USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 846 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 65 LYS NZ :NH3+ 174:sc= 0.446 (180deg=0) USER MOD Set 1.2: A 68 SER OG : rot -70:sc= 0.423 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= 0.44 (180deg=0.209) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-1.6) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 100:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 19:sc= 1.15 USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00938) USER MOD Single : A 87 LYS NZ :NH3+ -123:sc= 0.528 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -6:sc= 1.28 USER MOD Single : A 96 MET CE :methyl 170:sc= -1.97 (180deg=-2.19) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot -50:sc= -6.66! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 0:sc= -5.08! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -179:sc= 0.0623 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -159:sc= 0.788 (180deg=0.525) USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 156:sc= 0.176 (180deg=-0.342) USER MOD ----------------------------------------------------------------- ATOM 148 N GLY A 31 -1.447 11.807 7.339 1.00 0.00 N ATOM 149 CA GLY A 31 -0.297 11.163 6.682 1.00 0.00 C ATOM 150 C GLY A 31 -0.562 10.204 5.509 1.00 0.00 C ATOM 151 O GLY A 31 0.280 10.163 4.614 1.00 0.00 O ATOM 0 HA2 GLY A 31 0.363 11.952 6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.253 10.610 7.444 1.00 0.00 H new ATOM 155 N VAL A 32 -1.681 9.444 5.477 1.00 0.00 N ATOM 156 CA VAL A 32 -1.914 8.403 4.396 1.00 0.00 C ATOM 157 C VAL A 32 -3.274 7.616 4.408 1.00 0.00 C ATOM 158 O VAL A 32 -3.893 7.499 5.460 1.00 0.00 O ATOM 159 CB VAL A 32 -0.792 7.268 4.496 1.00 0.00 C ATOM 160 CG1 VAL A 32 -0.862 6.358 5.740 1.00 0.00 C ATOM 161 CG2 VAL A 32 -0.671 6.266 3.319 1.00 0.00 C ATOM 0 H VAL A 32 -2.434 9.513 6.162 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.902 9.011 3.491 1.00 0.00 H new ATOM 0 HB VAL A 32 0.065 7.942 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.054 5.627 5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.761 6.964 6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.820 5.839 5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.130 5.556 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.611 5.728 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.446 6.809 2.401 1.00 0.00 H new ATOM 171 N LEU A 33 -3.714 7.071 3.244 1.00 0.00 N ATOM 172 CA LEU A 33 -4.703 5.921 3.203 1.00 0.00 C ATOM 173 C LEU A 33 -4.680 5.015 1.908 1.00 0.00 C ATOM 174 O LEU A 33 -3.620 4.912 1.269 1.00 0.00 O ATOM 175 CB LEU A 33 -5.910 5.784 4.219 1.00 0.00 C ATOM 176 CG LEU A 33 -5.867 4.554 5.195 1.00 0.00 C ATOM 177 CD1 LEU A 33 -4.710 4.599 6.211 1.00 0.00 C ATOM 178 CD2 LEU A 33 -7.153 4.406 6.018 1.00 0.00 C ATOM 0 H LEU A 33 -3.414 7.393 2.324 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.191 5.396 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.957 6.694 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.835 5.732 3.645 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.732 3.711 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.750 3.715 6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.759 4.620 5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.801 5.494 6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.067 3.540 6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.306 5.303 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.001 4.270 5.347 1.00 0.00 H new ATOM 190 N LYS A 34 -5.778 4.307 1.551 1.00 0.00 N ATOM 191 CA LYS A 34 -5.748 3.205 0.553 1.00 0.00 C ATOM 192 C LYS A 34 -6.835 3.355 -0.575 1.00 0.00 C ATOM 193 O LYS A 34 -8.038 3.389 -0.300 1.00 0.00 O ATOM 194 CB LYS A 34 -5.888 1.973 1.522 1.00 0.00 C ATOM 195 CG LYS A 34 -5.821 0.526 0.991 1.00 0.00 C ATOM 196 CD LYS A 34 -7.202 -0.078 0.651 1.00 0.00 C ATOM 197 CE LYS A 34 -7.914 -0.659 1.885 1.00 0.00 C ATOM 198 NZ LYS A 34 -9.238 -1.187 1.507 1.00 0.00 N ATOM 0 H LYS A 34 -6.704 4.480 1.942 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.862 3.146 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.108 2.071 2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.843 2.079 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.196 0.505 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.333 -0.102 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.830 0.691 0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.077 -0.863 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.309 -1.453 2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.026 0.113 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.709 -1.577 2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.817 -0.420 1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.122 -1.937 0.796 1.00 0.00 H new ATOM 211 N VAL A 35 -6.410 3.410 -1.856 1.00 0.00 N ATOM 212 CA VAL A 35 -7.332 3.589 -3.038 1.00 0.00 C ATOM 213 C VAL A 35 -7.646 2.188 -3.679 1.00 0.00 C ATOM 214 O VAL A 35 -6.831 1.755 -4.498 1.00 0.00 O ATOM 215 CB VAL A 35 -6.676 4.534 -4.117 1.00 0.00 C ATOM 216 CG1 VAL A 35 -7.661 5.013 -5.205 1.00 0.00 C ATOM 217 CG2 VAL A 35 -5.891 5.749 -3.601 1.00 0.00 C ATOM 0 H VAL A 35 -5.427 3.334 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.258 4.049 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.940 3.853 -4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.138 5.658 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.067 4.150 -5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.475 5.569 -4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.494 6.312 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.553 6.389 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.068 5.410 -2.972 1.00 0.00 H new ATOM 227 N ILE A 36 -8.778 1.505 -3.365 1.00 0.00 N ATOM 228 CA ILE A 36 -9.045 0.088 -3.854 1.00 0.00 C ATOM 229 C ILE A 36 -8.986 -0.164 -5.413 1.00 0.00 C ATOM 230 O ILE A 36 -9.605 0.574 -6.183 1.00 0.00 O ATOM 231 CB ILE A 36 -10.184 -0.713 -3.077 1.00 0.00 C ATOM 232 CG1 ILE A 36 -9.621 -1.774 -2.075 1.00 0.00 C ATOM 233 CG2 ILE A 36 -11.237 -1.441 -3.952 1.00 0.00 C ATOM 234 CD1 ILE A 36 -8.780 -2.936 -2.658 1.00 0.00 C ATOM 0 H ILE A 36 -9.523 1.889 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.128 -0.403 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.684 0.104 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.008 -1.251 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.464 -2.207 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.956 -1.948 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.757 -0.714 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.739 -2.173 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.457 -3.592 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.384 -3.503 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.906 -2.532 -3.169 1.00 0.00 H new ATOM 246 N LYS A 37 -8.270 -1.228 -5.861 1.00 0.00 N ATOM 247 CA LYS A 37 -8.172 -1.581 -7.307 1.00 0.00 C ATOM 248 C LYS A 37 -8.665 -3.044 -7.558 1.00 0.00 C ATOM 249 O LYS A 37 -9.728 -3.261 -8.144 1.00 0.00 O ATOM 250 CB LYS A 37 -6.722 -1.258 -7.771 1.00 0.00 C ATOM 251 CG LYS A 37 -6.464 -1.483 -9.273 1.00 0.00 C ATOM 252 CD LYS A 37 -5.020 -1.135 -9.676 1.00 0.00 C ATOM 253 CE LYS A 37 -4.757 -1.428 -11.159 1.00 0.00 C ATOM 254 NZ LYS A 37 -3.352 -1.111 -11.475 1.00 0.00 N ATOM 0 H LYS A 37 -7.753 -1.856 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.841 -0.984 -7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.500 -0.218 -7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.026 -1.873 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.668 -2.524 -9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.158 -0.875 -9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.830 -0.081 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.323 -1.707 -9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.964 -2.476 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.425 -0.835 -11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.056 -1.645 -12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.259 -0.092 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.748 -1.372 -10.670 1.00 0.00 H new ATOM 267 N ARG A 38 -7.881 -4.038 -7.121 1.00 0.00 N ATOM 268 CA ARG A 38 -8.215 -5.474 -7.254 1.00 0.00 C ATOM 269 C ARG A 38 -8.442 -5.961 -5.773 1.00 0.00 C ATOM 270 O ARG A 38 -7.469 -6.209 -5.053 1.00 0.00 O ATOM 271 CB ARG A 38 -7.074 -6.203 -8.012 1.00 0.00 C ATOM 272 CG ARG A 38 -6.956 -5.837 -9.519 1.00 0.00 C ATOM 273 CD ARG A 38 -5.985 -6.708 -10.341 1.00 0.00 C ATOM 274 NE ARG A 38 -6.499 -8.093 -10.540 1.00 0.00 N ATOM 275 CZ ARG A 38 -7.341 -8.495 -11.484 1.00 0.00 C ATOM 276 NH1 ARG A 38 -7.830 -7.724 -12.409 1.00 0.00 N ATOM 277 NH2 ARG A 38 -7.699 -9.730 -11.469 1.00 0.00 N ATOM 0 H ARG A 38 -6.986 -3.873 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.107 -5.683 -7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.127 -5.975 -7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.228 -7.279 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.946 -5.904 -9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.639 -4.797 -9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.816 -6.242 -11.312 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.020 -6.750 -9.835 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.171 -8.803 -9.885 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.570 -6.738 -12.441 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.473 -8.105 -13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.337 -10.357 -10.750 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.345 -10.082 -12.176 1.00 0.00 H new ATOM 290 N GLU A 39 -9.697 -6.014 -5.272 1.00 0.00 N ATOM 291 CA GLU A 39 -10.011 -6.451 -3.872 1.00 0.00 C ATOM 292 C GLU A 39 -9.495 -7.905 -3.485 1.00 0.00 C ATOM 293 O GLU A 39 -9.199 -8.719 -4.364 1.00 0.00 O ATOM 294 CB GLU A 39 -11.560 -6.408 -3.683 1.00 0.00 C ATOM 295 CG GLU A 39 -12.305 -5.055 -3.867 1.00 0.00 C ATOM 296 CD GLU A 39 -12.734 -4.699 -5.294 1.00 0.00 C ATOM 297 OE1 GLU A 39 -13.842 -4.947 -5.753 1.00 0.00 O ATOM 298 OE2 GLU A 39 -11.753 -4.069 -5.994 1.00 0.00 O ATOM 0 H GLU A 39 -10.523 -5.759 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.481 -5.763 -3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.997 -7.122 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.779 -6.770 -2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.194 -5.067 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.661 -4.258 -3.495 1.00 0.00 H new ATOM 306 N GLY A 40 -9.402 -8.262 -2.183 1.00 0.00 N ATOM 307 CA GLY A 40 -8.940 -9.603 -1.754 1.00 0.00 C ATOM 308 C GLY A 40 -9.976 -10.756 -1.763 1.00 0.00 C ATOM 309 O GLY A 40 -11.135 -10.601 -2.152 1.00 0.00 O ATOM 0 H GLY A 40 -9.641 -7.640 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.109 -9.893 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.545 -9.514 -0.742 1.00 0.00 H new ATOM 313 N THR A 41 -9.543 -11.922 -1.270 1.00 0.00 N ATOM 314 CA THR A 41 -10.401 -13.156 -1.171 1.00 0.00 C ATOM 315 C THR A 41 -11.642 -13.046 -0.219 1.00 0.00 C ATOM 316 O THR A 41 -12.725 -13.551 -0.522 1.00 0.00 O ATOM 317 CB THR A 41 -9.554 -14.415 -0.789 1.00 0.00 C ATOM 318 OG1 THR A 41 -9.018 -14.336 0.530 1.00 0.00 O ATOM 319 CG2 THR A 41 -8.360 -14.697 -1.700 1.00 0.00 C ATOM 0 H THR A 41 -8.593 -12.059 -0.923 1.00 0.00 H new ATOM 0 HA THR A 41 -10.810 -13.264 -2.176 1.00 0.00 H new ATOM 0 HB THR A 41 -10.285 -15.217 -0.890 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.499 -15.145 0.721 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.839 -15.589 -1.351 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.710 -14.857 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.678 -13.847 -1.680 1.00 0.00 H new ATOM 327 N GLY A 42 -11.441 -12.449 0.962 1.00 0.00 N ATOM 328 CA GLY A 42 -12.499 -12.189 1.963 1.00 0.00 C ATOM 329 C GLY A 42 -12.463 -12.936 3.307 1.00 0.00 C ATOM 