.023 -2.490 -5.100 1.00 0.00 H new ATOM 244 N THR A 17 -11.948 -3.198 -8.249 1.00 0.00 N ATOM 245 CA THR A 17 -12.880 -2.108 -8.208 1.00 0.00 C ATOM 246 C THR A 17 -13.429 -1.981 -6.794 1.00 0.00 C ATOM 247 O THR A 17 -14.053 -2.910 -6.273 1.00 0.00 O ATOM 248 CB THR A 17 -14.031 -2.325 -9.194 1.00 0.00 C ATOM 249 OG1 THR A 17 -13.511 -2.701 -10.478 1.00 0.00 O ATOM 250 CG2 THR A 17 -14.844 -1.056 -9.331 1.00 0.00 C ATOM 0 H THR A 17 -12.364 -4.122 -8.361 1.00 0.00 H new ATOM 0 HA THR A 17 -12.362 -1.193 -8.495 1.00 0.00 H new ATOM 0 HB THR A 17 -14.671 -3.122 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.253 -2.840 -11.103 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.660 -1.221 -10.034 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.253 -0.779 -8.359 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.205 -0.253 -9.698 1.00 0.00 H new ATOM 258 N LEU A 18 -13.213 -0.827 -6.175 1.00 0.00 N ATOM 259 CA LEU A 18 -13.709 -0.586 -4.853 1.00 0.00 C ATOM 260 C LEU A 18 -15.056 0.002 -5.032 1.00 0.00 C ATOM 261 O LEU A 18 -15.166 1.125 -5.488 1.00 0.00 O ATOM 262 CB LEU A 18 -12.845 0.434 -4.102 1.00 0.00 C ATOM 263 CG LEU A 18 -11.373 0.104 -3.995 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.591 1.339 -3.612 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.142 -0.989 -2.971 1.00 0.00 C ATOM 0 H LEU A 18 -12.694 -0.049 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.709 -1.513 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.946 1.400 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.246 0.548 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.030 -0.252 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.532 1.091 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.731 2.108 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.945 1.710 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.077 -1.211 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.500 -0.656 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.683 -1.887 -3.269 1.00 0.00 H new ATOM 277 N GLU A 19 -16.093 -0.720 -4.748 1.00 0.00 N ATOM 278 CA GLU A 19 -17.361 -0.094 -4.882 1.00 0.00 C ATOM 279 C GLU A 19 -17.540 0.808 -3.679 1.00 0.00 C ATOM 280 O GLU A 19 -18.130 0.425 -2.679 1.00 0.00 O ATOM 281 CB GLU A 19 -18.416 -1.190 -4.953 1.00 0.00 C ATOM 282 CG GLU A 19 -17.969 -2.463 -4.249 1.00 0.00 C ATOM 283 CD GLU A 19 -18.774 -3.676 -4.651 1.00 0.00 C ATOM 284 OE1 GLU A 19 -19.848 -3.904 -4.065 1.00 0.00 O ATOM 285 OE2 GLU A 19 -18.325 -4.415 -5.549 1.00 0.00 O ATOM 0 H GLU A 19 -16.090 -1.692 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.449 0.511 -5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.341 -0.832 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.637 -1.412 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.917 -2.643 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.049 -2.322 -3.171 1.00 0.00 H new ATOM 292 N ALA A 20 -17.041 2.030 -3.826 1.00 0.00 N ATOM 293 CA ALA A 20 -17.124 3.034 -2.782 1.00 0.00 C ATOM 294 C ALA A 20 -17.043 4.415 -3.388 1.00 0.00 C ATOM 295 O ALA A 20 -16.594 4.564 -4.505 1.00 0.00 O ATOM 296 CB ALA A 20 -16.002 2.844 -1.785 1.00 0.00 C ATOM 0 H ALA A 20 -16.569 2.348 -4.672 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.078 2.926 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -16.075 3.603 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.079 1.854 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -15.043 2.937 -2.294 1.00 0.00 H new ATOM 302 N PRO A 21 -17.387 5.456 -2.658 1.00 0.00 N ATOM 303 CA PRO A 21 -17.154 6.806 -3.135 1.00 0.00 C ATOM 304 C PRO A 21 -15.674 7.162 -3.008 1.00 0.00 C ATOM 305 O PRO A 21 -14.963 6.556 -2.198 1.00 0.00 O ATOM 306 CB PRO A 21 -17.994 7.653 -2.198 1.00 0.00 C ATOM 307 CG PRO A 21 -18.001 6.878 -0.925 1.00 0.00 C ATOM 308 CD PRO A 21 -17.983 5.425 -1.319 1.00 0.00 C ATOM 0 HA PRO A 21 -17.413 6.948 -4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.562 8.644 -2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -19.003 7.796 -2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -17.134 7.126 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.886 7.110 -0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.391 4.826 -0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.986 4.998 -1.333 1.00 0.00 H new ATOM 316 N ILE A 22 -15.210 8.131 -3.781 1.00 0.00 N ATOM 317 CA ILE A 22 -13.802 8.538 -3.741 1.00 0.00 C ATOM 318 C ILE A 22 -13.363 8.853 -2.319 1.00 0.00 C ATOM 319 O ILE A 22 -12.255 8.535 -1.898 1.00 0.00 O ATOM 320 CB ILE A 22 -13.553 9.765 -4.650 1.00 0.00 C ATOM 321 CG1 ILE A 22 -12.209 10.425 -4.321 1.00 0.00 C ATOM 322 CG2 ILE A 22 -14.692 10.773 -4.537 1.00 0.00 C ATOM 323 CD1 ILE A 22 -11.862 11.580 -5.226 1.00 0.00 C ATOM 0 H ILE A 22 -15.781 8.654 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.210 7.701 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.516 9.414 -5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.230 10.777 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.421 9.675 -4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.490 11.625 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.627 10.301 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -14.774 11.115 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.898 11.996 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.807 11.231 -6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.629 12.350 -5.144 1.00 0.00 H new ATOM 335 N GLN A 23 -14.289 9.418 -1.588 1.00 0.00 N ATOM 336 CA GLN A 23 -14.072 9.900 -0.241 1.00 0.00 C ATOM 337 C GLN A 23 -13.832 8.774 0.778 1.00 0.00 C ATOM 338 O GLN A 23 -13.140 8.977 1.775 1.00 0.00 O ATOM 339 CB GLN A 23 -15.265 10.747 0.120 1.00 0.00 C ATOM 340 CG GLN A 23 -16.542 10.046 -0.231 1.00 0.00 C ATOM 341 CD GLN A 23 -17.573 10.984 -0.821 1.00 0.00 C ATOM 342 OE1 GLN A 23 -17.227 11.958 -1.485 1.00 0.00 O ATOM 343 NE2 GLN A 23 -18.842 10.707 -0.578 1.00 0.00 N ATOM 0 H GLN A 23 -15.243 9.561 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.155 10.488 -0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.249 10.970 1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -15.212 11.700 -0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -16.331 9.248 -0.943 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.952 9.576 0.663 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -19.088 9.888 -0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -19.576 11.312 -0.947 1.00 0.00 H new ATOM 352 N LYS A 24 -14.406 7.595 0.548 1.00 0.00 N ATOM 353 CA LYS A 24 -14.204 6.476 1.475 1.00 0.00 C ATOM 354 C LYS A 24 -12.813 5.896 1.272 1.00 0.00 C ATOM 355 O LYS A 24 -12.083 5.607 2.217 1.00 0.00 O ATOM 356 CB LYS A 24 -15.234 5.374 1.206 1.00 0.00 C ATOM 357 CG LYS A 24 -16.572 5.564 1.894 1.00 0.00 C ATOM 358 CD LYS A 24 -16.499 5.196 3.365 1.00 0.00 C ATOM 359 CE LYS A 24 -17.875 4.874 3.926 1.00 0.00 C ATOM 360 NZ LYS A 24 -18.542 3.777 3.166 1.00 0.00 N ATOM 0 H LYS A 24 -15.003 7.388 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.318 6.842 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.402 5.309 0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.813 4.419 1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.890 6.602 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -17.326 4.950 1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.842 4.336 3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.060 6.021 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.782 4.586 4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.498 5.768 3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.980 3.110 3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.275 4.179 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.837 3.276 2.588 1.00 0.00 H new ATOM 374 N VAL A 25 -12.438 5.809 0.017 1.00 0.00 N ATOM 375 CA VAL A 25 -11.094 5.438 -0.388 1.00 0.00 C ATOM 376 C VAL A 25 -10.105 6.514 0.032 1.00 0.00 C ATOM 377 O VAL A 25 -8.973 6.232 0.386 1.00 0.00 O ATOM 378 CB VAL A 25 -11.029 5.177 -1.904 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.723 4.488 -2.263 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.225 4.331 -2.336 1.00 0.00 C ATOM 0 H VAL A 25 -13.064 5.996 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.821 4.510 0.114 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.068 6.129 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.689 4.309 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.885 5.123 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.656 3.537 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.174 4.150 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.208 3.379 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.149 4.860 -2.101 1.00 0.00 H new ATOM 390 N TRP A 26 -10.555 7.749 -0.029 1.00 0.00 N ATOM 391 CA TRP A 26 -9.799 8.902 0.444 1.00 0.00 C ATOM 392 C TRP A 26 -9.409 8.705 1.895 1.00 0.00 C ATOM 393 O TRP A 26 -8.286 8.978 2.291 1.00 0.00 O ATOM 394 CB TRP A 26 -10.735 10.076 0.363 1.00 0.00 C ATOM 395 CG TRP A 26 -10.136 11.416 0.150 1.00 0.00 C ATOM 396 CD1 TRP A 26 -9.006 11.983 0.664 1.00 0.00 C ATOM 397 CD2 TRP A 26 -10.740 12.374 -0.660 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.889 13.276 0.180 1.00 0.00 N ATOM 399 CE2 TRP A 26 -9.967 13.531 -0.641 1.00 0.00 C ATOM 400 CE3 TRP A 26 -11.892 12.320 -1.402 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -10.336 14.665 -1.367 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -12.273 13.418 -2.122 1.00 0.00 C ATOM 403 CH2 TRP A 26 -11.499 14.589 -2.103 1.00 0.00 C ATOM 0 H TRP A 26 -11.469 7.990 -0.413 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.895 9.045 -0.148 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.439 9.890 -0.448 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.314 10.109 1.286 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.314 11.501 1.339 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -8.134 13.928 0.394 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.491 11.421 -1.