330 O GLY A 42 -13.455 -13.545 3.704 1.00 0.00 O ATOM 0 H GLY A 42 -10.521 -12.124 1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.488 -11.121 2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.457 -12.408 1.492 1.00 0.00 H new ATOM 334 N THR A 43 -11.336 -12.853 4.020 1.00 0.00 N ATOM 335 CA THR A 43 -11.165 -13.483 5.359 1.00 0.00 C ATOM 336 C THR A 43 -10.448 -12.512 6.344 1.00 0.00 C ATOM 337 O THR A 43 -11.054 -12.080 7.326 1.00 0.00 O ATOM 338 CB THR A 43 -10.404 -14.841 5.264 1.00 0.00 C ATOM 339 OG1 THR A 43 -9.125 -14.943 4.653 1.00 0.00 O ATOM 340 CG2 THR A 43 -11.208 -15.931 4.532 1.00 0.00 C ATOM 0 H THR A 43 -10.509 -12.350 3.697 1.00 0.00 H new ATOM 0 HA THR A 43 -12.161 -13.693 5.750 1.00 0.00 H new ATOM 0 HB THR A 43 -10.264 -14.957 6.339 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.816 -15.872 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.626 -16.852 4.498 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.143 -16.112 5.063 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.426 -15.602 3.516 1.00 0.00 H new ATOM 348 N GLU A 44 -9.165 -12.172 6.088 1.00 0.00 N ATOM 349 CA GLU A 44 -8.356 -11.334 7.004 1.00 0.00 C ATOM 350 C GLU A 44 -7.644 -10.064 6.439 1.00 0.00 C ATOM 351 O GLU A 44 -7.420 -9.851 5.238 1.00 0.00 O ATOM 352 CB GLU A 44 -7.321 -12.319 7.651 1.00 0.00 C ATOM 353 CG GLU A 44 -7.995 -13.114 8.780 1.00 0.00 C ATOM 354 CD GLU A 44 -7.080 -13.865 9.737 1.00 0.00 C ATOM 355 OE1 GLU A 44 -6.424 -13.327 10.619 1.00 0.00 O ATOM 356 OE2 GLU A 44 -7.092 -15.209 9.526 1.00 0.00 O ATOM 0 H GLU A 44 -8.664 -12.467 5.250 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.054 -10.868 7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.933 -13.001 6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.471 -11.761 8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.603 -12.424 9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.676 -13.834 8.327 1.00 0.00 H new ATOM 364 N THR A 45 -7.275 -9.255 7.445 1.00 0.00 N ATOM 365 CA THR A 45 -6.503 -7.982 7.295 1.00 0.00 C ATOM 366 C THR A 45 -5.184 -8.063 8.161 1.00 0.00 C ATOM 367 O THR A 45 -5.258 -8.595 9.278 1.00 0.00 O ATOM 368 CB THR A 45 -7.317 -6.712 7.687 1.00 0.00 C ATOM 369 OG1 THR A 45 -7.789 -6.790 9.030 1.00 0.00 O ATOM 370 CG2 THR A 45 -8.525 -6.414 6.786 1.00 0.00 C ATOM 0 H THR A 45 -7.505 -9.462 8.417 1.00 0.00 H new ATOM 0 HA THR A 45 -6.264 -7.879 6.237 1.00 0.00 H new ATOM 0 HB THR A 45 -6.601 -5.900 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.294 -5.979 9.247 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.028 -5.513 7.137 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.186 -6.264 5.761 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.220 -7.253 6.819 1.00 0.00 H new ATOM 378 N PRO A 46 -3.987 -7.540 7.761 1.00 0.00 N ATOM 379 CA PRO A 46 -2.730 -7.692 8.544 1.00 0.00 C ATOM 380 C PRO A 46 -2.687 -7.100 10.009 1.00 0.00 C ATOM 381 O PRO A 46 -2.855 -5.886 10.169 1.00 0.00 O ATOM 382 CB PRO A 46 -1.687 -6.988 7.661 1.00 0.00 C ATOM 383 CG PRO A 46 -2.243 -7.113 6.259 1.00 0.00 C ATOM 384 CD PRO A 46 -3.744 -6.949 6.432 1.00 0.00 C ATOM 0 HA PRO A 46 -2.573 -8.752 8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.562 -5.944 7.948 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.709 -7.462 7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.833 -6.348 5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.997 -8.079 5.819 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.043 -5.902 6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.300 -7.468 5.651 1.00 0.00 H new ATOM 392 N MET A 47 -2.458 -7.884 11.089 1.00 0.00 N ATOM 393 CA MET A 47 -2.315 -7.325 12.462 1.00 0.00 C ATOM 394 C MET A 47 -0.815 -6.967 12.764 1.00 0.00 C ATOM 395 O MET A 47 0.112 -7.365 12.040 1.00 0.00 O ATOM 396 CB MET A 47 -2.947 -8.318 13.482 1.00 0.00 C ATOM 397 CG MET A 47 -2.290 -9.712 13.608 1.00 0.00 C ATOM 398 SD MET A 47 -2.753 -10.507 15.159 1.00 0.00 S ATOM 399 CE MET A 47 -1.438 -9.893 16.227 1.00 0.00 C ATOM 0 H MET A 47 -2.368 -8.899 11.041 1.00 0.00 H new ATOM 0 HA MET A 47 -2.858 -6.384 12.552 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.933 -7.847 14.465 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.993 -8.460 13.212 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.594 -10.338 12.769 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.206 -9.613 13.555 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.571 -10.290 17.233 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.472 -10.213 15.836 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.474 -8.804 16.259 1.00 0.00 H new ATOM 409 N ILE A 48 -0.549 -6.218 13.855 1.00 0.00 N ATOM 410 CA ILE A 48 0.843 -5.823 14.229 1.00 0.00 C ATOM 411 C ILE A 48 1.770 -7.073 14.477 1.00 0.00 C ATOM 412 O ILE A 48 1.412 -8.040 15.156 1.00 0.00 O ATOM 413 CB ILE A 48 0.859 -4.683 15.322 1.00 0.00 C ATOM 414 CG1 ILE A 48 1.487 -3.365 14.784 1.00 0.00 C ATOM 415 CG2 ILE A 48 1.484 -5.056 16.689 1.00 0.00 C ATOM 416 CD1 ILE A 48 3.004 -3.320 14.536 1.00 0.00 C ATOM 0 H ILE A 48 -1.266 -5.873 14.493 1.00 0.00 H new ATOM 0 HA ILE A 48 1.319 -5.344 13.373 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.200 -4.529 15.528 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.991 -3.121 13.845 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.243 -2.570 15.489 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.439 -4.196 17.357 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.930 -5.886 17.128 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.524 -5.350 16.546 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.283 -2.334 14.163 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.531 -3.517 15.469 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.275 -4.077 13.800 1.00 0.00 H new ATOM 428 N GLY A 49 2.951 -7.022 13.866 1.00 0.00 N ATOM 429 CA GLY A 49 3.922 -8.157 13.877 1.00 0.00 C ATOM 430 C GLY A 49 3.756 -9.291 12.818 1.00 0.00 C ATOM 431 O GLY A 49 4.549 -10.237 12.850 1.00 0.00 O ATOM 0 H GLY A 49 3.278 -6.207 13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.922 -7.739 13.760 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.882 -8.617 14.864 1.00 0.00 H new ATOM 435 N ASP A 50 2.793 -9.235 11.872 1.00 0.00 N ATOM 436 CA ASP A 50 2.591 -10.300 10.849 1.00 0.00 C ATOM 437 C ASP A 50 3.670 -10.288 9.717 1.00 0.00 C ATOM 438 O ASP A 50 4.088 -9.212 9.275 1.00 0.00 O ATOM 439 CB ASP A 50 1.181 -10.082 10.223 1.00 0.00 C ATOM 440 CG ASP A 50 -0.057 -10.653 10.909 1.00 0.00 C ATOM 441 OD1 ASP A 50 -1.182 -10.529 10.437 1.00 0.00 O ATOM 442 OD2 ASP A 50 0.205 -11.341 12.053 1.00 0.00 O ATOM 0 H ASP A 50 2.136 -8.459 11.791 1.00 0.00 H new ATOM 0 HA ASP A 50 2.680 -11.268 11.342 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.032 -9.006 10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.209 -10.490 9.213 1.00 0.00 H new ATOM 448 N ARG A 51 4.085 -11.473 9.216 1.00 0.00 N ATOM 449 CA ARG A 51 5.076 -11.554 8.095 1.00 0.00 C ATOM 450 C ARG A 51 4.287 -11.486 6.757 1.00 0.00 C ATOM 451 O ARG A 51 3.591 -12.413 6.357 1.00 0.00 O ATOM 452 CB ARG A 51 6.016 -12.789 8.227 1.00 0.00 C ATOM 453 CG ARG A 51 7.518 -12.424 8.209 1.00 0.00 C ATOM 454 CD ARG A 51 8.054 -11.909 6.861 1.00 0.00 C ATOM 455 NE ARG A 51 9.423 -11.382 7.093 1.00 0.00 N ATOM 456 CZ ARG A 51 10.227 -10.888 6.161 1.00 0.00 C ATOM 457 NH1 ARG A 51 9.938 -10.825 4.898 1.00 0.00 N ATOM 458 NH2 ARG A 51 11.369 -10.439 6.542 1.00 0.00 N ATOM 0 H ARG A 51 3.761 -12.378 9.557 1.00 0.00 H new ATOM 0 HA ARG A 51 5.763 -10.709 8.129 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.788 -13.312 9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.809 -13.482 7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.699 -11.663 8.968 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.092 -13.304 8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.073 -12.712 6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.405 -11.128 6.464 1.00 0.00 H new ATOM 0 HE ARG A 51 9.775 -11.402 8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.039 -11.170 4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.610 -10.430 4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.626 -10.471 7.528 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.018 -10.050 5.858 1.00 0.00 H new ATOM 471 N VAL A 52 4.420 -10.337 6.115 1.00 0.00 N ATOM 472 CA VAL A 52 3.596 -9.853 4.992 1.00 0.00 C ATOM 473 C VAL A 52 4.336 -9.991 3.625 1.00 0.00 C ATOM 474 O VAL A 52 5.409 -9.414 3.452 1.00 0.00 O ATOM 475 CB VAL A 52 3.364 -8.383 5.552 1.00 0.00 C ATOM 476 CG1 VAL A 52 3.295 -7.253 4.537 1.00 0.00 C ATOM 477 CG2 VAL A 52 2.176 -8.317 6.535 1.00 0.00 C ATOM 0 H VAL A 52 5.147 -9.668 6.371 1.00 0.00 H new ATOM 0 HA VAL A 52 2.675 -10.380 4.745 1.00 0.00 H new ATOM 0 HB VAL A 52 4.295 -8.190 6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.134 -6.308 5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.231 -7.207 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.471 -7.434 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.055 -7.294 6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.265 -8.634 6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.367 -8.976 7.382 1.00 0.00 H new ATOM 487 N PHE A 53 3.760 -10.690 2.633 1.00 0.00 N ATOM 488 CA PHE A 53 4.406 -10.953 1.321 1.00 0.00 C ATOM 489 C PHE A 53 3.626 -10.141 0.223 1.00 0.00 C ATOM 490 O PHE A 53 2.472 -10.433 -0.112 1.00 0.00 O ATOM 491 CB PHE A 53 4.396 -12.495 1.117 1.00 0.00 C ATOM 492 CG PHE A 53 5.046 -13.383 2.207 1.00 0.00 C ATOM 493 CD1 PHE A 53 6.424 -13.603 2.206 1.00 0.00 C ATOM 494 CD2 PHE A 53 4.271 -13.911 3.251 1.00 0.00 C ATOM 495 CE1 PHE A 53 7.027 -14.322 3.236 1.00 0.00 C ATOM 496 CE2 PHE A 53 4.873 -14.631 4.279 1.00 0.00 C ATOM 497 CZ PHE A 53 6.250 -14.834 4.272 1.00 0.00 C ATOM 0 H PHE A 53 2.827 -11.094 2.712 1.00 0.00 H new ATOM 0 HA PHE A 53 5.443 -10.623 1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.358 -12.809 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.896 -12.709 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.028 -13.213 1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.202 -13.758 3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.095 -14.482 3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.272 -15.032 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.717 -15.390 5.072 1.00 0.00 H new ATOM 507 N VAL A 54 4.275 -9.103 -0.312 1.00 0.00 N ATOM 508 CA VAL A 54 3.669 -8.102 -1.253 1.00 0.00 C ATOM 509 C VAL A 54 4.339 -7.988 -2.651 1.00 0.00 C ATOM 510 O VAL A 54 5.476 -8.404 -2.881 1.00 0.00 O ATOM 511 CB VAL A 54 3.785 -6.658 -0.586 1.00 0.00 C ATOM 512 CG1 VAL A 54 2.773 -6.472 0.527 1.00 0.00 C ATOM 513 CG2 VAL A 54 5.196 -6.192 -0.188 1.00 0.00 C ATOM 0 H VAL A 54 5.257 -8.914 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 54 2.650 -8.453 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 54 3.534 -5.978 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.883 -5.476 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.766 -6.584 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.941 -7.221 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.140 -5.197 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.618 -6.888 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.832 -6.161 -1.073 1.00 0.00 H new ATOM 523 N HIS A 55 3.614 -7.350 -3.579 1.00 0.00 N ATOM 524 CA HIS A 55 4.257 -6.867 -4.859 1.00 0.00 C ATOM 525 C HIS A 55 4.043 -5.338 -4.945 1.00 0.00 C ATOM 526 O HIS A 55 2.890 -4.897 -4.994 1.00 0.00 O ATOM 527 CB HIS A 55 3.952 -7.560 -6.231 1.00 0.00 C ATOM 528 CG HIS A 55 4.812 -8.753 -6.624 1.00 0.00 C ATOM 529 ND1 HIS A 55 6.193 -8.774 -6.552 1.00 0.00 N ATOM 530 CD2 HIS A 55 4.351 -9.814 -7.417 1.00 0.00 C ATOM 531 CE1 HIS A 55 6.439 -9.928 -7.257 1.00 0.00 C ATOM 532 NE2 HIS A 55 5.397 -10.643 -7.778 1.00 0.00 N ATOM 0 H HIS A 55 2.617 -7.150 -3.497 1.00 0.00 H new ATOM 0 HA HIS A 55 5.295 -7.178 -4.743 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.912 -7.885 -6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.042 -6.808 -7.015 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.321 -9.963 -7.706 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.454 -10.269 -7.399 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.392 -11.528 -8.284 1.00 0.00 H new ATOM 540 N TYR A 56 5.134 -4.534 -4.945 1.00 0.00 N ATOM 541 CA TYR A 56 4.994 -3.050 -4.985 1.00 0.00 C ATOM 542 C TYR A 56 5.538 -2.371 -6.302 1.00 0.00 C ATOM 543 O TYR A 56 6.497 -2.808 -6.945 1.00 0.00 O ATOM 544 CB TYR A 56 5.502 -2.273 -3.725 1.00 0.00 C ATOM 545 CG TYR A 56 6.962 -1.823 -3.666 1.00 0.00 C ATOM 546 CD1 TYR A 56 7.323 -0.581 -4.187 1.00 0.00 C ATOM 547 CD2 TYR A 56 7.904 -2.577 -2.988 1.00 0.00 C ATOM 548 CE1 TYR A 56 8.583 -0.056 -3.937 1.00 0.00 C ATOM 549 CE2 TYR A 56 9.167 -2.049 -2.727 1.00 0.00 C ATOM 550 CZ TYR A 56 9.501 -0.780 -3.187 1.00 0.00 C ATOM 551 OH TYR A 56 10.703 -0.220 -2.856 1.00 0.00 O ATOM 0 H TYR A 56 6.096 -4.871 -4.919 1.00 0.00 H new ATOM 0 HA TYR A 56 3.908 -2.952 -4.982 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.880 -1.385 -3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.317 -2.902 -2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.619 -0.025 -4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.660 -3.577 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.850 0.916 -4.326 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.887 -2.626 -2.167 1.00 0.00 H new ATOM 0 HH TYR A 56 11.227 -0.859 -2.329 1.00 0.00 H new ATOM 561 N THR A 57 4.927 -1.229 -6.607 1.00 0.00 N ATOM 562 CA THR A 57 5.438 -0.215 -7.591 1.00 0.00 C ATOM 563 C THR A 57 5.364 1.172 -6.862 1.00 0.00 C ATOM 564 O THR A 57 4.507 1.355 -6.001 1.00 0.00 O ATOM 565 CB THR A 57 4.691 -0.175 -8.954 1.00 0.00 C ATOM 566 OG1 THR A 57 4.614 -1.480 -9.511 1.00 0.00 O ATOM 567 CG2 THR A 57 5.438 0.691 -9.984 1.00 0.00 C ATOM 0 H THR A 57 4.042 -0.955 -6.180 1.00 0.00 H new ATOM 0 HA THR A 57 6.454 -0.490 -7.875 1.00 0.00 H new ATOM 0 HB THR A 57 3.703 0.239 -8.754 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.140 -1.442 -10.368 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.886 0.695 -10.924 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.523 1.711 -9.609 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.434 0.281 -10.150 1.00 0.00 H new ATOM 575 N GLY A 58 6.225 2.160 -7.133 1.00 0.00 N ATOM 576 CA GLY A 58 6.143 3.479 -6.447 1.00 0.00 C ATOM 577 C GLY A 58 6.709 4.701 -7.217 1.00 0.00 C ATOM 578 O GLY A 58 7.753 4.660 -7.868 1.00 0.00 O ATOM 0 H GLY A 58 6.982 2.085 -7.812 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.097 3.678 -6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.671 3.402 -5.496 1.00 0.00 H new ATOM 582 N TRP A 59 5.956 5.796 -7.087 1.00 0.00 N ATOM 583 CA TRP A 59 6.174 7.098 -7.766 1.00 0.00 C ATOM 584 C TRP A 59 6.038 8.351 -6.855 1.00 0.00 C ATOM 585 O TRP A 59 5.268 8.360 -5.892 1.00 0.00 O ATOM 586 CB TRP A 59 5.198 7.376 -8.959 1.00 0.00 C ATOM 587 CG TRP A 59 4.760 6.212 -9.851 1.00 0.00 C ATOM 588 CD1 TRP A 59 5.273 6.075 -11.143 1.00 0.00 C ATOM 589 CD2 TRP A 59 3.929 5.109 -9.641 1.00 0.00 C ATOM 590 NE1 TRP A 59 4.846 4.882 -11.753 1.00 0.00 N ATOM 591 CE2 TRP A 59 4.005 4.310 -10.811 1.00 0.00 C ATOM 592 CE3 TRP A 59 3.154 4.657 -8.522 1.00 0.00 C ATOM 593 CZ2 TRP A 59 3.332 3.074 -10.864 1.00 0.00 C ATOM 594 CZ3 TRP A 59 2.451 3.466 -8.635 1.00 0.00 C ATOM 595 CH2 TRP A 59 2.532 2.685 -9.790 1.00 0.00 C ATOM 0 H TRP A 59 5.137 5.811 -6.480 1.00 0.00 H new ATOM 0 HA TRP A 59 7.203 6.971 -8.104 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.297 7.831 -8.547 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.667 8.122 -9.600 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.920 6.799 -11.617 1.00 0.00 H new ATOM 0 HE1 TRP A 59 5.097 4.522 -12.674 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.118 5.233 -7.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.434 2.434 -11.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.830 3.137 -7.815 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.967 1.767 -9.852 1.00 0.00 H new ATOM 606 N LEU A 60 6.755 9.435 -7.191 1.00 0.00 N ATOM 607 CA LEU A 60 6.592 10.741 -6.524 1.00 0.00 C ATOM 608 C LEU A 60 5.621 11.680 -7.295 1.00 0.00 C ATOM 609 O LEU A 60 5.135 11.346 -8.379 1.00 0.00 O ATOM 610 CB LEU A 60 7.978 11.321 -6.197 1.00 0.00 C ATOM 611 CG LEU A 60 9.115 11.652 -7.197 1.00 0.00 C ATOM 612 CD1 LEU A 60 10.037 12.728 -6.611 1.00 0.00 C ATOM 613 CD2 LEU A 60 10.082 10.473 -7.357 1.00 0.00 C ATOM 0 H LEU A 60 7.460 9.434 -7.928 1.00 0.00 H new ATOM 0 HA LEU A 60 6.087 10.616 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.783 12.252 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.418 10.629 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 60 8.615 11.934 -8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.832 12.953 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.461 13.632 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.474 12.365 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.867 10.739 -8.065 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.530 10.236 -6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.538 9.604 -7.728 1.00 0.00 H new ATOM 625 N LEU A 61 5.324 12.873 -6.752 1.00 0.00 N ATOM 626 CA LEU A 61 4.400 13.844 -7.402 1.00 0.00 C ATOM 627 C LEU A 61 4.837 14.407 -8.783 1.00 0.00 C ATOM 628 O LEU A 61 3.979 14.799 -9.578 1.00 0.00 O ATOM 629 CB LEU A 61 3.912 14.929 -6.396 1.00 0.00 C ATOM 630 CG LEU A 61 4.800 16.185 -6.158 1.00 0.00 C ATOM 631 CD1 LEU A 61 4.038 17.235 -5.333 1.00 0.00 C ATOM 632 CD2 LEU A 61 6.136 15.864 -5.469 1.00 0.00 C ATOM 0 H LEU A 61 5.706 13.197 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 61 3.535 13.245 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.935 15.275 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.764 14.442 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 61 5.034 16.580 -7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.674 18.106 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.137 17.535 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.762 16.809 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.706 16.783 -5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.944 15.409 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.707 15.171 -6.087 1.00 0.00 H new ATOM 644 N ASP A 62 6.151 14.430 -9.083 1.00 0.00 N ATOM 645 CA ASP A 62 6.604 14.686 -10.477 1.00 0.00 C ATOM 646 C ASP A 62 6.280 13.458 -11.442 1.00 0.00 C ATOM 647 O ASP A 62 6.574 13.559 -12.635 1.00 0.00 O ATOM 648 CB ASP A 62 8.125 15.002 -10.406 1.00 0.00 C ATOM 649 CG ASP A 62 8.709 15.855 -11.534 1.00 0.00 C ATOM 650 OD1 ASP A 62 9.353 16.876 -11.318 1.00 0.00 O ATOM 651 OD2 ASP A 62 8.462 15.357 -12.780 1.00 0.00 O ATOM 0 H ASP A 62 6.901 14.280 -8.408 1.00 0.00 H new ATOM 0 HA ASP A 62 6.066 15.530 -10.908 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.322 15.508 -9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.667 14.057 -10.380 1.00 0.00 H new ATOM 657 N GLY A 63 5.712 12.313 -10.967 1.00 0.00 N ATOM 658 CA GLY A 63 5.446 11.112 -11.832 1.00 0.00 C ATOM 659 C GLY A 63 6.708 10.347 -12.243 1.00 0.00 C ATOM 660 O GLY A 63 6.806 9.819 -13.350 1.00 0.00 O ATOM 0 H GLY A 63 5.428 12.191 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.780 10.434 -11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.920 11.434 -12.731 1.00 0.00 H new ATOM 664 N THR A 64 7.661 10.280 -11.310 1.00 0.00 N ATOM 665 CA THR A 64 8.955 9.607 -11.539 1.00 0.00 C ATOM 666 C THR A 64 8.912 8.276 -10.749 1.00 0.00 C ATOM 667 O THR A 64 8.703 8.274 -9.532 1.00 0.00 O ATOM 668 CB THR A 64 10.068 10.601 -11.110 1.00 0.00 C ATOM 669 OG1 THR A 64 10.026 11.776 -11.916 1.00 0.00 O ATOM 670 CG2 THR A 64 11.477 10.032 -11.262 1.00 0.00 C ATOM 0 H THR A 64 7.565 10.686 -10.379 1.00 0.00 H new ATOM 0 HA THR A 64 9.162 9.346 -12.577 1.00 0.00 H new ATOM 0 HB THR A 64 9.871 10.812 -10.059 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.732 12.393 -11.632 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.207 10.777 -10.945 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.578 9.140 -10.644 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.654 9.772 -12.306 1.00 0.00 H new ATOM 678 N LYS A 65 9.084 7.142 -11.439 1.00 0.00 N ATOM 679 CA LYS A 65 9.064 5.819 -10.772 1.00 0.00 C ATOM 680 C LYS A 65 10.412 5.576 -9.986 1.00 0.00 C ATOM 681 O LYS A 65 11.370 5.056 -10.570 1.00 0.00 O ATOM 682 CB LYS A 65 8.778 4.713 -11.817 1.00 0.00 C ATOM 683 CG LYS A 65 8.683 3.288 -11.203 1.00 0.00 C ATOM 684 CD LYS A 65 7.980 2.283 -12.144 1.00 0.00 C ATOM 685 CE LYS A 65 8.740 1.888 -13.427 1.00 0.00 C ATOM 686 NZ LYS A 65 9.987 1.149 -13.126 1.00 0.00 N ATOM 0 H LYS A 65 9.237 7.105 -12.447 1.00 0.00 H new ATOM 0 HA LYS A 65 8.262 5.790 -10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.844 4.942 -12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.566 4.724 -12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.686 2.927 -10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.140 3.338 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.772 1.375 -11.578 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.018 2.705 -12.435 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.096 1.272 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.979 2.785 -13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.415 0.814 -14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.654 1.779 -12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.769 0.334 -12.517 1.00 0.00 H new ATOM 699 N PHE A 66 10.547 5.965 -8.697 1.00 0.00 N ATOM 700 CA PHE A 66 11.748 5.654 -7.888 1.00 0.00 C ATOM 701 C PHE A 66 11.971 4.123 -7.653 1.00 0.00 C ATOM 702 O PHE A 66 13.133 3.724 -7.532 1.00 0.00 O ATOM 703 CB PHE A 66 11.733 6.485 -6.569 1.00 0.00 C ATOM 704 CG PHE A 66 10.529 6.310 -5.619 1.00 0.00 C ATOM 705 CD1 PHE A 66 10.414 5.173 -4.815 1.00 0.00 C ATOM 706 CD2 PHE A 66 9.510 7.262 -5.598 1.00 0.00 C ATOM 707 CE1 PHE A 66 9.261 4.954 -4.063 1.00 0.00 C ATOM 708 CE2 PHE A 66 8.393 7.075 -4.798 1.00 0.00 C ATOM 709 CZ PHE A 66 8.243 5.911 -4.061 1.00 0.00 C ATOM 0 H PHE A 66 9.836 6.496 -8.194 1.00 0.00 H new ATOM 0 HA PHE A 66 12.620 5.957 -8.467 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.637 6.243 -6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 66 11.797 7.540 -6.837 1.00 0.00 H new ATOM 0 HD1 PHE A 66 11.224 4.459 -4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 66 9.591 8.149 -6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.155 4.048 -3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.634 7.842 -4.749 1.00 0.00 H new ATOM 0 HZ PHE A 66 7.343 5.744 -3.488 1.00 0.00 H new ATOM 719 N ASP A 67 10.918 3.270 -7.561 1.00 0.00 N ATOM 720 CA ASP A 67 11.140 1.810 -7.393 1.00 0.00 C ATOM 721 C ASP A 67 9.967 0.945 -7.948 1.00 0.00 C ATOM 722 O ASP A 67 8.811 1.350 -8.099 1.00 0.00 O ATOM 723 CB ASP A 67 11.526 1.450 -5.928 1.00 0.00 C ATOM 724 CG ASP A 67 12.259 0.123 -5.720 1.00 0.00 C ATOM 725 OD1 ASP A 67 11.703 -0.963 -5.611 1.00 0.00 O ATOM 726 OD2 ASP A 67 13.610 0.272 -5.700 1.00 0.00 O ATOM 0 H ASP A 67 9.939 3.554 -7.599 1.00 0.00 H new ATOM 0 HA ASP A 67 11.999 1.552 -8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.152 2.251 -5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.615 1.434 -5.330 1.00 0.00 H new ATOM 732 N SER A 68 10.344 -0.288 -8.260 1.00 0.00 N ATOM 733 CA SER A 68 9.438 -1.343 -8.764 1.00 0.00 C ATOM 734 C SER A 68 10.104 -2.712 -8.472 1.00 0.00 C ATOM 735 O SER A 68 10.960 -3.169 -9.231 1.00 0.00 O ATOM 736 CB SER A 68 9.074 -1.118 -10.256 1.00 0.00 C ATOM 737 OG SER A 68 10.207 -1.081 -11.127 1.00 0.00 O ATOM 0 H SER A 68 11.310 -0.602 -8.172 1.00 0.00 H new ATOM 0 HA SER A 68 8.477 -1.313 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.404 -1.914 -10.581 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.525 -0.181 -10.349 