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -9.736 15.563 -1.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -13.178 13.384 -2.711 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -11.821 15.446 -2.676 1.00 0.00 H new ATOM 414 N GLU A 27 -10.373 8.228 2.659 1.00 0.00 N ATOM 415 CA GLU A 27 -10.178 7.840 4.047 1.00 0.00 C ATOM 416 C GLU A 27 -9.285 6.601 4.147 1.00 0.00 C ATOM 417 O GLU A 27 -8.647 6.361 5.173 1.00 0.00 O ATOM 418 CB GLU A 27 -11.536 7.555 4.680 1.00 0.00 C ATOM 419 CG GLU A 27 -11.498 7.321 6.178 1.00 0.00 C ATOM 420 CD GLU A 27 -12.873 7.042 6.739 1.00 0.00 C ATOM 421 OE1 GLU A 27 -13.598 8.012 7.052 1.00 0.00 O ATOM 422 OE2 GLU A 27 -13.241 5.855 6.858 1.00 0.00 O ATOM 0 H GLU A 27 -11.329 8.096 2.330 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.685 8.655 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.202 8.393 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.969 6.678 4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.839 6.481 6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.075 8.196 6.672 1.00 0.00 H new ATOM 429 N THR A 28 -9.331 5.774 3.112 1.00 0.00 N ATOM 430 CA THR A 28 -8.687 4.469 3.138 1.00 0.00 C ATOM 431 C THR A 28 -7.324 4.337 2.401 1.00 0.00 C ATOM 432 O THR A 28 -6.695 3.297 2.508 1.00 0.00 O ATOM 433 CB THR A 28 -9.661 3.382 2.680 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.934 3.575 3.313 1.00 0.00 O ATOM 435 CG2 THR A 28 -9.129 2.025 3.068 1.00 0.00 C ATOM 0 H THR A 28 -9.812 5.986 2.238 1.00 0.00 H new ATOM 0 HA THR A 28 -8.419 4.335 4.186 1.00 0.00 H new ATOM 0 HB THR A 28 -9.772 3.441 1.597 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.372 4.365 2.932 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.826 1.254 2.740 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.161 1.865 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.016 1.975 4.151 1.00 0.00 H new ATOM 443 N VAL A 29 -6.859 5.320 1.627 1.00 0.00 N ATOM 444 CA VAL A 29 -5.592 5.123 0.879 1.00 0.00 C ATOM 445 C VAL A 29 -4.597 6.275 1.035 1.00 0.00 C ATOM 446 O VAL A 29 -3.521 6.099 1.585 1.00 0.00 O ATOM 447 CB VAL A 29 -5.785 4.802 -0.630 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.569 3.533 -0.804 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.446 5.931 -1.395 1.00 0.00 C ATOM 0 H VAL A 29 -7.309 6.226 1.497 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.166 4.239 1.354 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.787 4.675 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.694 3.325 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.035 2.708 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.548 3.644 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.553 5.647 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.430 6.131 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.831 6.828 -1.323 1.00 0.00 H new ATOM 459 N SER A 30 -4.911 7.446 0.554 1.00 0.00 N ATOM 460 CA SER A 30 -3.962 8.535 0.665 1.00 0.00 C ATOM 461 C SER A 30 -4.318 9.376 1.857 1.00 0.00 C ATOM 462 O SER A 30 -4.794 10.502 1.733 1.00 0.00 O ATOM 463 CB SER A 30 -3.939 9.366 -0.606 1.00 0.00 C ATOM 464 OG SER A 30 -5.251 9.746 -0.991 1.00 0.00 O ATOM 0 H SER A 30 -5.791 7.675 0.092 1.00 0.00 H new ATOM 0 HA SER A 30 -2.960 8.129 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.330 10.256 -0.451 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.472 8.796 -1.409 1.00 0.00 H new ATOM 0 HG SER A 30 -5.690 10.207 -0.246 1.00 0.00 H new ATOM 470 N THR A 31 -4.140 8.788 3.013 1.00 0.00 N ATOM 471 CA THR A 31 -4.634 9.359 4.230 1.00 0.00 C ATOM 472 C THR A 31 -3.840 8.844 5.406 1.00 0.00 C ATOM 473 O THR A 31 -2.852 8.135 5.229 1.00 0.00 O ATOM 474 CB THR A 31 -6.138 9.065 4.356 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.664 9.411 5.648 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.384 7.607 4.044 1.00 0.00 C ATOM 0 H THR A 31 -3.649 7.902 3.132 1.00 0.00 H new ATOM 0 HA THR A 31 -4.509 10.442 4.217 1.00 0.00 H new ATOM 0 HB THR A 31 -6.667 9.692 3.638 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.622 9.207 5.676 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.449 7.391 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.052 7.391 3.028 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.829 6.986 4.747 1.00 0.00 H new ATOM 484 N SER A 32 -4.238 9.260 6.582 1.00 0.00 N ATOM 485 CA SER A 32 -3.635 8.820 7.814 1.00 0.00 C ATOM 486 C SER A 32 -3.827 7.326 7.959 1.00 0.00 C ATOM 487 O SER A 32 -4.533 6.702 7.164 1.00 0.00 O ATOM 488 CB SER A 32 -4.228 9.524 9.020 1.00 0.00 C ATOM 489 OG SER A 32 -4.186 10.935 8.856 1.00 0.00 O ATOM 0 H SER A 32 -5.001 9.924 6.712 1.00 0.00 H new ATOM 0 HA SER A 32 -2.574 9.067 7.774 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.259 9.201 9.164 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.678 9.242 9.918 1.00 0.00 H new ATOM 0 HG SER A 32 -4.575 11.368 9.645 1.00 0.00 H new ATOM 495 N GLU A 33 -3.149 6.779 8.949 1.00 0.00 N ATOM 496 CA GLU A 33 -2.755 5.377 9.050 1.00 0.00 C ATOM 497 C GLU A 33 -3.892 4.380 8.805 1.00 0.00 C ATOM 498 O GLU A 33 -3.644 3.179 8.712 1.00 0.00 O ATOM 499 CB GLU A 33 -2.159 5.169 10.437 1.00 0.00 C ATOM 500 CG GLU A 33 -1.490 6.428 10.972 1.00 0.00 C ATOM 501 CD GLU A 33 -2.296 7.115 12.054 1.00 0.00 C ATOM 502 OE1 GLU A 33 -3.240 7.858 11.708 1.00 0.00 O ATOM 503 OE2 GLU A 33 -1.978 6.936 13.248 1.00 0.00 O ATOM 0 H GLU A 33 -2.839 7.327 9.752 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.033 5.176 8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.945 4.857 11.125 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.429 4.360 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.508 6.170 11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.330 7.125 10.149 1.00 0.00 H new ATOM 510 N GLY A 34 -5.119 4.867 8.704 1.00 0.00 N ATOM 511 CA GLY A 34 -6.233 3.995 8.389 1.00 0.00 C ATOM 512 C GLY A 34 -6.042 3.282 7.064 1.00 0.00 C ATOM 513 O GLY A 34 -6.487 2.144 6.907 1.00 0.00 O ATOM 0 H GLY A 34 -5.364 5.849 8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.352 3.258 9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.152 4.579 8.357 1.00 0.00 H new ATOM 517 N ILE A 35 -5.400 3.944 6.097 1.00 0.00 N ATOM 518 CA ILE A 35 -5.049 3.292 4.860 1.00 0.00 C ATOM 519 C ILE A 35 -4.060 2.158 5.064 1.00 0.00 C ATOM 520 O ILE A 35 -4.185 1.089 4.492 1.00 0.00 O ATOM 521 CB ILE A 35 -4.477 4.279 3.827 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.630 3.542 2.778 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.683 5.399 4.482 1.00 0.00 C ATOM 524 CD1 ILE A 35 -2.144 3.644 3.031 1.00 0.00 C ATOM 0 H ILE A 35 -5.120 4.923 6.158 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.981 2.877 4.476 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.324 4.743 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.918 2.491 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.852 3.948 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.299 6.070 3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.330 5.956 5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.850 4.975 5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.605 3.102 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.844 4.692 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.910 3.212 4.004 1.00 0.00 H new ATOM 536 N ALA A 36 -3.058 2.403 5.861 1.00 0.00 N ATOM 537 CA ALA A 36 -2.071 1.373 6.145 1.00 0.00 C ATOM 538 C ALA A 36 -2.760 0.129 6.716 1.00 0.00 C ATOM 539 O ALA A 36 -2.333 -1.002 6.493 1.00 0.00 O ATOM 540 CB ALA A 36 -0.995 1.907 7.073 1.00 0.00 C ATOM 0 H ALA A 36 -2.895 3.296 6.327 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.578 1.081 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.266 1.122 7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.496 2.754 6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.450 2.229 8.010 1.00 0.00 H new ATOM 689 N GLN A 45 0.462 8.266 6.238 1.00 0.00 N ATOM 690 CA GLN A 45 -0.435 9.422 6.262 1.00 0.00 C ATOM 691 C GLN A 45 -0.112 10.230 5.018 1.00 0.00 C ATOM 692 O GLN A 45 1.055 10.275 4.635 1.00 0.00 O ATOM 693 CB GLN A 45 -0.197 10.269 7.520 1.00 0.00 C ATOM 694 CG GLN A 45 -0.407 9.516 8.825 1.00 0.00 C ATOM 695 CD GLN A 45 -0.352 10.423 10.040 1.00 0.00 C ATOM 696 OE1 GLN A 45 -0.798 11.658 9.878 1.00 0.00 O flip ATOM 697 NE2 GLN A 45 0.071 10.012 11.121 1.00 0.00 N flip ATOM 0 HA GLN A 45 -1.479 9.109 6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.821 10.657 7.497 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.866 11.129 7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.373 9.011 8.797 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.355 8.742 8.920 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.407 9.053 11.206 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.086 10.631 11.932 1.00 0.00 H new ATOM 706 N LEU A 