1.00 0.00 H new ATOM 0 HG SER A 68 10.717 -0.260 -10.966 1.00 0.00 H new ATOM 743 N SER A 69 9.739 -3.378 -7.360 1.00 0.00 N ATOM 744 CA SER A 69 10.318 -4.715 -7.005 1.00 0.00 C ATOM 745 C SER A 69 10.177 -5.843 -8.099 1.00 0.00 C ATOM 746 O SER A 69 11.075 -6.671 -8.264 1.00 0.00 O ATOM 747 CB SER A 69 9.758 -5.123 -5.632 1.00 0.00 C ATOM 748 OG SER A 69 10.528 -6.192 -5.090 1.00 0.00 O ATOM 0 H SER A 69 9.054 -3.028 -6.690 1.00 0.00 H new ATOM 0 HA SER A 69 11.401 -4.601 -6.957 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.777 -4.270 -4.954 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.716 -5.428 -5.731 1.00 0.00 H new ATOM 0 HG SER A 69 11.163 -5.838 -4.433 1.00 0.00 H new ATOM 754 N LEU A 70 9.063 -5.827 -8.848 1.00 0.00 N ATOM 755 CA LEU A 70 8.794 -6.698 -10.018 1.00 0.00 C ATOM 756 C LEU A 70 9.816 -6.644 -11.220 1.00 0.00 C ATOM 757 O LEU A 70 9.969 -7.642 -11.926 1.00 0.00 O ATOM 758 CB LEU A 70 7.386 -6.223 -10.512 1.00 0.00 C ATOM 759 CG LEU A 70 6.179 -6.811 -9.739 1.00 0.00 C ATOM 760 CD1 LEU A 70 4.867 -6.047 -9.960 1.00 0.00 C ATOM 761 CD2 LEU A 70 5.959 -8.254 -10.183 1.00 0.00 C ATOM 0 H LEU A 70 8.293 -5.186 -8.654 1.00 0.00 H new ATOM 0 HA LEU A 70 8.873 -7.736 -9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.344 -5.136 -10.446 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.283 -6.482 -11.566 1.00 0.00 H new ATOM 0 HG LEU A 70 6.429 -6.734 -8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.070 -6.519 -9.386 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.988 -5.014 -9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.610 -6.064 -11.019 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.111 -8.675 -9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.756 -8.278 -11.254 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.853 -8.841 -9.970 1.00 0.00 H new ATOM 773 N ASP A 71 10.471 -5.491 -11.472 1.00 0.00 N ATOM 774 CA ASP A 71 11.442 -5.278 -12.594 1.00 0.00 C ATOM 775 C ASP A 71 12.498 -6.398 -12.925 1.00 0.00 C ATOM 776 O ASP A 71 12.635 -6.839 -14.067 1.00 0.00 O ATOM 777 CB ASP A 71 12.077 -3.864 -12.415 1.00 0.00 C ATOM 778 CG ASP A 71 13.236 -3.591 -11.445 1.00 0.00 C ATOM 779 OD1 ASP A 71 14.079 -2.724 -11.653 1.00 0.00 O ATOM 780 OD2 ASP A 71 13.263 -4.421 -10.368 1.00 0.00 O ATOM 0 H ASP A 71 10.345 -4.658 -10.896 1.00 0.00 H new ATOM 0 HA ASP A 71 10.844 -5.351 -13.502 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.417 -3.549 -13.402 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.267 -3.194 -12.128 1.00 0.00 H new ATOM 786 N ARG A 72 13.225 -6.837 -11.900 1.00 0.00 N ATOM 787 CA ARG A 72 14.264 -7.891 -11.964 1.00 0.00 C ATOM 788 C ARG A 72 13.733 -9.328 -11.580 1.00 0.00 C ATOM 789 O ARG A 72 14.499 -10.167 -11.099 1.00 0.00 O ATOM 790 CB ARG A 72 15.398 -7.419 -11.000 1.00 0.00 C ATOM 791 CG ARG A 72 16.192 -6.144 -11.400 1.00 0.00 C ATOM 792 CD ARG A 72 16.974 -5.512 -10.230 1.00 0.00 C ATOM 793 NE ARG A 72 16.064 -4.785 -9.294 1.00 0.00 N ATOM 794 CZ ARG A 72 16.078 -3.483 -9.034 1.00 0.00 C ATOM 795 NH1 ARG A 72 16.866 -2.623 -9.603 1.00 0.00 N ATOM 796 NH2 ARG A 72 15.227 -3.046 -8.174 1.00 0.00 N ATOM 0 H ARG A 72 13.110 -6.460 -10.959 1.00 0.00 H new ATOM 0 HA ARG A 72 14.617 -8.009 -12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.956 -7.246 -10.019 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.109 -8.238 -10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.890 -6.396 -12.198 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.499 -5.406 -11.804 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.511 -6.290 -9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.722 -4.822 -10.621 1.00 0.00 H new ATOM 0 HE ARG A 72 15.363 -5.344 -8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.537 -2.933 -10.306 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.815 -1.637 -9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.579 -3.692 -7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.200 -2.053 -7.942 1.00 0.00 H new ATOM 809 N LYS A 73 12.431 -9.622 -11.787 1.00 0.00 N ATOM 810 CA LYS A 73 11.755 -10.903 -11.403 1.00 0.00 C ATOM 811 C LYS A 73 11.496 -11.152 -9.862 1.00 0.00 C ATOM 812 O LYS A 73 10.710 -12.028 -9.492 1.00 0.00 O ATOM 813 CB LYS A 73 12.376 -12.121 -12.152 1.00 0.00 C ATOM 814 CG LYS A 73 11.467 -13.367 -12.294 1.00 0.00 C ATOM 815 CD LYS A 73 12.077 -14.503 -13.142 1.00 0.00 C ATOM 816 CE LYS A 73 13.240 -15.240 -12.458 1.00 0.00 C ATOM 817 NZ LYS A 73 13.707 -16.340 -13.326 1.00 0.00 N ATOM 0 H LYS A 73 11.795 -8.964 -12.237 1.00 0.00 H new ATOM 0 HA LYS A 73 10.732 -10.778 -11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.672 -11.796 -13.150 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.286 -12.417 -11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.240 -13.753 -11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.521 -13.063 -12.741 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.295 -15.223 -13.382 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.429 -14.088 -14.087 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.058 -14.547 -12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.917 -15.635 -11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.494 -16.838 -12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.926 -17.006 -13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.031 -15.952 -14.235 1.00 0.00 H new ATOM 830 N ASP A 74 12.116 -10.365 -8.970 1.00 0.00 N ATOM 831 CA ASP A 74 11.968 -10.491 -7.495 1.00 0.00 C ATOM 832 C ASP A 74 10.598 -9.953 -6.933 1.00 0.00 C ATOM 833 O ASP A 74 9.749 -9.385 -7.625 1.00 0.00 O ATOM 834 CB ASP A 74 13.204 -9.771 -6.869 1.00 0.00 C ATOM 835 CG ASP A 74 13.622 -10.168 -5.455 1.00 0.00 C ATOM 836 OD1 ASP A 74 13.200 -11.149 -4.852 1.00 0.00 O ATOM 837 OD2 ASP A 74 14.518 -9.295 -4.927 1.00 0.00 O ATOM 0 H ASP A 74 12.744 -9.611 -9.247 1.00 0.00 H new ATOM 0 HA ASP A 74 11.942 -11.545 -7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.056 -9.936 -7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.003 -8.700 -6.870 1.00 0.00 H new ATOM 843 N LYS A 75 10.427 -10.166 -5.627 1.00 0.00 N ATOM 844 CA LYS A 75 9.244 -9.743 -4.841 1.00 0.00 C ATOM 845 C LYS A 75 9.651 -8.798 -3.653 1.00 0.00 C ATOM 846 O LYS A 75 10.839 -8.602 -3.362 1.00 0.00 O ATOM 847 CB LYS A 75 8.583 -11.050 -4.290 1.00 0.00 C ATOM 848 CG LYS A 75 7.109 -11.014 -3.829 1.00 0.00 C ATOM 849 CD LYS A 75 6.588 -12.401 -3.406 1.00 0.00 C ATOM 850 CE LYS A 75 5.099 -12.345 -3.045 1.00 0.00 C ATOM 851 NZ LYS A 75 4.635 -13.677 -2.610 1.00 0.00 N ATOM 0 H LYS A 75 11.123 -10.651 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 75 8.554 -9.179 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.665 -11.811 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.182 -11.390 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.010 -10.322 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.488 -10.628 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.742 -13.113 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.159 -12.762 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.936 -11.617 -2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.520 -12.012 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.625 -13.630 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.775 -14.362 -3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.178 -13.978 -1.776 1.00 0.00 H new ATOM 864 N PHE A 76 8.660 -8.208 -2.963 1.00 0.00 N ATOM 865 CA PHE A 76 8.891 -7.422 -1.728 1.00 0.00 C ATOM 866 C PHE A 76 8.113 -8.101 -0.544 1.00 0.00 C ATOM 867 O PHE A 76 7.086 -8.760 -0.718 1.00 0.00 O ATOM 868 CB PHE A 76 8.659 -5.887 -1.966 1.00 0.00 C ATOM 869 CG PHE A 76 9.678 -5.100 -1.113 1.00 0.00 C ATOM 870 CD1 PHE A 76 10.994 -4.896 -1.543 1.00 0.00 C ATOM 871 CD2 PHE A 76 9.310 -4.695 0.177 1.00 0.00 C ATOM 872 CE1 PHE A 76 11.906 -4.243 -0.711 1.00 0.00 C ATOM 873 CE2 PHE A 76 10.226 -4.057 1.009 1.00 0.00 C ATOM 874 CZ PHE A 76 11.521 -3.825 0.560 1.00 0.00 C ATOM 0 H PHE A 76 7.680 -8.259 -3.240 1.00 0.00 H new ATOM 0 HA PHE A 76 9.938 -7.441 -1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.781 -5.645 -3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.641 -5.611 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.304 -5.243 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.306 -4.880 0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.914 -4.062 -1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.932 -3.743 2.000 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.230 -3.319 1.199 1.00 0.00 H new ATOM 884 N SER A 77 8.631 -8.017 0.682 1.00 0.00 N ATOM 885 CA SER A 77 8.017 -8.654 1.878 1.00 0.00 C ATOM 886 C SER A 77 8.751 -8.107 3.120 1.00 0.00 C ATOM 887 O SER A 77 9.964 -7.863 3.145 1.00 0.00 O ATOM 888 CB SER A 77 8.073 -10.204 1.861 1.00 0.00 C ATOM 889 OG SER A 77 7.463 -10.806 3.003 1.00 0.00 O ATOM 0 H SER A 77 9.490 -7.507 0.888 1.00 0.00 H new ATOM 0 HA SER A 77 6.956 -8.405 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.579 -10.568 0.960 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.114 -10.522 1.804 1.00 0.00 H new ATOM 0 HG SER A 77 6.861 -10.162 3.430 1.00 0.00 H new ATOM 895 N PHE A 78 7.964 -7.912 4.165 1.00 0.00 N ATOM 896 CA PHE A 78 8.463 -7.335 5.437 1.00 0.00 C ATOM 897 C PHE A 78 7.654 -7.877 6.674 1.00 0.00 C ATOM 898 O PHE A 78 6.655 -8.585 6.507 1.00 0.00 O ATOM 899 CB PHE A 78 8.409 -5.794 5.220 1.00 0.00 C ATOM 900 CG PHE A 78 7.048 -5.106 5.397 1.00 0.00 C ATOM 901 CD1 PHE A 78 6.764 -4.605 6.664 1.00 0.00 C ATOM 902 CD2 PHE A 78 6.177 -4.841 4.334 1.00 0.00 C ATOM 903 CE1 PHE A 78 5.636 -3.836 6.877 1.00 0.00 C ATOM 904 CE2 PHE A 78 5.040 -4.056 4.552 1.00 0.00 C ATOM 905 CZ PHE A 78 4.784 -3.545 5.828 1.00 0.00 C ATOM 0 H PHE A 78 6.970 -8.141 4.173 1.00 0.00 H new ATOM 0 HA PHE A 78 9.483 -7.631 5.681 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.114 -5.331 5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.765 -5.582 4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.430 -4.819 7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.382 -5.240 3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.419 -3.461 7.866 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.362 -3.845 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.918 -2.921 5.995 1.00 0.00 H new ATOM 915 N ASP A 79 8.039 -7.556 7.925 1.00 0.00 N ATOM 916 CA ASP A 79 7.230 -7.908 9.114 1.00 0.00 C ATOM 917 C ASP A 79 6.625 -6.559 9.626 1.00 0.00 C ATOM 918 O ASP A 79 7.341 -5.571 9.823 1.00 0.00 O ATOM 919 CB ASP A 79 8.143 -8.702 10.063 1.00 0.00 C ATOM 920 CG ASP A 79 7.431 -9.222 11.307 1.00 0.00 C ATOM 921 OD1 ASP A 79 7.539 -8.708 12.413 1.00 0.00 O ATOM 922 OD2 ASP A 79 6.629 -10.286 11.044 1.00 0.00 O ATOM 0 H ASP A 79 8.901 -7.056 8.140 1.00 0.00 H new ATOM 0 HA ASP A 79 6.378 -8.568 8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.570 -9.545 9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.974 -8.067 10.370 1.00 0.00 H new ATOM 928 N LEU A 80 5.295 -6.491 9.780 1.00 0.00 N ATOM 929 CA LEU A 80 4.580 -5.250 10.206 1.00 0.00 C ATOM 930 C LEU A 80 5.117 -4.694 11.579 1.00 0.00 C ATOM 931 O LEU A 80 4.950 -5.344 12.612 1.00 0.00 O ATOM 932 CB LEU A 80 3.064 -5.599 10.280 1.00 0.00 C ATOM 933 CG LEU A 80 2.146 -4.678 9.454 1.00 0.00 C ATOM 934 CD1 LEU A 80 0.721 -5.211 9.554 1.00 0.00 C ATOM 935 CD2 LEU A 80 2.155 -3.223 9.901 1.00 0.00 C ATOM 0 H LEU A 80 4.675 -7.284 9.617 1.00 0.00 H new ATOM 0 HA LEU A 80 4.755 -4.452 9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.925 -6.625 9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.748 -5.563 11.323 1.00 0.00 H new ATOM 0 HG LEU A 80 2.526 -4.688 8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.053 -4.573 8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.684 -6.227 9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.406 -5.215 10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.483 -2.644 9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.823 -3.159 10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.166 -2.823 9.819 1.00 0.00 H new ATOM 947 N GLY A 81 5.785 -3.527 11.607 1.00 0.00 N ATOM 948 CA GLY A 81 6.407 -2.994 12.870 1.00 0.00 C ATOM 949 C GLY A 81 7.586 -3.842 13.423 1.00 0.00 C ATOM 950 O GLY A 81 7.538 -4.278 14.572 1.00 0.00 O ATOM 0 H GLY A 81 5.917 -2.929 10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.763 -1.981 12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.636 -2.925 13.637 1.00 0.00 H new ATOM 954 N LYS A 82 8.631 -4.058 12.609 1.00 0.00 N ATOM 955 CA LYS A 82 9.788 -4.950 12.984 1.00 0.00 C ATOM 956 C LYS A 82 11.068 -4.114 13.330 1.00 0.00 C ATOM 957 O LYS A 82 11.495 -3.954 14.473 1.00 0.00 O ATOM 958 CB LYS A 82 9.879 -6.060 11.873 1.00 0.00 C ATOM 959 CG LYS A 82 10.478 -5.769 10.459 1.00 0.00 C ATOM 960 CD LYS A 82 11.899 -6.324 10.233 1.00 0.00 C ATOM 961 CE LYS A 82 12.482 -5.974 8.851 1.00 0.00 C ATOM 962 NZ LYS A 82 12.852 -4.542 8.763 1.00 0.00 N ATOM 0 H LYS A 82 8.718 -3.637 11.684 1.00 0.00 H new ATOM 0 HA LYS A 82 9.651 -5.486 13.923 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.457 -6.882 12.296 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.866 -6.431 11.715 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.814 -6.191 9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.495 -4.691 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.560 -5.934 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.880 -7.408 10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.361 -6.590 8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.752 -6.210 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.288 -4.352 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.000 -3.956 8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.529 -4.311 9.518 1.00 0.00 H new ATOM 975 N GLY A 83 11.645 -3.596 12.261 1.00 0.00 N ATOM 976 CA GLY A 83 12.739 -2.567 12.228 1.00 0.00 C ATOM 977 C GLY A 83 12.146 -1.241 11.682 1.00 0.00 C ATOM 978 O GLY A 83 12.214 -0.157 12.255 1.00 0.00 O ATOM 0 H GLY A 83 11.366 -3.881 11.322 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.149 -2.417 13.227 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.559 -2.905 11.595 1.00 0.00 H new ATOM 982 N GLU A 84 11.541 -1.493 10.534 1.00 0.00 N ATOM 983 CA GLU A 84 10.605 -0.687 9.777 1.00 0.00 C ATOM 984 C GLU A 84 11.105 -0.245 8.369 1.00 0.00 C ATOM 985 O GLU A 84 12.241 0.088 8.035 1.00 0.00 O ATOM 986 CB GLU A 84 9.582 0.167 10.599 1.00 0.00 C ATOM 987 CG GLU A 84 8.715 1.257 9.896 1.00 0.00 C ATOM 988 CD GLU A 84 8.017 2.253 10.824 1.00 0.00 C ATOM 989 OE1 GLU A 84 6.803 2.313 10.996 1.00 0.00 O ATOM 990 OE2 GLU A 84 8.898 3.096 11.426 1.00 0.00 O ATOM 0 H GLU A 84 11.718 -2.376 10.055 1.00 0.00 H new ATOM 0 HA GLU A 84 9.828 -1.363 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.895 -0.529 11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.141 0.663 11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.352 1.814 9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.956 0.758 9.293 1.00 0.00 H new ATOM 998 N VAL A 85 10.058 -0.341 7.584 1.00 0.00 N ATOM 999 CA VAL A 85 9.919 -0.053 6.155 1.00 0.00 C ATOM 1000 C VAL A 85 9.769 1.485 6.068 1.00 0.00 C ATOM 1001 O VAL A 85 10.716 2.249 6.274 1.00 0.00 O ATOM 1002 CB VAL A 85 8.760 -1.031 5.692 1.00 0.00 C ATOM 1003 CG1 VAL A 85 9.235 -2.517 5.626 1.00 0.00 C ATOM 1004 CG2 VAL A 85 7.419 -1.005 6.470 1.00 0.00 C ATOM 0 H VAL A 85 9.169 -0.661 7.969 1.00 0.00 H new ATOM 0 HA VAL A 85 10.733 -0.253 5.458 1.00 0.00 H new ATOM 0 HB VAL A 85 8.537 -0.615 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.408 -3.150 5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.057 -2.605 4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.573 -2.835 6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.731 -1.729 6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.599 -1.260 7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.983 -0.008 6.410 1.00 0.00 H new ATOM 1014 N ILE A 86 8.571 1.916 5.752 1.00 0.00 N ATOM 1015 CA ILE A 86 8.136 3.304 5.956 1.00 0.00 C ATOM 1016 C ILE A 86 6.913 3.248 6.907 1.00 0.00 C ATOM 1017 O ILE A 86 6.145 2.282 7.003 1.00 0.00 O ATOM 1018 CB ILE A 86 7.912 4.198 4.697 1.00 0.00 C ATOM 1019 CG1 ILE A 86 6.852 3.647 3.717 1.00 0.00 C ATOM 1020 CG2 ILE A 86 9.269 4.563 4.078 1.00 0.00 C ATOM 1021 CD1 ILE A 86 6.642 4.452 2.434 1.00 0.00 C ATOM 0 H ILE A 86 7.854 1.318 5.341 1.00 0.00 H new ATOM 0 HA ILE A 86 8.976 3.843 6.395 1.00 0.00 H new ATOM 0 HB ILE A 86 7.450 5.135 5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.134 2.630 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.899 3.583 4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.112 5.187 3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.867 5.108 4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.793 3.652 3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.877 3.972 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.323 5.463 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.577 4.496 1.875 1.00 0.00 H new ATOM 1033 N LYS A 87 6.732 4.357 7.607 1.00 0.00 N ATOM 1034 CA LYS A 87 5.567 4.536 8.513 1.00 0.00 C ATOM 1035 C LYS A 87 4.195 4.605 7.755 1.00 0.00 C ATOM 1036 O LYS A 87 3.179 4.123 8.255 1.00 0.00 O ATOM 1037 CB LYS A 87 5.936 5.671 9.505 1.00 0.00 C ATOM 1038 CG LYS A 87 5.182 5.696 10.850 1.00 0.00 C ATOM 1039 CD LYS A 87 3.971 6.643 10.884 1.00 0.00 C ATOM 1040 CE LYS A 87 3.406 6.728 12.312 1.00 0.00 C ATOM 1041 NZ LYS A 87 2.179 7.539 12.333 1.00 0.00 N ATOM 0 H LYS A 87 7.366 5.156 7.577 1.00 0.00 H new ATOM 0 HA LYS A 87 5.369 3.655 9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.003 5.603 9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.770 6.625 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.844 4.686 11.082 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.878 5.988 11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.266 7.635 10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.201 6.286 10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.193 5.726 12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.150 7.165 12.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.295 8.327 13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.996 7.916 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.377 6.948 12.631 1.00 0.00 H new ATOM 1054 N ALA A 88 4.193 5.102 6.500 1.00 0.00 N ATOM 1055 CA ALA A 88 3.065 4.951 5.568 1.00 0.00 C ATOM 1056 C ALA A 88 2.775 3.462 5.247 1.00 0.00 C ATOM 1057 O ALA A 88 1.594 3.138 5.101 1.00 0.00 O ATOM 1058 CB ALA A 88 3.367 5.729 4.271 1.00 0.00 C ATOM 0 H ALA A 88 4.979 5.621 6.107 1.00 0.00 H new ATOM 0 HA ALA A 88 2.173 5.357 6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.533 5.619 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.508 6.784 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.274 5.334 3.813 1.00 0.00 H new ATOM 1064 N TRP A 89 3.787 2.554 5.149 1.00 0.00 N ATOM 1065 CA TRP A 89 3.477 1.130 4.973 1.00 0.00 C ATOM 1066 C TRP A 89 2.936 0.479 6.253 1.00 0.00 C ATOM 1067 O TRP A 89 1.944 -0.228 6.148 1.00 0.00 O ATOM 1068 CB TRP A 89 4.643 0.318 4.426 1.00 0.00 C ATOM 1069 CG TRP A 89 4.993 0.511 2.968 1.00 0.00 C ATOM 1070 CD1 TRP A 89 4.586 1.500 2.071 1.00 0.00 C ATOM 1071 CD2 TRP A 89 5.730 -0.364 2.252 1.00 0.00 C ATOM 1072 NE1 TRP A 89 4.997 1.203 0.758 1.00 0.00 N ATOM 1073 CE2 TRP A 89 5.700 0.021 0.898 1.00 0.00 C ATOM 1074 CE3 TRP A 89 6.476 -1.467 2.688 1.00 0.00 C ATOM 1075 CZ2 TRP A 89 6.366 -0.762 -0.068 1.00 0.00 C ATOM 1076 CZ3 TRP A 89 7.173 -2.204 1.741 1.00 0.00 C ATOM 1077 CH2 TRP A 89 7.103 -1.871 0.377 1.00 0.00 C ATOM 0 H TRP A 89 4.781 2.782 5.188 1.00 0.00 H new ATOM 0 HA TRP A 89 2.688 1.114 4.221 1.00 0.00 H new ATOM 0 HB2 TRP A 89 5.526 0.552 5.020 1.00 0.00 H new ATOM 0 HB3 TRP A 89 4.424 -0.738 4.584 1.00 0.00 H new ATOM 0 HD1 TRP A 89 4.027 2.381 2.349 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.818 1.734 -0.094 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.508 -1.736 3.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.311 -0.516 -1.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.776 -3.043 2.055 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.627 -2.481 -0.344 1.00 0.00 H new ATOM 1088 N ASP A 90 3.513 0.673 7.448 1.00 0.00 N ATOM 1089 CA ASP A 90 2.869 0.089 8.667 1.00 0.00 C ATOM 1090 C ASP A 90 1.386 0.563 8.908 1.00 0.00 C ATOM 1091 O ASP A 90 0.546 -0.266 9.267 1.00 0.00 O ATOM 1092 CB ASP A 90 3.776 0.288 9.911 1.00 0.00 C ATOM 1093 CG ASP A 90 5.066 -0.531 9.968 1.00 0.00 C ATOM 1094 OD1 ASP A 90 5.366 -1.415 9.176 1.00 0.00 O ATOM 1095 OD2 ASP A 90 5.833 -0.194 11.039 1.00 0.00 O ATOM 0 H ASP A 90 4.374 1.196 7.610 1.00 0.00 H new ATOM 0 HA ASP A 90 2.774 -0.981 8.484 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.042 1.343 9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.188 0.056 10.799 1.00 0.00 H new ATOM 1101 N ILE A 91 1.036 1.838 8.628 1.00 0.00 N ATOM 1102 CA ILE A 91 -0.369 2.322 8.734 1.00 0.00 C ATOM 1103 C ILE A 91 -1.278 1.685 7.614 1.00 0.00 C ATOM 1104 O ILE A 91 -2.196 0.889 7.893 1.00 0.00 O ATOM 1105 CB ILE A 91 -0.423 3.896 8.918 1.00 0.00 C ATOM 1106 CG1 ILE A 91 -0.170 4.359 10.388 1.00 0.00 C ATOM 1107 CG2 ILE A 91 -1.799 4.503 8.548 1.00 0.00 C ATOM 1108 CD1 ILE A 91 1.202 4.046 10.998 1.00 0.00 C ATOM 0 H ILE A 91 1.700 2.552 8.328 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.828 1.958 9.653 1.00 0.00 H new ATOM 0 HB ILE A 91 0.366 4.243 8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.321 5.438 10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.932 3.904 11.021 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.772 5.583 8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.024 4.285 7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.571 4.069 9.184 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.240 4.423 12.020 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.361 2.968 11.003 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.981 4.525 10.405 1.00 0.00 H new ATOM 1120 N ALA A 92 -1.001 2.005 6.335 1.00 0.00 N ATOM 1121 CA ALA A 92 -1.792 1.471 5.219 1.00 0.00 C ATOM 1122 C ALA A 92 -1.738 -0.075 5.027 1.00 0.00 C ATOM 1123 O ALA A 92 -2.795 -0.644 4.768 1.00 0.00 O ATOM 1124 CB ALA A 92 -1.427 2.281 3.979 1.00 0.00 C ATOM 0 H ALA A 92 -0.241 2.625 6.055 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.850 1.597 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.995 1.914 3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.663 3.332 4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.361 2.177 3.777 1.00 0.00 H new ATOM 1130 N VAL A 93 -0.586 -0.757 5.209 1.00 0.00 N ATOM 1131 CA VAL A 93 -0.474 -2.241 5.090 1.00 0.00 C ATOM 1132 C VAL A 93 -1.201 -2.966 6.272 1.00 0.00 C ATOM 1133 O VAL A 93 -1.784 -4.020 6.019 1.00 0.00 O ATOM 1134 CB VAL A 93 0.977 -2.698 4.712 1.00 0.00 C ATOM 1135 CG1 VAL A 93 1.071 -4.165 4.280 1.00 0.00 C ATOM 1136 CG2 VAL A 93 1.579 -1.948 3.498 1.00 0.00 C ATOM 0 H VAL A 93 0.296 -0.301 5.443 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.037 -2.590 4.225 1.00 0.00 H new ATOM 0 HB VAL A 93 1.512 -2.494 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.105 -4.406 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.732 -4.806 5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.443 -4.327 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.584 -2.322 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.952 -2.112 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.625 -0.881 3.716 1.00 0.00 H new ATOM 1146 N ALA A 94 -1.252 -2.423 7.516 1.00 0.00 N ATOM 1147 CA ALA A 94 -2.197 -2.919 8.558 1.00 0.00 C ATOM 1148 C ALA A 94 -3.698 -2.916 8.068 1.00 0.00 C ATOM 1149 O ALA A 94 -4.444 -3.858 8.341 1.00 0.00 O ATOM 1150 CB ALA A 94 -1.976 -2.114 9.848 1.00 0.00 C ATOM 0 H ALA A 94 -0.659 -1.651 7.822 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.985 -3.968 