46 -1.088 10.871 4.370 1.00 0.00 N ATOM 707 CA LEU A 46 -0.770 11.498 3.095 1.00 0.00 C ATOM 708 C LEU A 46 0.084 12.741 3.328 1.00 0.00 C ATOM 709 O LEU A 46 -0.371 13.808 3.740 1.00 0.00 O ATOM 710 CB LEU A 46 -2.026 11.822 2.261 1.00 0.00 C ATOM 711 CG LEU A 46 -2.808 13.079 2.648 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.821 13.432 1.570 1.00 0.00 C ATOM 713 CD2 LEU A 46 -3.505 12.905 3.993 1.00 0.00 C ATOM 0 H LEU A 46 -2.053 10.965 4.688 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.198 10.781 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.725 11.917 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.703 10.969 2.321 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.095 13.898 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.367 14.329 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.302 13.615 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.521 12.606 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.052 13.815 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.201 12.068 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.761 12.708 4.765 1.00 0.00 H new ATOM 725 N LYS A 47 1.350 12.525 3.081 1.00 0.00 N ATOM 726 CA LYS A 47 2.404 13.494 3.200 1.00 0.00 C ATOM 727 C LYS A 47 3.221 13.419 1.940 1.00 0.00 C ATOM 728 O LYS A 47 3.135 12.433 1.257 1.00 0.00 O ATOM 729 CB LYS A 47 3.256 13.188 4.416 1.00 0.00 C ATOM 730 CG LYS A 47 2.810 13.927 5.657 1.00 0.00 C ATOM 731 CD LYS A 47 1.597 13.280 6.305 1.00 0.00 C ATOM 732 CE LYS A 47 1.118 14.079 7.507 1.00 0.00 C ATOM 733 NZ LYS A 47 0.535 15.390 7.111 1.00 0.00 N ATOM 0 H LYS A 47 1.691 11.614 2.774 1.00 0.00 H new ATOM 0 HA LYS A 47 2.001 14.498 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.229 12.116 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.293 13.447 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.630 13.957 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.574 14.959 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.792 13.200 5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.847 12.266 6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.372 13.501 8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.953 14.245 8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.056 15.818 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.293 16.022 6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.152 15.247 6.343 1.00 0.00 H new ATOM 747 N GLU A 48 3.886 14.473 1.546 1.00 0.00 N ATOM 748 CA GLU A 48 4.774 14.387 0.392 1.00 0.00 C ATOM 749 C GLU A 48 6.202 14.782 0.731 1.00 0.00 C ATOM 750 O GLU A 48 6.428 15.778 1.419 1.00 0.00 O ATOM 751 CB GLU A 48 4.241 15.185 -0.772 1.00 0.00 C ATOM 752 CG GLU A 48 3.214 14.424 -1.577 1.00 0.00 C ATOM 753 CD GLU A 48 2.506 15.321 -2.565 1.00 0.00 C ATOM 754 OE1 GLU A 48 1.697 16.166 -2.135 1.00 0.00 O ATOM 755 OE2 GLU A 48 2.767 15.189 -3.777 1.00 0.00 O ATOM 0 H GLU A 48 3.839 15.390 1.990 1.00 0.00 H new ATOM 0 HA GLU A 48 4.802 13.339 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.795 16.108 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.069 15.469 -1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.701 13.607 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.484 13.975 -0.904 1.00 0.00 H new ATOM 762 N GLY A 49 7.147 13.978 0.251 1.00 0.00 N ATOM 763 CA GLY A 49 8.573 14.236 0.445 1.00 0.00 C ATOM 764 C GLY A 49 8.917 14.466 1.898 1.00 0.00 C ATOM 765 O GLY A 49 9.773 15.284 2.242 1.00 0.00 O ATOM 0 H GLY A 49 6.948 13.131 -0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.148 13.391 0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.866 15.109 -0.139 1.00 0.00 H new ATOM 769 N GLN A 50 8.224 13.735 2.736 1.00 0.00 N ATOM 770 CA GLN A 50 8.247 13.912 4.156 1.00 0.00 C ATOM 771 C GLN A 50 8.998 12.767 4.766 1.00 0.00 C ATOM 772 O GLN A 50 9.374 11.830 4.068 1.00 0.00 O ATOM 773 CB GLN A 50 6.811 13.911 4.668 1.00 0.00 C ATOM 774 CG GLN A 50 6.318 12.530 5.030 1.00 0.00 C ATOM 775 CD GLN A 50 6.250 11.647 3.817 1.00 0.00 C ATOM 776 OE1 GLN A 50 5.865 12.229 2.700 1.00 0.00 O flip ATOM 777 NE2 GLN A 50 6.534 10.465 3.880 1.00 0.00 N flip ATOM 0 H GLN A 50 7.611 12.978 2.433 1.00 0.00 H new ATOM 0 HA GLN A 50 8.731 14.852 4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.742 14.557 5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.158 14.336 3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.983 12.085 5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.332 12.601 5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.827 10.058 4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.479 9.882 3.045 1.00 0.00 H new ATOM 786 N GLU A 51 9.231 12.837 6.041 1.00 0.00 N ATOM 787 CA GLU A 51 9.473 11.627 6.765 1.00 0.00 C ATOM 788 C GLU A 51 8.392 11.477 7.827 1.00 0.00 C ATOM 789 O GLU A 51 8.116 12.418 8.569 1.00 0.00 O ATOM 790 CB GLU A 51 10.868 11.607 7.391 1.00 0.00 C ATOM 791 CG GLU A 51 12.001 11.629 6.373 1.00 0.00 C ATOM 792 CD GLU A 51 12.316 13.027 5.876 1.00 0.00 C ATOM 793 OE1 GLU A 51 12.377 13.957 6.713 1.00 0.00 O ATOM 794 OE2 GLU A 51 12.501 13.207 4.655 1.00 0.00 O ATOM 0 H GLU A 51 9.259 13.696 6.591 1.00 0.00 H new ATOM 0 HA GLU A 51 9.435 10.784 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.971 12.467 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.965 10.715 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.896 11.198 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.734 10.998 5.525 1.00 0.00 H new ATOM 966 N CYS A 63 9.753 6.533 6.743 1.00 0.00 N ATOM 967 CA CYS A 63 9.208 6.413 5.411 1.00 0.00 C ATOM 968 C CYS A 63 9.104 7.800 4.776 1.00 0.00 C ATOM 969 O CYS A 63 9.121 8.806 5.489 1.00 0.00 O ATOM 970 CB CYS A 63 7.838 5.761 5.517 1.00 0.00 C ATOM 971 SG CYS A 63 7.821 4.246 6.502 1.00 0.00 S ATOM 0 HA CYS A 63 9.853 5.800 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.140 6.475 5.954 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.476 5.535 4.514 1.00 0.00 H new ATOM 0 HG CYS A 63 8.769 4.295 7.390 1.00 0.00 H new ATOM 977 N LYS A 64 8.990 7.860 3.451 1.00 0.00 N ATOM 978 CA LYS A 64 8.984 9.134 2.743 1.00 0.00 C ATOM 979 C LYS A 64 8.114 9.031 1.499 1.00 0.00 C ATOM 980 O LYS A 64 8.245 8.083 0.720 1.00 0.00 O ATOM 981 CB LYS A 64 10.424 9.550 2.390 1.00 0.00 C ATOM 982 CG LYS A 64 11.334 8.399 1.970 1.00 0.00 C ATOM 983 CD LYS A 64 11.233 8.089 0.488 1.00 0.00 C ATOM 984 CE LYS A 64 11.833 9.200 -0.358 1.00 0.00 C ATOM 985 NZ LYS A 64 11.734 8.906 -1.808 1.00 0.00 N ATOM 0 H LYS A 64 8.901 7.042 2.849 1.00 0.00 H new ATOM 0 HA LYS A 64 8.562 9.905 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.389 10.281 1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.866 10.049 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.366 8.648 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.076 7.508 2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.747 7.151 0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.187 7.948 0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.321 10.138 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.879 9.338 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.664 9.041 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.425 7.922 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.043 9.548 -2.246 1.00 0.00 H new ATOM 999 N VAL A 65 7.191 9.969 1.322 1.00 0.00 N ATOM 1000 CA VAL A 65 6.329 9.922 0.157 1.00 0.00 C ATOM 1001 C VAL A 65 7.007 10.540 -1.046 1.00 0.00 C ATOM 1002 O VAL A 65 7.563 11.629 -0.972 1.00 0.00 O ATOM 1003 CB VAL A 65 4.989 10.624 0.397 1.00 0.00 C ATOM 1004 CG1 VAL A 65 4.193 10.760 -0.885 1.00 0.00 C ATOM 1005 CG2 VAL A 65 4.167 9.871 1.423 1.00 0.00 C ATOM 0 H VAL A 65 7.025 10.751 1.955 1.00 0.00 H new ATOM 0 HA VAL A 65 6.132 8.868 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 65 5.212 11.623 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.249 11.263 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.763 11.345 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.994 9.770 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.219 10.386 1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.976 8.860 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.714 9.825 2.365 1.00 0.00 H new ATOM 1015 N LEU A 66 6.958 9.818 -2.140 1.00 0.00 N ATOM 1016 CA LEU A 66 7.399 10.320 -3.419 1.00 0.00 C ATOM 1017 C LEU A 66 6.478 11.438 -3.873 1.00 0.00 C ATOM 1018 O LEU A 66 6.912 12.549 -4.169 1.00 0.00 O ATOM 1019 CB LEU A 66 7.374 9.184 -4.444 1.00 0.00 C ATOM 1020 CG LEU A 66 8.665 8.378 -4.567 1.00 0.00 C ATOM 1021 CD1 LEU A 66 9.826 9.275 -4.971 1.00 0.00 C ATOM 1022 CD2 LEU A 66 8.965 7.669 -3.263 1.00 0.00 C ATOM 0 H LEU A 66 6.609 8.860 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 66 8.414 10.707 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.564 8.502 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.135 9.605 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 66 8.532 7.629 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.735 8.679 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.609 9.740 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.966 10.050 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.888 7.098 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.078 8.405 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.145 6.994 -3.019 1.00 0.00 H new ATOM 1034 N ALA A 67 5.197 11.118 -3.910 1.00 0.00 N ATOM 1035 CA ALA A 67 4.176 12.020 -4.389 1.00 0.00 C ATOM 