8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.661 -2.467 10.619 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.949 -2.246 10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.161 -1.058 9.654 1.00 0.00 H new ATOM 1156 N THR A 95 -4.110 -1.889 7.291 1.00 0.00 N ATOM 1157 CA THR A 95 -5.465 -1.869 6.641 1.00 0.00 C ATOM 1158 C THR A 95 -5.623 -2.705 5.288 1.00 0.00 C ATOM 1159 O THR A 95 -6.682 -2.600 4.664 1.00 0.00 O ATOM 1160 CB THR A 95 -5.968 -0.392 6.468 1.00 0.00 C ATOM 1161 OG1 THR A 95 -5.175 0.365 5.555 1.00 0.00 O ATOM 1162 CG2 THR A 95 -6.069 0.437 7.759 1.00 0.00 C ATOM 0 H THR A 95 -3.540 -1.066 7.093 1.00 0.00 H new ATOM 0 HA THR A 95 -6.107 -2.407 7.339 1.00 0.00 H new ATOM 0 HB THR A 95 -6.975 -0.552 6.083 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.401 -0.167 5.275 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.426 1.439 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.766 -0.043 8.446 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.087 0.503 8.227 1.00 0.00 H new ATOM 1170 N MET A 96 -4.672 -3.563 4.823 1.00 0.00 N ATOM 1171 CA MET A 96 -4.798 -4.312 3.517 1.00 0.00 C ATOM 1172 C MET A 96 -5.546 -5.705 3.571 1.00 0.00 C ATOM 1173 O MET A 96 -6.040 -6.088 4.628 1.00 0.00 O ATOM 1174 CB MET A 96 -3.367 -4.306 2.884 1.00 0.00 C ATOM 1175 CG MET A 96 -3.014 -2.894 2.352 1.00 0.00 C ATOM 1176 SD MET A 96 -1.351 -2.564 1.707 1.00 0.00 S ATOM 1177 CE MET A 96 -0.818 -4.033 0.827 1.00 0.00 C ATOM 0 H MET A 96 -3.806 -3.760 5.325 1.00 0.00 H new ATOM 0 HA MET A 96 -5.500 -3.803 2.857 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.633 -4.615 3.628 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.320 -5.030 2.070 1.00 0.00 H new ATOM 0 HG2 MET A 96 -3.723 -2.659 1.558 1.00 0.00 H new ATOM 0 HG3 MET A 96 -3.195 -2.187 3.161 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.097 -3.815 0.276 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.630 -4.836 1.540 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.597 -4.342 0.130 1.00 0.00 H new ATOM 1187 N LYS A 97 -5.684 -6.465 2.454 1.00 0.00 N ATOM 1188 CA LYS A 97 -6.474 -7.752 2.421 1.00 0.00 C ATOM 1189 C LYS A 97 -5.808 -8.965 1.664 1.00 0.00 C ATOM 1190 O LYS A 97 -5.174 -8.831 0.602 1.00 0.00 O ATOM 1191 CB LYS A 97 -7.856 -7.464 1.755 1.00 0.00 C ATOM 1192 CG LYS A 97 -8.825 -6.523 2.513 1.00 0.00 C ATOM 1193 CD LYS A 97 -10.182 -6.316 1.806 1.00 0.00 C ATOM 1194 CE LYS A 97 -10.096 -5.487 0.511 1.00 0.00 C ATOM 1195 NZ LYS A 97 -11.447 -5.306 -0.053 1.00 0.00 N ATOM 0 H LYS A 97 -5.263 -6.220 1.558 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.544 -8.067 3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.673 -7.037 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.362 -8.417 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.004 -6.929 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.344 -5.554 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.611 -7.291 1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.867 -5.823 2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.645 -4.517 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.454 -5.990 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.386 -4.746 -0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.862 -6.236 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.047 -4.809 0.636 1.00 0.00 H new ATOM 1208 N VAL A 98 -6.083 -10.193 2.176 1.00 0.00 N ATOM 1209 CA VAL A 98 -5.509 -11.469 1.641 1.00 0.00 C ATOM 1210 C VAL A 98 -5.692 -11.654 0.078 1.00 0.00 C ATOM 1211 O VAL A 98 -6.828 -11.661 -0.406 1.00 0.00 O ATOM 1212 CB VAL A 98 -6.167 -12.732 2.292 1.00 0.00 C ATOM 1213 CG1 VAL A 98 -5.579 -14.088 1.817 1.00 0.00 C ATOM 1214 CG2 VAL A 98 -6.039 -12.833 3.827 1.00 0.00 C ATOM 0 H VAL A 98 -6.707 -10.333 2.970 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.450 -11.387 1.887 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.198 -12.577 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.096 -14.905 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.711 -14.184 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.516 -14.128 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.528 -13.743 4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.985 -12.860 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.513 -11.967 4.289 1.00 0.00 H new ATOM 1224 N GLY A 99 -4.619 -11.845 -0.694 1.00 0.00 N ATOM 1225 CA GLY A 99 -4.764 -12.180 -2.144 1.00 0.00 C ATOM 1226 C GLY A 99 -4.493 -10.997 -3.092 1.00 0.00 C ATOM 1227 O GLY A 99 -3.740 -11.220 -4.043 1.00 0.00 O ATOM 0 H GLY A 99 -3.656 -11.779 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.079 -12.992 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.774 -12.550 -2.321 1.00 0.00 H new ATOM 1231 N GLU A 100 -5.023 -9.769 -2.860 1.00 0.00 N ATOM 1232 CA GLU A 100 -4.735 -8.623 -3.805 1.00 0.00 C ATOM 1233 C GLU A 100 -4.697 -7.227 -3.083 1.00 0.00 C ATOM 1234 O GLU A 100 -4.656 -7.207 -1.851 1.00 0.00 O ATOM 1235 CB GLU A 100 -5.665 -8.688 -5.064 1.00 0.00 C ATOM 1236 CG GLU A 100 -5.429 -9.865 -6.051 1.00 0.00 C ATOM 1237 CD GLU A 100 -6.029 -9.684 -7.434 1.00 0.00 C ATOM 1238 OE1 GLU A 100 -7.132 -10.102 -7.773 1.00 0.00 O ATOM 1239 OE2 GLU A 100 -5.197 -8.987 -8.253 1.00 0.00 O ATOM 0 H GLU A 100 -5.626 -9.537 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.718 -8.742 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.698 -8.735 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.555 -7.755 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.355 -10.019 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.840 -10.774 -5.611 1.00 0.00 H new ATOM 1247 N LEU A 101 -4.574 -6.071 -3.800 1.00 0.00 N ATOM 1248 CA LEU A 101 -4.580 -4.718 -3.185 1.00 0.00 C ATOM 1249 C LEU A 101 -4.971 -3.496 -4.112 1.00 0.00 C ATOM 1250 O LEU A 101 -6.019 -3.442 -4.776 1.00 0.00 O ATOM 1251 CB LEU A 101 -3.630 -4.483 -1.962 1.00 0.00 C ATOM 1252 CG LEU A 101 -4.024 -3.464 -0.880 1.00 0.00 C ATOM 1253 CD1 LEU A 101 -3.230 -2.143 -0.993 1.00 0.00 C ATOM 1254 CD2 LEU A 101 -5.511 -3.284 -0.536 1.00 0.00 C ATOM 0 H LEU A 101 -4.469 -6.056 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.514 -4.748 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.489 -5.445 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.659 -4.182 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.700 -3.972 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.547 -1.459 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.165 -2.349 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.417 -1.688 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.615 -2.530 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.054 -2.963 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.920 -4.231 -0.183 1.00 0.00 H new ATOM 1266 N CYS A 102 -4.186 -2.427 -3.979 1.00 0.00 N ATOM 1267 CA CYS A 102 -4.509 -1.068 -4.491 1.00 0.00 C ATOM 1268 C CYS A 102 -3.303 -0.107 -4.660 1.00 0.00 C ATOM 1269 O CYS A 102 -2.180 -0.526 -4.948 1.00 0.00 O ATOM 1270 CB CYS A 102 -5.539 -0.565 -3.466 1.00 0.00 C ATOM 1271 SG CYS A 102 -5.077 0.718 -2.269 1.00 0.00 S ATOM 0 H CYS A 102 -3.284 -2.468 -3.504 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.878 -1.106 -5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -6.397 -0.192 -4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.880 -1.430 -2.898 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.965 0.385 -1.683 1.00 0.00 H new ATOM 1277 N ARG A 103 -3.558 1.211 -4.505 1.00 0.00 N ATOM 1278 CA ARG A 103 -2.520 2.214 -4.403 1.00 0.00 C ATOM 1279 C ARG A 103 -2.603 3.005 -3.063 1.00 0.00 C ATOM 1280 O ARG A 103 -3.632 3.511 -2.616 1.00 0.00 O ATOM 1281 CB ARG A 103 -2.416 3.103 -5.630 1.00 0.00 C ATOM 1282 CG ARG A 103 -3.602 3.954 -6.120 1.00 0.00 C ATOM 1283 CD ARG A 103 -3.227 4.815 -7.337 1.00 0.00 C ATOM 1284 NE ARG A 103 -4.324 5.769 -7.649 1.00 0.00 N ATOM 1285 CZ ARG A 103 -4.440 7.008 -7.181 1.00 0.00 C ATOM 1286 NH1 ARG A 103 -3.604 7.562 -6.354 1.00 0.00 N ATOM 1287 NH2 ARG A 103 -5.454 7.694 -7.571 1.00 0.00 N ATOM 0 H ARG A 103 -4.502 1.593 -4.449 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.573 1.675 -4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.588 3.789 -5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.125 2.460 -6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.434 3.300 -6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.945 4.599 -5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.306 5.362 -7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.035 4.176 -8.199 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.055 5.443 -8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.794 7.039 -6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.758 8.519 -6.038 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.130 7.283 -8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -5.583 8.649 -7.237 1.00 0.00 H new ATOM 1300 N ILE A 104 -1.441 3.079 -2.436 1.00 0.00 N ATOM 1301 CA ILE A 104 -1.192 3.872 -1.200 1.00 0.00 C ATOM 1302 C ILE A 104 -0.999 5.380 -1.621 1.00 0.00 C ATOM 1303 O ILE A 104 -0.359 5.662 -2.638 1.00 0.00 O ATOM 1304 CB ILE A 104 0.076 3.251 -0.467 1.00 0.00 C ATOM 1305 CG1 ILE A 104 -0.264 1.891 0.227 1.00 0.00 C ATOM 1306 CG2 ILE A 104 0.766 4.230 0.515 1.00 0.00 C ATOM 1307 CD1 ILE A 104 0.651 1.359 1.365 1.00 0.00 C ATOM 0 H ILE A 104 -0.612 2.584 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.024 3.835 -0.497 1.00 0.00 H new ATOM 0 HB ILE A 104 0.803 3.055 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.272 1.975 0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -0.295 1.127 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.622 3.738 0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.104 5.112 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.058 4.529 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.264 0.407 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.662 1.218 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.669 2.079 2.183 1.00 0.00 H new ATOM 1319 N THR A 105 -1.519 6.348 -0.846 1.00 0.00 N ATOM 1320 CA THR A 105 -1.330 7.813 -1.152 1.00 0.00 C ATOM 1321 C THR A 105 -0.830 8.489 0.156 1.00 0.00 C ATOM 1322 O THR A 105 -1.624 8.596 1.102 1.00 0.00 O ATOM 1323 CB THR A 105 -2.634 8.397 -1.766 1.00 0.00 C ATOM 1324 OG1 THR A 105 -2.906 7.771 -3.015 1.00 0.00 O ATOM 1325 CG2 THR A 105 -2.603 9.904 -2.059 1.00 0.00 C ATOM 0 H THR A 105 -2.071 6.165 -0.008 1.00 0.00 H new ATOM 0 HA THR A 105 -0.575 8.002 -1.915 1.00 0.00 H new ATOM 0 HB THR A 105 -3.390 8.209 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.729 8.143 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 105 -3.558 10.212 -2.484 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.425 10.451 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.804 10.121 -2.768 1.00 0.00 H new ATOM 1333 N CYS A 106 0.456 8.926 0.202 1.00 0.00 N ATOM 1334 CA CYS A 106 1.091 9.419 1.458 1.00 0.00 C ATOM 1335 C CYS A 106 1.889 10.770 1.411 1.00 0.00 C ATOM 1336 O CYS A 106 2.477 11.180 0.404 1.00 0.00 O ATOM 1337 CB CYS A 106 1.996 8.272 2.006 1.00 0.00 C ATOM 1338 SG CYS A 106 3.002 7.360 0.785 1.00 0.00 S ATOM 0 H CYS A 106 1.072 8.948 -0.610 1.00 0.00 H new ATOM 0 HA CYS A 106 0.258 9.677 2.113 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.669 8.697 2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.359 7.555 2.524 1.00 0.00 H new ATOM 0 HG CYS A 106 2.787 7.844 -0.402 1.00 0.00 H new ATOM 1344 N LYS A 107 1.909 11.437 2.582 1.00 0.00 N ATOM 1345 CA LYS A 107 2.666 12.693 2.829 1.00 0.00 C ATOM 1346 C LYS A 107 4.133 12.349 3.296 1.00 0.00 C ATOM 1347 O LYS A 107 4.272 11.427 4.116 1.00 0.00 O ATOM 1348 CB LYS A 107 1.897 13.466 3.941 1.00 0.00 C ATOM 1349 CG LYS A 107 2.173 14.986 4.065 1.00 0.00 C ATOM 1350 CD LYS A 107 3.309 15.354 5.039 1.00 0.00 C ATOM 1351 CE LYS A 107 3.537 16.870 5.109 1.00 0.00 C ATOM 1352 NZ LYS A 107 4.634 17.165 6.051 1.00 0.00 N ATOM 0 H LYS A 107 1.392 11.117 3.401 1.00 0.00 H new ATOM 0 HA LYS A 107 2.744 13.299 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.829 13.329 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.130 13.001 4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.417 15.379 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.259 15.483 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.070 14.977 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.230 14.863 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.781 17.257 4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.624 17.370 5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.786 18.193 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.385 16.810 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.506 16.700 5.725 1.00 0.00 H new ATOM 1365 N PRO A 108 5.242 13.062 2.921 1.00 0.00 N ATOM 1366 CA PRO A 108 6.624 12.701 3.366 1.00 0.00 C ATOM 1367 C PRO A 108 6.949 12.553 4.887 1.00 0.00 C ATOM 1368 O PRO A 108 7.991 11.988 5.209 1.00 0.00 O ATOM 1369 CB PRO A 108 7.542 13.650 2.573 1.00 0.00 C ATOM 1370 CG PRO A 108 6.685 14.037 1.389 1.00 0.00 C ATOM 1371 CD PRO A 108 5.247 14.122 1.897 1.00 0.00 C ATOM 0 HA PRO A 108 6.789 11.647 3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.832 14.519 3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.462 13.155 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.006 14.993 0.975 1.00 0.00 H new ATOM 0 HG3 PRO A 108 6.771 13.299 0.592 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.016 15.101 2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.520 13.934 1.107 1.00 0.00 H new ATOM 1379 N GLU A 109 6.083 12.983 5.825 1.00 0.00 N ATOM 1380 CA GLU A 109 6.270 12.706 7.278 1.00 0.00 C ATOM 1381 C GLU A 109 6.243 11.178 7.635 1.00 0.00 C ATOM 1382 O GLU A 109 7.026 10.695 8.453 1.00 0.00 O ATOM 1383 CB GLU A 109 5.205 13.550 8.033 1.00 0.00 C ATOM 1384 CG GLU A 109 5.235 13.479 9.582 1.00 0.00 C ATOM 1385 CD GLU A 109 4.023 14.142 10.228 1.00 0.00 C ATOM 1386 OE1 GLU A 109 4.001 15.305 10.616 1.00 0.00 O ATOM 1387 OE2 GLU A 109 2.956 13.301 10.306 1.00 0.00 O ATOM 0 H GLU A 109 5.245 13.524 5.611 1.00 0.00 H new ATOM 0 HA GLU A 109 7.270 13.002 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.324 14.592 7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.218 13.234 7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.281 12.435 9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.143 13.960 9.946 1.00 0.00 H new ATOM 1395 N TYR A 110 5.327 10.442 7.001 1.00 0.00 N ATOM 1396 CA TYR A 110 5.247 8.976 7.059 1.00 0.00 C ATOM 1397 C TYR A 110 6.237 8.254 6.057 1.00 0.00 C ATOM 1398 O TYR A 110 6.290 7.023 6.073 1.00 0.00 O ATOM 1399 CB TYR A 110 3.756 8.665 6.740 1.00 0.00 C ATOM 1400 CG TYR A 110 2.688 8.778 7.861 1.00 0.00 C ATOM 1401 CD1 TYR A 110 2.694 9.813 8.805 1.00 0.00 C ATOM 1402 CD2 TYR A 110 1.647 7.840 7.905 1.00 0.00 C ATOM 1403 CE1 TYR A 110 1.680 9.921 9.750 1.00 0.00 C ATOM 1404 CE2 TYR A 110 0.630 7.951 8.850 1.00 0.00 C ATOM 1405 CZ TYR A 110 0.637 9.003 9.756 1.00 0.00 C ATOM 1406 OH TYR A 110 -0.399 9.160 10.632 1.00 0.00 O ATOM 0 H TYR A 110 4.601 10.857 6.418 1.00 0.00 H new ATOM 0 HA TYR A 110 5.556 8.597 8.033 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.451 9.330 5.932 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.712 7.648 6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.496 10.536 8.799 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.634 7.023 7.199 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.703 10.718 10.479 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.164 7.219 8.878 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.046 8.435 10.507 1.00 0.00 H new ATOM 1416 N ALA A 111 7.009 8.969 5.199 1.00 0.00 N ATOM 1417 CA ALA A 111 7.909 8.330 4.192 1.00 0.00 C ATOM 1418 C ALA A 111 9.387 8.880 4.144 1.00 0.00 C ATOM 1419 O ALA A 111 10.126 8.657 5.104 1.00 0.00 O ATOM 1420 CB ALA A 111 7.122 8.397 2.863 1.00 0.00 C ATOM 0 H ALA A 111 7.029 9.989 5.181 1.00 0.00 H new ATOM 0 HA ALA A 111 8.129 7.298 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.714 7.947 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.183 7.854 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.913 9.438 2.616 1.00 0.00 H new ATOM 1426 N TYR A 112 9.854 9.539 3.051 1.00 0.00 N ATOM 1427 CA TYR A 112 11.274 10.054 2.954 1.00 0.00 C ATOM 1428 C TYR A 112 11.454 11.584 3.321 1.00 0.00 C ATOM 1429 O TYR A 112 12.547 12.107 3.106 1.00 0.00 O ATOM 1430 CB TYR A 112 12.010 9.685 1.605 1.00 0.00 C ATOM 1431 CG TYR A 112 11.672 8.339 0.925 1.00 0.00 C ATOM 1432 CD1 TYR A 112 12.093 7.149 1.529 1.00 0.00 C ATOM 1433 CD2 TYR A 112 10.991 8.275 -0.293 1.00 0.00 C ATOM 1434 CE1 TYR A 112 11.829 5.916 0.934 1.00 0.00 C ATOM 1435 CE2 TYR A 112 10.756 7.038 -0.902 1.00 0.00 C ATOM 1436 CZ TYR A 112 11.165 5.864 -0.284 1.00 0.00 C ATOM 1437 OH TYR A 112 10.938 4.663 -0.898 1.00 0.00 O ATOM 0 H TYR A 112 9.286 9.732 2.226 1.00 0.00 H new ATOM 0 HA TYR A 112 11.782 9.499 3.743 1.00 0.00 H new ATOM 0 HB2 TYR A 112 11.805 10.480 0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.083 9.699 1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.628 7.186 2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 112 10.645 9.183 -0.765 1.00 0.00 H new ATOM 0 HE1 TYR A 112 12.140 5.003 1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.254 6.996 -1.857 1.00 0.00 H new ATOM 0 HH TYR A 112 10.475 4.813 -1.748 1.00 0.00 H new ATOM 1447 N GLY A 113 10.460 12.345 3.847 1.00 0.00 N ATOM 1448 CA GLY A 113 10.653 13.769 4.265 1.00 0.00 C ATOM 1449 C GLY A 113 11.766 14.030 5.312 1.00 0.00 C ATOM 1450 O GLY A 113 11.945 13.254 6.251 1.00 0.00 O ATOM 0 H GLY A 113 9.512 12.000 3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.873 14.360 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.710 14.139 4.668 1.00 0.00 H new ATOM 1454 N SER A 114 12.504 15.138 5.151 1.00 0.00 N ATOM 1455 CA SER A 114 13.692 15.495 5.999 1.00 0.00 C ATOM 1456 C SER A 114 14.995 14.707 5.612 1.00 0.00 C ATOM 1457 O SER A 114 16.024 15.327 5.335 1.00 0.00 O ATOM 1458 CB SER A 114 13.444 15.536 7.532 1.00 0.00 C ATOM 1459 OG SER A 114 12.317 16.350 7.853 1.00 0.00 O ATOM 0 H SER A 114 12.306 15.829 4.427 1.00 0.00 H new ATOM 0 HA SER A 114 13.869 16.539 5.741 1.00 0.00 H new ATOM 0 HB2 SER A 114 13.282 14.524 7.904 1.00 0.00 H new ATOM 0 HB3 SER A 114 14.330 15.923 8.036 1.00 0.00 H new ATOM 0 HG SER A 114 12.184 16.356 8.824 1.00 0.00 H new ATOM 1465 N ALA A 115 14.952 13.363 5.581 1.00 0.00 N ATOM 1466 CA ALA A 115 16.117 12.508 5.231 1.00 0.00 C ATOM 1467 C ALA A 115 16.359 12.182 3.716 1.00 0.00 C ATOM 1468 O ALA A 115 17.493 12.313 3.248 1.00 0.00 O ATOM 1469 CB ALA A 115 15.987 11.237 6.096 1.00 0.00 C ATOM 0 H ALA A 115 14.109 12.831 5.797 1.00 0.00 H new ATOM 0 HA ALA A 115 17.017 13.084 5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 115 16.819 10.565 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 115 16.003 11.512 7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 115 15.047 10.735 5.866 1.00 0.00 H new ATOM 1475 N GLY A 116 15.342 11.731 2.962 1.00 0.00 N ATOM 1476 CA GLY A 116 15.487 11.344 1.543 1.00 0.00 C ATOM 1477 C GLY A 116 15.832 9.853 1.320 1.00 0.00 C ATOM 1478 O GLY A 116 16.396 9.187 2.194 1.00 0.00 O ATOM 0 H GLY A 116 14.392 11.623 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.558 11.572 1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 116 16.266 11.957 1.090 1.00 0.00 H new ATOM 1482 N SER A 117 15.453 9.296 0.158 1.00 0.00 N ATOM 1483 CA SER A 117 15.793 7.885 -0.184 1.00 0.00 C ATOM 1484 C SER A 117 17.267 7.865 -0.757 1.00 0.00 C ATOM 1485 O SER A 117 17.419 8.329 -1.893 1.00 0.00 O ATOM 1486 CB SER A 117 14.770 7.268 -1.167 1.00 0.00 C ATOM 1487 OG SER A 117 14.956 5.856 -1.267 1.00 0.00 O ATOM 0 H SER A 117 14.917 9.785 -0.559 1.00 0.00 H new ATOM 0 HA SER A 117 15.743 7.263 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.757 7.483 -0.828 1.00 0.00 H new ATOM 0 HB3 SER A 117 14.881 7.725 -2.150 1.00 0.00 H new ATOM 0 HG SER A 117 14.299 5.483 -1.891 1.00 0.00 H new ATOM 1493 N PRO A 118 18.335 7.365 -0.050 1.00 0.00 N ATOM 1494 CA PRO A 118 19.772 7.416 -0.479 1.00 0.00 C ATOM 1495 C PRO A 118 20.217 7.992 -1.890 1.00 0.00 C ATOM 1496 O PRO A 118 20.249 9.226 -1.958 1.00 0.00 O ATOM 1497 CB PRO A 118 20.278 6.070 0.073 1.00 0.00 C ATOM 1498 CG PRO A 118 19.561 5.954 1.423 1.00 0.00 C ATOM 1499 CD PRO A 118 18.179 6.574 1.190 1.00 0.00 C ATOM 0 HA PRO A 118 20.322 8.275 -0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 118 20.025 5.242 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 118 21.362 6.065 0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 118 19.479 4.914 1.739 1.00 0.00 H new ATOM 0 HG3 PRO A 118 20.105 6.483 2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 118 17.413 5.807 1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 118 17.880 7.204 2.028 1.00 0.00 H new ATOM 1507 N PRO A 119 20.537 7.288 -3.019 1.00 0.00 N ATOM 1508 CA PRO A 119 20.909 7.971 -4.303 1.00 0.00 C ATOM 1509 C PRO A 119 19.711 8.320 -5.273 1.00 0.00 C ATOM 1510 O PRO A 119 19.872 8.242 -6.495 1.00 0.00 O ATOM 1511 CB PRO A 119 21.883 6.913 -4.869 1.00 0.00 C ATOM 1512 CG PRO A 119 21.265 5.570 -4.469 1.00 0.00 C ATOM 1513 CD PRO A 119 20.715 5.824 -3.065 1.00 0.00 C ATOM 0 HA PRO A 119 21.318 8.972 -4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 119 21.978 7.000 -5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 119 22.883 7.030 -4.451 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.476 5.271 -5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 119 22.008 4.772 -4.469 1.00 0.00 H new ATOM 0 HD2 PRO A 119 19.773 5.301 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 119 21.406 5.480 -2.296 1.00 0.00 H new ATOM 1521 N LYS A 120 18.531 8.731 -4.763 1.00 0.00 N ATOM 1522 CA LYS A 120 17.321 8.989 -5.590 1.00 0.00 C ATOM 1523 C LYS A 120 16.350 10.149 -5.171 1.00 0.00 C ATOM 1524 O LYS A 120 15.689 10.696 -6.059 1.00 0.00 O ATOM 1525 CB LYS A 120 16.460 7.685 -5.686 1.00 0.00 C ATOM 1526 CG LYS A 120 17.085 6.454 -6.389 1.00 0.00 C ATOM 1527 CD LYS A 120 16.152 5.229 -6.486 1.00 0.00 C ATOM 1528 CE LYS A 120 15.831 4.581 -5.128 1.00 0.00 C ATOM 1529 NZ LYS A 120 15.065 3.340 -5.339 1.00 0.00 N ATOM 0 H LYS A 120 18.385 8.895 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 120 17.760 9.319 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.187 7.389 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 120 15.534 7.933 -6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 120 17.391 6.742 -7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 120 17.988 6.165 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 120 15.220 5.532 -6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 120 16.614 4.483 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 120 16.754 4.363 -4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 120 15.258 5.273 -4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.552 3.096 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.385 3.479 -6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 15.716 2.567 -5.585 1.00 0.00 H new ATOM 1542 N ILE A 121 16.192 10.503 -3.879 1.00 0.00 N ATOM 1543 CA ILE A 121 15.157 11.497 -3.428 1.00 0.00 C ATOM 1544 C ILE A 121 15.738 12.619 -2.485 1.00 0.00 C ATOM 1545 O ILE A 121 16.479 12.266 -1.559 1.00 0.00 O ATOM 1546 CB ILE A 121 13.956 10.692 -2.775 1.00 0.00 C ATOM 1547 CG1 ILE A 121 13.094 10.003 -3.869 1.00 0.00 C ATOM 1548 CG2 ILE A 121 13.054 11.485 -1.789 1.00 0.00 C ATOM 1549 CD1 ILE A 121 11.896 9.174 -3.429 1.00 0.00 C ATOM 0 H ILE A 121 16.759 10.125 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 121 14.792 12.053 -4.292 1.00 0.00 H new ATOM 0 HB ILE A 121 14.447 9.946 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 121 12.732 10.779 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 121 13.750 9.356 -4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 121 12.269 10.831 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.657 