1036 C ALA A 67 2.846 11.572 -3.828 1.00 0.00 C ATOM 1037 O ALA A 67 2.626 10.377 -3.651 1.00 0.00 O ATOM 1038 CB ALA A 67 4.133 12.025 -5.904 1.00 0.00 C ATOM 0 H ALA A 67 4.837 10.214 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 67 4.399 13.035 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.357 12.711 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.098 12.347 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.913 11.020 -6.265 1.00 0.00 H new ATOM 1044 N VAL A 68 1.965 12.493 -3.540 1.00 0.00 N ATOM 1045 CA VAL A 68 0.656 12.110 -3.076 1.00 0.00 C ATOM 1046 C VAL A 68 -0.424 12.969 -3.723 1.00 0.00 C ATOM 1047 O VAL A 68 -0.274 14.182 -3.876 1.00 0.00 O ATOM 1048 CB VAL A 68 0.534 12.111 -1.529 1.00 0.00 C ATOM 1049 CG1 VAL A 68 0.145 13.474 -0.972 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.455 11.047 -1.109 1.00 0.00 C ATOM 0 H VAL A 68 2.124 13.498 -3.616 1.00 0.00 H new ATOM 0 HA VAL A 68 0.505 11.076 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 68 1.515 11.886 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.074 13.416 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.901 14.209 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.819 13.773 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.545 11.043 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.428 11.259 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.106 10.072 -1.448 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.490 12.317 -4.147 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.563 12.963 -4.877 1.00 0.00 C ATOM 1062 C GLN A 69 -3.899 12.411 -4.443 1.00 0.00 C ATOM 1063 O GLN A 69 -4.074 11.189 -4.364 1.00 0.00 O ATOM 1064 CB GLN A 69 -2.376 12.716 -6.365 1.00 0.00 C ATOM 1065 CG GLN A 69 -1.374 13.638 -7.037 1.00 0.00 C ATOM 1066 CD GLN A 69 -1.254 13.380 -8.528 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -2.334 12.912 -9.141 1.00 0.00 O flip ATOM 1068 NE2 GLN A 69 -0.197 13.592 -9.124 1.00 0.00 N flip ATOM 0 H GLN A 69 -1.636 11.319 -3.994 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.539 14.033 -4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.056 11.684 -6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.340 12.824 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.672 14.674 -6.874 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.398 13.510 -6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.611 13.952 -8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.130 13.407 -10.125 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.865 13.304 -4.269 1.00 0.00 N ATOM 1078 CA ALA A 70 -6.127 12.935 -3.665 1.00 0.00 C ATOM 1079 C ALA A 70 -6.844 11.997 -4.594 1.00 0.00 C ATOM 1080 O ALA A 70 -6.980 12.297 -5.781 1.00 0.00 O ATOM 1081 CB ALA A 70 -7.004 14.146 -3.382 1.00 0.00 C ATOM 0 H ALA A 70 -4.794 14.285 -4.539 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.923 12.455 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.940 13.819 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.486 14.819 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.215 14.668 -4.315 1.00 0.00 H new ATOM 1087 N PRO A 71 -7.383 10.907 -4.030 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.709 9.674 -4.711 1.00 0.00 C ATOM 1089 C PRO A 71 -7.501 9.679 -6.223 1.00 0.00 C ATOM 1090 O PRO A 71 -8.434 9.523 -7.005 1.00 0.00 O ATOM 1091 CB PRO A 71 -9.146 9.498 -4.264 1.00 0.00 C ATOM 1092 CG PRO A 71 -9.105 9.928 -2.822 1.00 0.00 C ATOM 1093 CD PRO A 71 -7.872 10.807 -2.658 1.00 0.00 C ATOM 0 HA PRO A 71 -7.050 8.843 -4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.829 10.113 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.478 8.465 -4.368 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.009 10.477 -2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.053 9.062 -2.162 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.120 11.783 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.135 10.355 -1.994 1.00 0.00 H new ATOM 1101 N THR A 72 -6.228 9.834 -6.599 1.00 0.00 N ATOM 1102 CA THR A 72 -5.769 9.638 -7.960 1.00 0.00 C ATOM 1103 C THR A 72 -4.438 8.879 -7.975 1.00 0.00 C ATOM 1104 O THR A 72 -4.284 7.895 -8.699 1.00 0.00 O ATOM 1105 CB THR A 72 -5.607 10.980 -8.692 1.00 0.00 C ATOM 1106 OG1 THR A 72 -4.989 11.939 -7.824 1.00 0.00 O ATOM 1107 CG2 THR A 72 -6.952 11.504 -9.149 1.00 0.00 C ATOM 0 H THR A 72 -5.486 10.102 -5.953 1.00 0.00 H new ATOM 0 HA THR A 72 -6.524 9.049 -8.480 1.00 0.00 H new ATOM 0 HB THR A 72 -4.976 10.821 -9.566 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.621 12.201 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.816 12.455 -9.665 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.411 10.785 -9.828 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.599 11.650 -8.284 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.479 9.337 -7.171 1.00 0.00 N ATOM 1116 CA GLU A 73 -2.145 8.714 -7.130 1.00 0.00 C ATOM 1117 C GLU A 73 -1.557 8.825 -5.740 1.00 0.00 C ATOM 1118 O GLU A 73 -1.766 9.808 -5.041 1.00 0.00 O ATOM 1119 CB GLU A 73 -1.192 9.343 -8.149 1.00 0.00 C ATOM 1120 CG GLU A 73 0.098 8.547 -8.316 1.00 0.00 C ATOM 1121 CD GLU A 73 0.975 9.051 -9.443 1.00 0.00 C ATOM 1122 OE1 GLU A 73 0.577 10.007 -10.137 1.00 0.00 O ATOM 1123 OE2 GLU A 73 2.073 8.487 -9.643 1.00 0.00 O ATOM 0 H GLU A 73 -3.594 10.131 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.267 7.663 -7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.695 9.418 -9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.950 10.358 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.661 8.583 -7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.150 7.501 -8.499 1.00 0.00 H new ATOM 1130 N LEU A 74 -0.839 7.811 -5.342 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.138 7.819 -4.089 1.00 0.00 C ATOM 1132 C LEU A 74 1.175 7.109 -4.288 1.00 0.00 C ATOM 1133 O LEU A 74 1.187 5.990 -4.727 1.00 0.00 O ATOM 1134 CB LEU A 74 -1.021 7.079 -3.086 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.553 6.998 -1.657 1.00 0.00 C ATOM 1136 CD1 LEU A 74 -1.741 6.723 -0.774 1.00 0.00 C ATOM 1137 CD2 LEU A 74 0.480 5.916 -1.470 1.00 0.00 C ATOM 0 H LEU A 74 -0.724 6.952 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 74 0.066 8.826 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.002 7.555 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.159 6.061 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.088 7.947 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.416 6.662 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.467 7.529 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.201 5.779 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.793 5.888 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.052 4.952 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.343 6.124 -2.102 1.00 0.00 H new ATOM 1149 N SER A 75 2.272 7.739 -3.962 1.00 0.00 N ATOM 1150 CA SER A 75 3.559 7.059 -4.066 1.00 0.00 C ATOM 1151 C SER A 75 4.409 7.350 -2.859 1.00 0.00 C ATOM 1152 O SER A 75 4.685 8.500 -2.562 1.00 0.00 O ATOM 1153 CB SER A 75 4.305 7.516 -5.313 1.00 0.00 C ATOM 1154 OG SER A 75 3.630 7.141 -6.500 1.00 0.00 O ATOM 0 H SER A 75 2.314 8.702 -3.628 1.00 0.00 H new ATOM 0 HA SER A 75 3.366 5.988 -4.127 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.422 8.599 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.307 7.087 -5.314 1.00 0.00 H new ATOM 0 HG SER A 75 4.138 7.453 -7.278 1.00 0.00 H new ATOM 1160 N PHE A 76 4.848 6.318 -2.186 1.00 0.00 N ATOM 1161 CA PHE A 76 5.670 6.480 -1.008 1.00 0.00 C ATOM 1162 C PHE A 76 6.560 5.270 -0.821 1.00 0.00 C ATOM 1163 O PHE A 76 6.249 4.195 -1.322 1.00 0.00 O ATOM 1164 CB PHE A 76 4.786 6.823 0.189 1.00 0.00 C ATOM 1165 CG PHE A 76 4.109 5.669 0.874 1.00 0.00 C ATOM 1166 CD1 PHE A 76 3.004 5.045 0.311 1.00 0.00 C ATOM 1167 CD2 PHE A 76 4.575 5.219 2.098 1.00 0.00 C ATOM 1168 CE1 PHE A 76 2.386 3.990 0.955 1.00 0.00 C ATOM 1169 CE2 PHE A 76 3.959 4.165 2.746 1.00 0.00 C ATOM 1170 CZ PHE A 76 2.864 3.549 2.173 1.00 0.00 C ATOM 0 H PHE A 76 4.650 5.349 -2.433 1.00 0.00 H new ATOM 0 HA PHE A 76 6.355 7.320 -1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.396 7.347 0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.018 7.521 -0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.624 5.388 -0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.430 5.698 2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.529 3.510 0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.334 3.824 3.700 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.382 2.724 2.677 1.00 0.00 H new ATOM 1180 N GLU A 77 7.665 5.437 -0.123 1.00 0.00 N ATOM 1181 CA GLU A 77 8.584 4.325 0.067 1.00 0.00 C ATOM 1182 C GLU A 77 8.708 4.015 1.539 1.00 0.00 C ATOM 1183 O GLU A 77 8.866 4.910 2.376 1.00 0.00 O ATOM 1184 CB GLU A 77 9.972 4.623 -0.498 1.00 0.00 C ATOM 1185 CG GLU A 77 10.000 4.869 -1.993 1.00 0.00 C ATOM 1186 CD GLU A 77 11.376 5.245 -2.506 1.00 0.00 C ATOM 1187 OE1 GLU A 77 11.893 6.316 -2.118 1.00 0.00 O ATOM 1188 OE2 GLU A 77 11.936 4.491 -3.321 1.00 0.00 O ATOM 0 H GLU A 77 7.948 6.313 0.316 1.00 0.00 H new ATOM 0 HA GLU A 77 8.177 3.470 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.377 5.498 0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.632 3.787 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.658 3.972 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.297 5.665 -2.238 1.00 0.00 H new ATOM 1307 N VAL A 85 5.914 2.131 -3.167 1.00 0.00 N ATOM 1308 CA VAL A 85 4.617 1.543 -3.255 1.00 0.00 C ATOM 1309 C VAL A 85 3.596 2.622 -3.585 1.00 0.00 C ATOM 1310 O VAL A 85 3.478 3.627 -2.884 1.00 0.00 O ATOM 1311 CB VAL A 85 4.289 0.793 -1.943 1.00 0.00 C ATOM 1312 CG1 VAL A 85 5.165 -0.436 -1.822 1.00 0.00 C ATOM 1313 CG2 VAL A 85 4.510 1.675 -0.725 1.00 0.00 C ATOM 0 HA VAL A 85 4.587 0.806 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 85 3.238 0.508 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.930 -0.961 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.984 -1.097 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.213 -0.136 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.269 1.115 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.552 1.991 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.867 2.553 -0.790 1.00 0.00 H new ATOM 1323 N THR A 86 2.884 2.414 -4.675 1.00 0.00 N ATOM 1324 CA THR A 86 2.038 3.439 -5.244 1.00 0.00 C ATOM 1325 C THR A 86 0.586 2.985 -5.310 1.00 0.00 C ATOM 1326 O THR A 86 0.290 1.848 -5.633 1.00 0.00 O ATOM 1327 CB THR A 86 2.536 3.822 -6.662 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.855 4.369 -6.571 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.613 4.841 -7.339 1.00 0.00 C ATOM 0 H THR A 86 2.877 1.532 -5.188 1.00 0.00 H new ATOM 0 HA THR A 86 2.092 4.313 -4.595 1.00 0.00 H new ATOM 0 HB THR A 86 2.538 2.916 -7.269 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.803 5.348 -6.562 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.000 5.081 -8.330 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.612 4.420 -7.432 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.570 5.749 -6.737 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.322 3.871 -4.978 1.00 0.00 N ATOM 1338 CA PHE A 87 -1.727 3.576 -5.102 1.00 0.00 C ATOM 1339 C PHE A 87 -2.287 4.442 -6.207 1.00 0.00 C ATOM 1340 O PHE A 87 -2.040 5.641 -6.240 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.449 3.839 -3.763 1.00 0.00 C ATOM 1342 CG PHE A 87 -1.891 3.017 -2.626 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.236 1.823 -2.877 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.993 3.443 -1.310 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -0.691 1.076 -1.854 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -1.452 2.696 -0.283 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.795 1.511 -0.559 1.00 0.00 C ATOM 0 H PHE A 87 -0.112 4.803 -4.620 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.879 2.525 -5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.369 4.897 -3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.510 3.618 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.150 1.470 -3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.501 4.369 -1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.183 0.149 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.542 3.038 0.738 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.365 0.930 0.244 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.018 3.849 -7.126 1.00 0.00 N ATOM 1358 CA GLN A 88 -3.634 4.627 -8.173 1.00 0.00 C ATOM 1359 C GLN A 88 -5.133 4.529 -8.066 1.00 0.00 C ATOM 1360 O GLN A 88 -5.732 3.454 -8.020 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.107 4.228 -9.547 1.00 0.00 C ATOM 1362 CG GLN A 88 -1.837 4.978 -9.886 1.00 0.00 C ATOM 1363 CD GLN A 88 -1.258 4.611 -11.236 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -1.435 3.495 -11.721 1.00 0.00 O ATOM 1365 NE2 GLN A 88 -0.546 5.548 -11.844 1.00 0.00 N ATOM 0 H GLN A 88 -3.197 2.846 -7.168 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.364 5.676 -8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.915 3.155 -9.568 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.865 4.431 -10.303 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.041 6.049 -9.866 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.092 4.781 -9.115 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.424 6.461 -11.406 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.119 5.357 -12.751 1.00 0.00 H new ATOM 1374 N LEU A 89 -5.707 5.693 -8.001 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.030 5.874 -7.459 1.00 0.00 C ATOM 1376 C LEU A 89 -7.961 6.521 -8.496 1.00 0.00 C ATOM 1377 O LEU A 89 -7.534 7.399 -9.246 1.00 0.00 O ATOM 1378 CB LEU A 89 -6.873 6.721 -6.188 1.00 0.00 C ATOM 1379 CG LEU A 89 -5.524 6.554 -5.459 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -5.309 7.638 -4.416 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -5.451 5.202 -4.793 1.00 0.00 C ATOM 0 H LEU A 89 -5.269 6.556 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.496 4.921 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.000 7.771 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.677 6.466 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.739 6.639 -6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.348 7.485 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.318 8.615 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.107 7.593 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.493 5.099 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.260 5.109 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.547 4.420 -5.546 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.209 6.063 -8.578 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.174 6.661 -9.504 1.00 0.00 C ATOM 1395 C GLU A 90 -11.318 7.311 -8.754 1.00 0.00 C ATOM 1396 O GLU A 90 -11.956 6.666 -7.911 1.00 0.00 O ATOM 1397 CB GLU A 90 -10.751 5.626 -10.462 1.00 0.00 C ATOM 1398 CG GLU A 90 -11.995 6.114 -11.199 1.00 0.00 C ATOM 1399 CD GLU A 90 -11.680 7.164 -12.245 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -11.087 8.205 -11.897 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -11.999 6.934 -13.430 1.00 0.00 O ATOM 0 H GLU A 90 -9.574 5.289 -8.023 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.630 7.414 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.989 5.352 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -10.998 4.723 -9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.485 5.266 -11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.702 6.525 -10.478 1.00 0.00 H new ATOM 1408 N ASP A 91 -11.630 8.542 -9.150 1.00 0.00 N ATOM 1409 CA ASP A 91 -12.610 9.360 -8.443 1.00 0.00 C ATOM 1410 C ASP A 91 -13.941 9.257 -9.121 1.00 0.00 C ATOM 1411 O ASP A 91 -14.140 9.828 -10.193 1.00 0.00 O ATOM 1412 CB ASP A 91 -12.281 10.859 -8.450 1.00 0.00 C ATOM 1413 CG ASP A 91 -10.828 11.211 -8.710 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -10.356 10.983 -9.846 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -10.173 11.772 -7.809 1.00 0.00 O ATOM 0 H ASP A 91 -11.215 8.997 -9.963 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.607 8.983 -7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.895 11.344 -9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.572 11.281 -7.488 1.00 0.00 H new ATOM 1461 N LYS A 95 -18.577 4.692 -7.623 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.758 3.879 -6.797 1.00 0.00 C ATOM 1463 C LYS A 95 -16.358 3.992 -7.367 1.00 0.00 C ATOM 1464 O LYS A 95 -16.166 4.616 -8.401 1.00 0.00 O ATOM 1465 CB LYS A 95 -18.246 2.437 -6.908 1.00 0.00 C ATOM 1466 CG LYS A 95 -18.325 1.945 -8.357 1.00 0.00 C ATOM 1467 CD LYS A 95 -17.047 1.262 -8.811 1.00 0.00 C ATOM 1468 CE LYS A 95 -16.276 2.101 -9.826 1.00 0.00 C ATOM 1469 NZ LYS A 95 -16.914 2.102 -11.170 1.00 0.00 N ATOM 0 HA LYS A 95 -17.785 4.181 -5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.576 1.787 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.231 2.355 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -19.159 1.250 -8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.534 2.790 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.413 1.068 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.290 0.295 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.201 3.126 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.259 1.718 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.351 2.686 -11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.962 1.128 -11.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -17.875 2.493 -11.098 1.00 0.00 H new ATOM 1483 N THR A 96 -15.384 3.413 -6.732 1.00 0.00 N ATOM 1484 CA THR A 96 -14.038 3.864 -6.915 1.00 0.00 C ATOM 1485 C THR A 96 -13.228 2.847 -7.669 1.00 0.00 C ATOM 1486 O THR A 96 -13.310 1.645 -7.422 1.00 0.00 O ATOM 1487 CB THR A 96 -13.397 4.124 -5.547 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.209 3.547 -4.524 1.00 0.00 O ATOM 1489 CG2 THR A 96 -13.230 5.612 -5.282 1.00 0.00 C ATOM 0 H THR A 96 -15.495 2.631 -6.086 1.00 0.00 H new ATOM 0 HA THR A 96 -14.057 4.786 -7.496 1.00 0.00 H new ATOM 0 HB THR A 96 -12.407 3.667 -5.545 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.995 4.113 -4.372 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.773 5.758 -4.303 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.592 6.049 -6.050 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.206 6.097 -5.302 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.454 3.328 -8.608 1.00 0.00 N ATOM 1498 CA GLY A 97 -11.689 2.412 -9.418 1.00 0.00 C ATOM 1499 C GLY A 97 -10.290 2.288 -8.876 1.00 0.00 C ATOM 1500 O GLY A 97 -9.547 3.268 -8.856 1.00 0.00 O ATOM 0 H GLY A 97 -12.337 4.317 -8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.171 1.434 -9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.658 2.764 -10.449 1.00 0.00 H new ATOM 1504 N PHE A 98 -9.914 1.110 -8.402 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.642 0.997 -7.730 1.00 0.00 C ATOM 1506 C PHE A 98 -7.612 0.246 -8.552 1.00 0.00 C ATOM 1507 O PHE A 98 -7.835 -0.877 -9.006 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.755 0.340 -6.362 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.596 0.729 -5.503 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.575 1.972 -4.899 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.514 -0.110 -5.334 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.503 2.367 -4.136 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.433 0.285 -4.576 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.426 1.524 -3.975 1.00 0.00 C ATOM 0 H PHE A 98 -10.455 0.248 -8.469 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.307 2.026 -7.598 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.688 0.639 -5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.787 -0.744 -6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.412 2.642 -5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.514 -1.084 -5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.505 3.338 -3.663 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.590 -0.378 -4.453 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.579 1.833 -3.380 1.00 0.00 H new ATOM 1524 N THR A 99 -6.485 0.888 -8.739 1.00 0.00 N ATOM 1525 CA THR A 99 -5.324 0.252 -9.326 1.00 0.00 C ATOM 1526 C THR A 99 -4.160 0.392 -8.367 1.00 0.00 C ATOM 1527 O THR A 99 -3.724 1.499 -8.087 1.00 0.00 O ATOM 1528 CB THR A 99 -4.958 0.887 -10.681 1.00 0.00 C ATOM 1529 OG1 THR A 99 -6.120 0.953 -11.519 1.00 0.00 O ATOM 1530 CG2 THR A 99 -3.876 0.082 -11.380 1.00 0.00 C ATOM 0 H THR A 99 -6.343 1.867 -8.489 1.00 0.00 H new ATOM 0 HA THR A 99 -5.552 -0.799 -9.503 1.00 0.00 H new ATOM 0 HB THR A 99 -4.581 1.893 -10.496 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.881 1.359 -12.378 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.634 0.549 -12.335 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.984 0.051 -10.754 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.233 -0.933 -11.553 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.646 -0.698 -7.850 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.577 -0.578 -6.900 1.00 0.00 C ATOM 1540 C LEU A 100 -1.260 -1.016 -7.484 1.00 0.00 C ATOM 1541 O LEU A 100 -1.178 -1.988 -8.221 1.00 0.00 O ATOM 1542 CB LEU A 100 -2.872 -1.341 -5.615 1.00 0.00 C ATOM 1543 CG LEU A 100 -2.082 -0.833 -4.416 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -2.826 -1.118 -3.142 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -0.688 -1.431 -4.372 1.00 0.00 C ATOM 0 H LEU A 100 -3.942 -1.650 -8.065 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.500 0.480 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.937 -1.270 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.647 -2.397 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.970 0.246 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.249 -0.749 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.795 -0.619 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.975 -2.193 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.154 -1.046 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.760 -2.516 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.148 -1.161 -5.279 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.238 -0.274 -7.132 1.00 0.00 N ATOM 1558 CA ILE A 101 1.106 -0.562 -7.543 1.00 0.00 C ATOM 1559 C ILE A 101 1.961 -0.796 -6.304 1.00 0.00 C ATOM 1560 O ILE A 101 2.025 0.035 -5.411 1.00 0.00 O ATOM 1561 CB ILE A 101 1.719 0.631 -8.310 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.716 1.269 -9.301 1.00 0.00 C ATOM 1563 CG2 ILE A 101 2.978 0.194 -9.043 1.00 0.00 C ATOM 1564 CD1 ILE A 101 -0.260 2.232 -8.667 1.00 0.00 C ATOM 0 H ILE A 101 -0.322 0.556 -6.545 1.00 0.00 H new ATOM 0 HA ILE A 101 1.083 -1.439 -8.189 1.00 0.00 H new ATOM 0 HB ILE A 101 1.974 1.393 -7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.274 1.794 -10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.156 0.475 -9.794 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.400 1.044 -9.579 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.707 -0.179 -8.324 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.731 -0.596 -9.752 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.925 2.632 -9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.848 1.710 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.288 3.050 -8.199 1.00 0.00 H new ATOM 1576 N HIS A 102 2.606 -1.916 -6.222 1.00 0.00 N ATOM 1577 CA HIS A 102 3.609 -2.105 -5.206 1.00 0.00 C ATOM 1578 C HIS A 102 4.908 -2.354 -5.928 1.00 0.00 C ATOM 1579 O HIS A 102 5.097 -3.385 -6.570 1.00 0.00 O ATOM 1580 CB HIS A 102 3.180 -3.248 -4.273 1.00 0.00 C ATOM 1581 CG HIS A 102 2.726 -2.772 -2.931 1.00 0.00 C ATOM 1582 ND1 HIS A 102 2.996 -3.460 -1.760 1.00 0.00 N ATOM 1583 CD2 HIS A 102 2.056 -1.644 -2.562 1.00 0.00 C ATOM 1584 CE1 HIS A 102 2.519 -2.778 -0.735 1.00 0.00 C ATOM 1585 NE2 HIS A 102 1.949 -1.675 -1.192 1.00 0.00 N ATOM 0 H HIS A 102 2.462 -2.714 -6.840 1.00 0.00 H new ATOM 0 HA HIS A 102 3.736 -1.236 -4.561 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.374 -3.810 -4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.015 -3.936 -4.144 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.681 -0.874 -3.220 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.583 -3.071 0.302 1.00 0.00 H new ATOM 0 HE2 HIS A 102 1.501 -0.960 -0.618 1.00 0.00 H new ATOM 1881 N VAL A 122 8.322 -11.155 -2.748 1.00 0.00 N ATOM 1882 CA VAL A 122 7.619 -10.060 -2.097 1.00 0.00 C ATOM 1883 C VAL A 122 6.519 -9.496 -2.996 1.00 0.00 C ATOM 1884 O VAL A 122 5.420 -9.185 -2.531 1.00 0.00 O ATOM 1885 CB VAL A 122 8.574 -8.949 -1.649 1.00 0.00 C ATOM 1886 CG1 VAL A 122 9.207 -8.296 -2.836 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.852 -7.926 -0.805 1.00 0.00 C ATOM 0 HA VAL A 122 7.153 -10.472 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 122 9.358 -9.399 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.883 -7.509 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.768 -9.038 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.432 -7.864 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 122 8.551 -7.148 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.044 -7.480 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.439 -8.410 0.080 1.00 0.00 H new ATOM 1897 N ARG A 123 6.796 -9.396 -4.287 1.00 0.00 N ATOM 1898 CA ARG A 123 5.773 -8.970 -5.222 1.00 0.00 C ATOM 1899 C ARG A 123 4.709 -10.059 -5.322 1.00 0.00 C ATOM 1900 O ARG A 123 3.543 -9.781 -5.559 1.00 0.00 O ATOM 1901 CB ARG A 123 6.361 -8.616 -6.596 1.00 0.00 C ATOM 1902 CG ARG A 123 6.575 -9.793 -7.531 1.00 0.00 C ATOM 1903 CD ARG A 123 6.812 -9.309 -8.951 1.00 0.00 C ATOM 1904 NE ARG A 123 6.949 -10.406 -9.907 1.00 0.00 N ATOM 1905 CZ ARG A 123 6.205 -10.529 -11.008 1.00 0.00 C ATOM 1906 NH1 ARG A 123 5.258 -9.638 -11.279 1.00 0.00 N ATOM 1907 NH2 ARG A 123 6.418 -11.539 -11.841 1.00 0.00 N ATOM 0 H ARG A 123 7.704 -9.600 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 123 5.312 -8.055 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.698 -7.901 -7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.317 -8.114 -6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.428 -10.382 -7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 123 5.705 -10.449 -7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 123 5.984 -8.669 -9.255 1.00 0.00 H new ATOM 0 HD3 ARG A 123 7.713 -8.697 -8.976 1.00 0.00 H new ATOM 0 HE ARG A 123 7.654 -11.119 -9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 123 5.097 -8.856 -10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 123 4.692 -9.736 -12.122 1.00 0.00 H new ATOM 0 HH21 ARG A 123 7.150 -12.220 -11.640 1.00 0.00 H new ATOM 0 HH22 ARG A 123 5.850 -11.634 -12.683 1.00 0.00 H new ATOM 1921 N GLY A 124 5.125 -11.300 -5.093 1.00 0.00 N ATOM 1922 CA GLY A 124 4.192 -12.412 -5.055 1.00 0.00 C ATOM 1923 C GLY A 124 3.305 -12.346 -3.827 1.00 0.00 C ATOM 1924 O GLY A 124 2.152 -12.791 -3.844 1.00 0.00 O ATOM 0 H GLY A 124 6.099 -11.557 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.574 -12.402 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.743 -13.352 -5.058 1.00 0.00 H new ATOM 1928 N LYS A 125 3.842 -11.762 -2.761 1.00 0.00 N ATOM 1929 CA LYS A 125 3.090 -11.530 -1.543 1.00 0.00 C ATOM 1930 C LYS A 125 1.942 -10.612 -1.855 1.00 0.00 C ATOM 1931 O LYS A 125 0.822 -10.774 -1.373 1.00 0.00 O ATOM 1932 CB LYS A 125 3.988 -10.880 -0.509 1.00 0.00 C ATOM 1933 CG LYS A 125 5.287 -11.640 -0.352 1.00 0.00 C ATOM 1934 CD LYS A 125 5.061 -13.061 0.150 1.00 0.00 C ATOM 1935 CE LYS A 125 4.629 -13.089 1.608 1.00 0.00 C ATOM 1936 NZ LYS A 125 5.736 -12.717 2.530 1.00 0.00 N ATOM 0 H LYS A 125 4.809 -11.439 -2.721 1.00 0.00 H new ATOM 0 HA LYS A 125 2.717 -12.476 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.199 -9.852 -0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.471 -10.838 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.806 -11.672 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.936 -11.109 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.300 -13.545 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 125 5.979 -13.637 0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 125 3.794 -12.403 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.269 -14.087 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 5.451 -12.912 3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 6.583 -13.275 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.949 -11.704 2.426 1.00 0.00 H new ATOM 1950 N MET A 126 2.252 -9.659 -2.706 1.00 0.00 N ATOM 1951 CA MET A 126 1.283 -8.710 -3.183 1.00 0.00 C ATOM 1952 C MET A 126 0.391 -9.376 -4.214 1.00 0.00 C ATOM 1953 O MET A 126 -0.794 -9.080 -4.330 1.00 0.00 O ATOM 1954 CB MET A 126 2.014 -7.513 -3.795 1.00 0.00 C ATOM 1955 CG MET A 126 3.096 -6.967 -2.884 1.00 0.00 C ATOM 1956 SD MET A 126 4.394 -6.066 -3.721 1.00 0.00 S ATOM 1957 CE MET A 126 5.418 -5.685 -2.303 1.00 0.00 C ATOM 0 H MET A 126 3.189 -9.524 -3.086 1.00 0.00 H new ATOM 0 HA MET A 126 0.661 -8.361 -2.359 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.459 -7.810 -4.745 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.294 -6.724 -4.013 1.00 0.00 H new ATOM 0 HG2 MET A 126 2.634 -6.310 -2.147 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.543 -7.796 -2.336 1.00 0.00 H new ATOM 0 HE1 MET A 126 5.284 -4.639 -2.028 1.00 0.00 H new ATOM 0 HE2 MET A 126 5.130 -6.320 -1.465 1.00 0.00 H new ATOM 0 HE3 MET A 126 6.464 -5.863 -2.551 1.00 0.00 H new ATOM 1967 N ASP A 127 0.932 -10.360 -4.887 1.00 0.00 N ATOM 1968 CA ASP A 127 0.265 -10.914 -6.043 1.00 0.00 C ATOM 1969 C ASP A 127 -0.865 -11.852 -5.622 1.00 0.00 C ATOM 1970 O ASP A 127 -1.774 -12.134 -6.403 1.00 0.00 O ATOM 1971 CB ASP A 127 1.302 -11.634 -6.905 1.00 0.00 C ATOM 1972 CG ASP A 127 0.694 -12.399 -8.063 1.00 0.00 C ATOM 1973 OD1 ASP A 127 0.023 -11.768 -8.908 1.00 0.00 O ATOM 1974 OD2 ASP A 127 0.907 -13.625 -8.148 1.00 0.00 O ATOM 0 H ASP A 127 1.827 -10.793 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.191 -10.114 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.011 -10.903 -7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 127 1.867 -12.325 -6.279 1.00 0.00 H new ATOM 1979 N GLY A 128 -0.853 -12.255 -4.361 1.00 0.00 N ATOM 1980 CA GLY A 128 -1.969 -13.019 -3.827 1.00 0.00 C ATOM 1981 C GLY A 128 -2.616 -12.353 -2.621 1.00 0.00 C ATOM 1982 O GLY A 128 -3.829 -12.076 -2.603 1.00 0.00 O ATOM 0 H GLY A 128 -0.099 -12.071 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.718 -13.153 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.621 -14.013 -3.545 1.00 0.00 H new ATOM 1986 N GLY A 129 -1.803 -12.053 -1.621 1.00 0.00 N ATOM 1987 CA GLY A 129 -2.333 -11.560 -0.371 1.00 0.00 C ATOM 1988 C GLY A 129 -2.763 -10.118 -0.461 1.00 0.00 C ATOM 1989 O GLY A 129 -3.531 -9.640 0.370 1.00 0.00 O ATOM 0 H GLY A 129 -0.787 -12.142 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -3.184 -12.173 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.577 -11.664 0.408 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.296 -9.424 -1.486 1.00 0.00 N ATOM 1994 CA TRP A 130 -2.543 -8.008 -1.596 1.00 0.00 C ATOM 1995 C TRP A 130 -3.849 -7.744 -2.343 1.00 0.00 C ATOM 1996 O TRP A 130 -4.353 -6.636 -2.323 1.00 0.00 O ATOM 1997 CB TRP A 130 -1.358 -7.378 -2.293 1.00 0.00 C ATOM 1998 CG TRP A 130 -1.248 -5.907 -2.231 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -1.259 -5.090 -3.304 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -1.064 -5.069 -1.080 1.00 0.00 C ATOM 2001 NE1 TRP A 130 -1.126 -3.804 -2.908 1.00 0.00 N ATOM 2002 CE2 TRP A 130 -1.004 -3.753 -1.556 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -0.961 -5.287 0.297 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 -0.842 -2.656 -0.724 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 -0.795 -4.193 1.130 1.00 0.00 C ATOM 2006 CH2 TRP A 130 -0.740 -2.890 0.610 1.00 0.00 C ATOM 0 H TRP A 130 -1.747 -9.822 -2.248 1.00 0.00 H new ATOM 0 HA TRP A 130 -2.656 -7.563 -0.607 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -0.449 -7.804 -1.868 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -1.387 -7.672 -3.342 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -1.359 -5.415 -4.329 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -1.118 -2.995 -3.530 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -1.010 -6.287 0.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -0.799 -1.653 -1.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -0.707 -4.345 2.196 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -0.614 -2.056 1.285 1.00 0.00 H new ATOM 2017 N THR A 131 -4.406 -8.748 -3.019 1.00 0.00 N ATOM 2018 CA THR A 131 -5.787 -8.642 -3.447 1.00 0.00 C ATOM 2019 C THR A 131 -6.700 -9.019 -2.306 1.00 0.00 C ATOM 2020 O THR A 131 -7.794 -8.499 -2.182 1.00 0.00 O ATOM 2021 CB THR A 131 -6.140 -9.503 -4.657 1.00 0.00 C ATOM 2022 OG1 THR A 131 -5.420 -10.737 -4.620 1.00 0.00 O ATOM 2023 CG2 THR A 131 -5.856 -8.765 -5.956 1.00 0.00 C ATOM 0 H THR A 131 -3.934 -9.616 -3.273 1.00 0.00 H new ATOM 0 HA THR A 131 -5.923 -7.604 -3.750 1.00 0.00 H new ATOM 0 HB THR A 131 -7.208 -9.718 -4.616 1.00 0.00 H new ATOM 0 HG1 THR A 131 -5.658 -11.278 -5.401 1.00 0.00 H new ATOM 0 HG21 THR A 131 -6.117 -9.402 -6.801 1.00 0.00 H new ATOM 0 HG22 THR A 131 -6.450 -7.852 -5.993 1.00 0.00 H new ATOM 0 HG23 THR A 131 -4.797 -8.511 -6.006 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.269 -9.935 -1.472 1.00 0.00 N ATOM 2032 CA GLY A 132 -6.989 -10.128 -0.241 1.00 0.00 C ATOM 2033 C GLY A 132 -7.093 -8.809 0.493 1.00 0.00 C ATOM 2034 O GLY A 132 -8.187 -8.314 0.769 1.00 0.00 O ATOM 0 H GLY A 132 -5.457 -10.535 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -7.984 -10.521 -0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.478 -10.863 0.381 1.00 0.00 H new ATOM 2038 N ILE A 133 -5.944 -8.195 0.701 1.00 0.00 N ATOM 2039 CA ILE A 133 -5.863 -6.940 1.418 1.00 0.00 C ATOM 2040 C ILE A 133 -6.471 -5.770 0.630 1.00 0.00 C ATOM 2041 O ILE A 133 -7.382 -5.112 1.103 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.379 -6.643 1.706 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -3.854 -7.556 2.819 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -4.153 -5.179 2.047 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -2.387 -7.354 3.136 1.00 0.00 C ATOM 0 H ILE A 133 -5.044 -8.552 0.379 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.437 -7.038 2.339 1.00 0.00 H new ATOM 0 HB ILE A 133 -3.817 -6.851 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -4.438 -7.384 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -4.014 -8.595 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.094 -5.010 2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -4.470 -4.557 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -4.732 -4.918 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.090 -8.035 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -1.791 -7.555 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -2.223 -6.326 3.458 1.00 0.00 H new ATOM 2057 N VAL A 134 -6.008 -5.530 -0.581 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.488 -4.393 -1.344 1.00 0.00 C ATOM 2059 C VAL A 134 -7.776 -4.698 -2.081 1.00 0.00 C ATOM 2060 O VAL A 134 -8.731 -3.940 -2.016 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.430 -3.916 -2.338 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -5.894 -2.658 -3.027 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -4.146 -3.650 -1.615 1.00 0.00 C ATOM 0 H VAL A 134 -5.307 -6.100 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 134 -6.692 -3.600 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 134 -5.272 -4.692 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -5.132 -2.328 -3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -6.822 -2.858 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -6.064 -1.878 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -3.392 -3.310 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.306 -2.881 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -3.803 -4.566 -1.133 1.00 0.00 H new ATOM 2073 N ASN A 135 -7.845 -5.841 -2.721 1.00 0.00 N ATOM 2074 CA ASN A 135 -8.997 -6.114 -3.556 1.00 0.00 C ATOM 2075 C ASN A 135 -10.187 -6.381 -2.662 1.00 0.00 C ATOM 2076 O ASN A 135 -11.288 -5.884 -2.903 1.00 0.00 O ATOM 2077 CB ASN A 135 -8.712 -7.291 -4.511 1.00 0.00 C ATOM 2078 CG ASN A 135 -9.851 -7.621 -5.470 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -11.029 -7.579 -5.117 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -9.502 -7.948 -6.704 1.00 0.00 N ATOM 0 H ASN A 135 -7.142 -6.579 -2.685 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.218 -5.252 -4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -7.820 -7.061 -5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -8.486 -8.177 -3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -10.219 -8.174 -7.394 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -8.516 -7.974 -6.965 1.00 0.00 H new ATOM 2087 N GLU A 136 -9.972 -7.097 -1.576 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.077 -7.426 -0.745 1.00 0.00 C ATOM 2089 C GLU A 136 -11.202 -6.462 0.436 1.00 0.00 C ATOM 2090 O GLU A 136 -12.271 -5.925 0.671 1.00 0.00 O ATOM 2091 CB GLU A 136 -10.932 -8.887 -0.329 1.00 0.00 C ATOM 2092 CG GLU A 136 -11.579 -9.218 0.995 1.00 0.00 C ATOM 2093 CD GLU A 136 -11.320 -10.639 1.429 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -11.599 -11.566 0.644 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -10.858 -10.833 2.567 1.00 0.00 O ATOM 0 H GLU A 136 -9.065 -7.446 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 136 -12.014 -7.313 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.368 -9.519 -1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -9.872 -9.135 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -11.205 -8.535 1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -12.654 -9.055 0.920 1.00 0.00 H new ATOM 2102 N ARG A 137 -10.099 -6.157 1.111 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.155 -5.305 2.292 1.00 0.00 C ATOM 2104 C ARG A 137 -10.179 -3.829 1.947 1.00 0.00 C ATOM 2105 O ARG A 137 -10.753 -3.063 2.679 1.00 0.00 O ATOM 2106 CB ARG A 137 -9.056 -5.636 3.302 1.00 0.00 C ATOM 2107 CG ARG A 137 -8.782 -4.549 4.345 1.00 0.00 C ATOM 2108 CD ARG A 137 -10.022 -4.168 5.153 1.00 0.00 C ATOM 2109 NE ARG A 137 -10.549 -5.273 5.958 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.668 -5.191 6.692 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -12.316 -4.039 6.809 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -12.131 -6.255 7.331 1.00 0.00 N ATOM 0 H ARG A 137 -9.165 -6.483 0.864 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.106 -5.526 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.326 -6.556 3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.133 -5.837 2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.004 -4.895 5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.396 -3.662 3.844 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.777 -3.333 5.810 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.799 -3.821 4.472 1.00 0.00 H new ATOM 0 HE ARG A 137 -10.036 -6.154 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.964 -3.206 6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.166 -3.987 7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -11.636 -7.144 7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.983 -6.185 7.888 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.558 -3.393 0.873 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.646 -1.984 0.546 1.00 0.00 C ATOM 2128 C LEU A 138 -11.083 -1.659 0.243 1.00 0.00 C ATOM 2129 O LEU A 138 -11.594 -0.642 0.688 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.727 -1.623 -0.604 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.682 -0.159 -0.992 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.491 0.735 0.213 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.560 0.046 -1.968 1.00 0.00 C ATOM 0 H LEU A 138 -9.007 -3.965 0.233 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.313 -1.386 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.716 -1.940 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.030 -2.200 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.635 0.110 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.464 1.777 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.318 0.590 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.553 0.483 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.516 1.096 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.617 -0.243 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.731 -0.566 -2.853 1.00 0.00 H new ATOM 2145 N ARG A 139 -11.751 -2.565 -0.459 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.187 -2.458 -0.632 1.00 0.00 C ATOM 2147 C ARG A 139 -13.856 -2.560 0.732 1.00 0.00 C ATOM 2148 O ARG A 139 -14.887 -1.956 0.971 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.700 -3.551 -1.589 1.00 0.00 C ATOM 2150 CG ARG A 139 -15.149 -3.388 -2.067 1.00 0.00 C ATOM 2151 CD ARG A 139 -16.171 -3.690 -0.974 1.00 0.00 C ATOM 2152 NE ARG A 139 -17.506 -3.917 -1.528 1.00 0.00 N ATOM 2153 CZ ARG A 139 -18.593 -4.158 -0.802 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -18.506 -4.294 0.514 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -19.768 -4.283 -1.400 1.00 0.00 N ATOM 0 H ARG A 139 -11.324 -3.373 -0.912 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.434 -1.495 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -13.049 -3.578 -2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -13.607 -4.517 -1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.296 -2.369 -2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -15.324 -4.051 -2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -15.855 -4.570 -0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -16.206 -2.859 -0.269 1.00 0.00 H new ATOM 0 HE ARG A 139 -17.610 -3.888 -2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -17.600 -4.214 0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -19.345 -4.479 1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -19.836 -4.194 -2.414 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -20.605 -4.468 -0.847 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.269 -3.321 1.636 1.00 0.00 N ATOM 2170 CA LYS A 140 -13.844 -3.463 2.948 1.00 0.00 C ATOM 2171 C LYS A 140 -13.655 -2.242 3.849 1.00 0.00 C ATOM 2172 O LYS A 140 -14.579 -1.810 4.507 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.340 -4.735 3.598 1.00 0.00 C ATOM 2174 CG LYS A 140 -13.937 -5.929 2.907 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.661 -7.239 3.592 1.00 0.00 C ATOM 2176 CE LYS A 140 -12.174 -7.497 3.785 1.00 0.00 C ATOM 2177 NZ LYS A 140 -11.921 -8.862 4.320 1.00 0.00 N ATOM 0 H LYS A 140 -12.405 -3.842 1.484 1.00 0.00 H new ATOM 0 HA LYS A 140 -14.923 -3.535 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.252 -4.777 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -13.605 -4.744 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -15.016 -5.790 2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -13.551 -5.976 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -14.157 -7.249 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -14.093 -8.050 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.657 -7.377 2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.761 -6.755 4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.401 -8.792 5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -12.828 -9.345 4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -11.358 -9.405 3.635 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.490 -1.675 3.854 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.215 -0.511 4.668 1.00 0.00 C ATOM 2193 C ALA A 141 -13.011 0.682 4.165 1.00 0.00 C ATOM 2194 O ALA A 141 -13.364 1.574 4.936 1.00 0.00 O ATOM 2195 CB ALA A 141 -10.732 -0.223 4.673 1.00 0.00 C ATOM 0 H ALA A 141 -11.698 -1.997 3.299 1.00 0.00 H new ATOM 0 HA ALA A 141 -12.524 -0.708 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -10.534 0.655 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.196 -1.080 5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.394 -0.035 3.654 1.00 0.00 H new ATOM 2201 N VAL A 142 -13.297 0.688 2.867 1.00 0.00 N ATOM 2202 CA VAL A 142 -14.111 1.726 2.284 1.00 0.00 C ATOM 2203 C VAL A 142 -15.585 1.340 2.395 1.00 0.00 C ATOM 2204 O VAL A 142 -16.461 2.200 2.389 1.00 0.00 O ATOM 2205 CB VAL A 142 -13.732 1.994 0.809 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -12.278 2.425 0.707 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -13.981 0.793 -0.086 1.00 0.00 C ATOM 0 H VAL A 142 -12.973 -0.018 2.206 1.00 0.00 H new ATOM 0 HA VAL A 142 -13.932 2.649 2.835 1.00 0.00 H new ATOM 0 HB VAL A 142 -14.379 2.798 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.026 2.610 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -12.128 3.338 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.636 1.637 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.698 1.037 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.386 -0.051 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -15.038 0.529 -0.055 1.00 0.00 H new ATOM 2217 N GLU A 143 -15.845 0.036 2.552 1.00 0.00 N ATOM 2218 CA GLU A 143 -17.218 -0.473 2.642 1.00 0.00 C ATOM 2219 C GLU A 143 -17.337 -1.640 3.625 1.00 0.00 C ATOM 2220 O GLU A 143 -17.993 -1.532 4.663 1.00 0.00 O ATOM 2221 CB GLU A 143 -17.695 -0.963 1.278 1.00 0.00 C ATOM 2222 CG GLU A 143 -17.796 0.112 0.220 1.00 0.00 C ATOM 2223 CD GLU A 143 -18.902 1.114 0.502 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -20.075 0.700 0.587 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -18.606 2.320 0.630 1.00 0.00 O ATOM 0 H GLU A 143 -15.125 -0.683 2.619 1.00 0.00 H new ATOM 0 HA GLU A 143 -17.832 0.356 2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -17.013 -1.737 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -18.673 -1.430 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -16.844 0.638 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -17.973 -0.354 -0.749 1.00 0.00 H new ATOM 2232 N GLU A 144 -16.648 -2.731 3.288 1.00 0.00 N ATOM 2233 CA GLU A 144 -16.757 -4.029 3.983 1.00 0.00 C ATOM 2234 C GLU A 144 -18.179 -4.586 3.939 1.00 0.00 C ATOM 2235 O GLU A 144 -19.157 -3.866 4.139 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.266 -3.907 5.427 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.300 -5.213 6.204 1.00 0.00 C ATOM 2238 CD GLU A 144 -15.936 -5.029 7.660 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -14.729 -5.073 7.991 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -16.857 -4.841 8.484 1.00 0.00 O ATOM 0 H GLU A 144 -15.986 -2.745 2.513 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.119 -4.737 3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -15.245 -3.526 5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -16.878 -3.171 5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -17.297 -5.648 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -15.610 -5.922 5.747 1.00 0.00 H new