11.851 -0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 121 12.602 12.330 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 121 11.398 8.760 -4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 121 12.233 8.361 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 121 11.198 9.806 -2.880 1.00 0.00 H new ATOM 1561 N PRO A 122 15.397 13.945 -2.604 1.00 0.00 N ATOM 1562 CA PRO A 122 15.880 14.979 -1.644 1.00 0.00 C ATOM 1563 C PRO A 122 14.961 15.098 -0.351 1.00 0.00 C ATOM 1564 O PRO A 122 13.994 14.335 -0.224 1.00 0.00 O ATOM 1565 CB PRO A 122 15.871 16.207 -2.580 1.00 0.00 C ATOM 1566 CG PRO A 122 14.656 16.021 -3.491 1.00 0.00 C ATOM 1567 CD PRO A 122 14.515 14.507 -3.657 1.00 0.00 C ATOM 0 HA PRO A 122 16.847 14.791 -1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 122 15.796 17.133 -2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 122 16.792 16.264 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 122 13.760 16.455 -3.047 1.00 0.00 H new ATOM 0 HG3 PRO A 122 14.805 16.512 -4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 122 13.482 14.186 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 122 14.825 14.184 -4.651 1.00 0.00 H new ATOM 1575 N PRO A 123 15.169 16.042 0.616 1.00 0.00 N ATOM 1576 CA PRO A 123 14.300 16.167 1.836 1.00 0.00 C ATOM 1577 C PRO A 123 12.749 16.448 1.734 1.00 0.00 C ATOM 1578 O PRO A 123 12.124 16.713 2.766 1.00 0.00 O ATOM 1579 CB PRO A 123 15.027 17.285 2.611 1.00 0.00 C ATOM 1580 CG PRO A 123 16.495 17.139 2.222 1.00 0.00 C ATOM 1581 CD PRO A 123 16.432 16.804 0.735 1.00 0.00 C ATOM 0 HA PRO A 123 14.218 15.178 2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 123 14.642 18.268 2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 123 14.890 17.174 3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 123 17.053 18.058 2.404 1.00 0.00 H new ATOM 0 HG3 PRO A 123 16.986 16.350 2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 123 16.420 17.703 0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 123 17.291 16.213 0.418 1.00 0.00 H new ATOM 1589 N ASN A 124 12.103 16.401 0.554 1.00 0.00 N ATOM 1590 CA ASN A 124 10.644 16.638 0.401 1.00 0.00 C ATOM 1591 C ASN A 124 10.104 15.977 -0.938 1.00 0.00 C ATOM 1592 O ASN A 124 10.190 16.629 -1.985 1.00 0.00 O ATOM 1593 CB ASN A 124 10.354 18.169 0.456 1.00 0.00 C ATOM 1594 CG ASN A 124 8.878 18.551 0.644 1.00 0.00 C ATOM 1595 OD1 ASN A 124 7.948 17.770 0.475 1.00 0.00 O ATOM 1596 ND2 ASN A 124 8.599 19.774 1.012 1.00 0.00 N ATOM 0 H ASN A 124 12.575 16.197 -0.327 1.00 0.00 H new ATOM 0 HA ASN A 124 10.111 16.163 1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.931 18.602 1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.715 18.624 -0.466 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.629 20.056 1.151 1.00 0.00 H new ATOM 0 HD22 ASN A 124 9.352 20.446 1.160 1.00 0.00 H new ATOM 1603 N ALA A 125 9.574 14.725 -0.983 1.00 0.00 N ATOM 1604 CA ALA A 125 8.976 14.163 -2.236 1.00 0.00 C ATOM 1605 C ALA A 125 7.621 13.486 -1.890 1.00 0.00 C ATOM 1606 O ALA A 125 7.613 12.350 -1.408 1.00 0.00 O ATOM 1607 CB ALA A 125 9.924 13.183 -2.972 1.00 0.00 C ATOM 0 H ALA A 125 9.546 14.092 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 125 8.811 14.987 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.434 12.810 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.842 13.702 -3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 125 10.164 12.346 -2.316 1.00 0.00 H new ATOM 1613 N THR A 126 6.471 14.173 -2.095 1.00 0.00 N ATOM 1614 CA THR A 126 5.113 13.582 -1.831 1.00 0.00 C ATOM 1615 C THR A 126 4.922 12.311 -2.740 1.00 0.00 C ATOM 1616 O THR A 126 5.246 12.394 -3.930 1.00 0.00 O ATOM 1617 CB THR A 126 4.029 14.679 -2.014 1.00 0.00 C ATOM 1618 OG1 THR A 126 4.261 15.760 -1.113 1.00 0.00 O ATOM 1619 CG2 THR A 126 2.602 14.211 -1.716 1.00 0.00 C ATOM 0 H THR A 126 6.444 15.132 -2.440 1.00 0.00 H new ATOM 0 HA THR A 126 5.014 13.237 -0.802 1.00 0.00 H new ATOM 0 HB THR A 126 4.108 14.961 -3.064 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.572 16.445 -1.240 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.909 15.038 -1.868 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.341 13.391 -2.385 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.539 13.871 -0.682 1.00 0.00 H new ATOM 1627 N LEU A 127 4.471 11.146 -2.230 1.00 0.00 N ATOM 1628 CA LEU A 127 4.541 9.891 -3.023 1.00 0.00 C ATOM 1629 C LEU A 127 3.299 8.955 -2.871 1.00 0.00 C ATOM 1630 O LEU A 127 2.328 9.188 -2.142 1.00 0.00 O ATOM 1631 CB LEU A 127 5.955 9.254 -2.776 1.00 0.00 C ATOM 1632 CG LEU A 127 6.475 9.022 -1.337 1.00 0.00 C ATOM 1633 CD1 LEU A 127 5.449 8.284 -0.497 1.00 0.00 C ATOM 1634 CD2 LEU A 127 7.750 8.194 -1.353 1.00 0.00 C ATOM 0 H LEU A 127 4.065 11.043 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 127 4.462 10.108 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.964 8.288 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.685 9.885 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 127 6.668 10.004 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 127 5.842 8.135 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 127 4.532 8.870 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 127 5.236 7.316 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.098 8.043 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.550 7.227 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 127 8.517 8.718 -1.924 1.00 0.00 H new ATOM 1646 N VAL A 128 3.374 7.871 -3.632 1.00 0.00 N ATOM 1647 CA VAL A 128 2.347 6.843 -3.792 1.00 0.00 C ATOM 1648 C VAL A 128 3.060 5.477 -4.046 1.00 0.00 C ATOM 1649 O VAL A 128 4.099 5.406 -4.719 1.00 0.00 O ATOM 1650 CB VAL A 128 1.448 7.180 -5.037 1.00 0.00 C ATOM 1651 CG1 VAL A 128 0.327 8.211 -4.798 1.00 0.00 C ATOM 1652 CG2 VAL A 128 2.157 7.539 -6.366 1.00 0.00 C ATOM 0 H VAL A 128 4.204 7.671 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 128 1.726 6.798 -2.898 1.00 0.00 H new ATOM 0 HB VAL A 128 1.011 6.190 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -0.228 8.366 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.349 7.841 -4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.764 9.156 -4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.410 7.746 -7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.781 8.421 -6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.780 6.703 -6.683 1.00 0.00 H new ATOM 1662 N PHE A 129 2.488 4.384 -3.534 1.00 0.00 N ATOM 1663 CA PHE A 129 3.003 3.018 -3.853 1.00 0.00 C ATOM 1664 C PHE A 129 1.802 2.111 -4.206 1.00 0.00 C ATOM 1665 O PHE A 129 0.880 1.929 -3.412 1.00 0.00 O ATOM 1666 CB PHE A 129 3.900 2.254 -2.850 1.00 0.00 C ATOM 1667 CG PHE A 129 5.103 2.932 -2.191 1.00 0.00 C ATOM 1668 CD1 PHE A 129 4.945 4.071 -1.404 1.00 0.00 C ATOM 1669 CD2 PHE A 129 6.372 2.359 -2.311 1.00 0.00 C ATOM 1670 CE1 PHE A 129 6.053 4.695 -0.842 1.00 0.00 C ATOM 1671 CE2 PHE A 129 7.476 2.958 -1.714 1.00 0.00 C ATOM 1672 CZ PHE A 129 7.320 4.140 -0.999 1.00 0.00 C ATOM 0 H PHE A 129 1.683 4.399 -2.907 1.00 0.00 H new ATOM 0 HA PHE A 129 3.698 3.231 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.252 1.903 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.275 1.371 -3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 129 3.957 4.471 -1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.496 1.444 -2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 129 5.931 5.611 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 129 8.453 2.506 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.181 4.627 -0.566 1.00 0.00 H new ATOM 1682 N GLU A 130 1.827 1.498 -5.382 1.00 0.00 N ATOM 1683 CA GLU A 130 0.786 0.534 -5.796 1.00 0.00 C ATOM 1684 C GLU A 130 1.218 -0.855 -5.310 1.00 0.00 C ATOM 1685 O GLU A 130 2.064 -1.512 -5.922 1.00 0.00 O ATOM 1686 CB GLU A 130 0.584 0.701 -7.310 1.00 0.00 C ATOM 1687 CG GLU A 130 -0.630 0.073 -8.009 1.00 0.00 C ATOM 1688 CD GLU A 130 -0.706 -1.418 -8.377 1.00 0.00 C ATOM 1689 OE1 GLU A 130 -1.624 -1.869 -9.052 1.00 0.00 O ATOM 1690 OE2 GLU A 130 0.339 -2.167 -7.923 1.00 0.00 O ATOM 0 H GLU A 130 2.557 1.645 -6.079 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.195 0.700 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.555 1.771 -7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.475 0.308 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.493 0.280 -7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.775 0.628 -8.936 1.00 0.00 H new ATOM 1698 N VAL A 131 0.659 -1.241 -4.166 1.00 0.00 N ATOM 1699 CA VAL A 131 1.030 -2.494 -3.492 1.00 0.00 C ATOM 1700 C VAL A 131 -0.157 -3.477 -3.662 1.00 0.00 C ATOM 1701 O VAL A 131 -1.317 -3.071 -3.603 1.00 0.00 O ATOM 1702 CB VAL A 131 1.365 -2.205 -1.986 1.00 0.00 C ATOM 1703 CG1 VAL A 131 2.222 -3.343 -1.399 1.00 0.00 C ATOM 1704 CG2 VAL A 131 2.124 -0.899 -1.646 1.00 0.00 C ATOM 0 H VAL A 131 -0.058 -0.703 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 131 1.924 -2.941 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 131 0.368 -2.110 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 131 2.446 -3.128 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.674 -4.283 -1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.153 -3.424 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.282 -0.840 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.088 -0.895 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.537 -0.041 -1.974 1.00 0.00 H new ATOM 1714 N GLU A 132 0.136 -4.752 -3.890 1.00 0.00 N ATOM 1715 CA GLU A 132 -0.915 -5.817 -3.980 1.00 0.00 C ATOM 1716 C GLU A 132 -0.495 -6.917 -2.961 1.00 0.00 C ATOM 1717 O GLU A 132 0.604 -7.478 -3.066 1.00 0.00 O ATOM 1718 CB GLU A 132 -1.085 -6.351 -5.421 1.00 0.00 C ATOM 1719 CG GLU A 132 -1.692 -5.317 -6.408 1.00 0.00 C ATOM 1720 CD GLU A 132 -2.229 -5.918 -7.697 1.00 0.00 C ATOM 1721 OE1 GLU A 132 -3.403 -6.228 -7.864 1.00 0.00 O ATOM 1722 OE2 GLU A 132 -1.264 -6.075 -8.642 1.00 0.00 O ATOM 0 H GLU A 132 1.087 -5.096 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.901 -5.426 -3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -0.113 -6.670 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -1.723 -7.234 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -2.500 -4.785 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.929 -4.579 -6.656 1.00 0.00 H new ATOM 1730 N LEU A 133 -1.332 -7.205 -1.950 1.00 0.00 N ATOM 1731 CA LEU A 133 -0.949 -8.166 -0.877 1.00 0.00 C ATOM 1732 C LEU A 133 -1.456 -9.612 -1.100 1.00 0.00 C ATOM 1733 O LEU A 133 -2.656 -9.859 -1.093 1.00 0.00 O ATOM 1734 CB LEU A 133 -1.510 -7.608 0.445 1.00 0.00 C ATOM 1735 CG LEU A 133 -1.061 -8.300 1.748 1.00 0.00 C ATOM 1736 CD1 LEU A 133 0.449 -8.418 1.974 1.00 0.00 C ATOM 1737 CD2 LEU A 133 -1.612 -7.498 2.927 1.00 0.00 C ATOM 0 H LEU A 133 -2.262 -6.800 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 133 0.138 -8.250 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -1.237 -6.555 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -2.598 -7.653 0.396 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.441 -9.318 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 133 0.637 -8.922 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 133 0.894 -8.994 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 133 0.892 -7.422 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -1.307 -7.969 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -1.222 -6.481 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -2.700 -7.472 2.872 1.00 0.00 H new ATOM 1749 N PHE A 134 -0.547 -10.581 -1.149 1.00 0.00 N ATOM 1750 CA PHE A 134 -0.887 -12.004 -1.429 1.00 0.00 C ATOM 1751 C PHE A 134 -1.274 -12.890 -0.199 1.00 0.00 C ATOM 1752 O PHE A 134 -2.222 -13.674 -0.257 1.00 0.00 O ATOM 1753 CB PHE A 134 0.296 -12.625 -2.225 1.00 0.00 C ATOM 1754 CG PHE A 134 0.634 -11.933 -3.561 1.00 0.00 C ATOM 1755 CD1 PHE A 134 -0.252 -11.968 -4.645 1.00 0.00 C ATOM 1756 CD2 PHE A 134 1.767 -11.119 -3.628 1.00 0.00 C ATOM 1757 CE1 PHE A 134 -0.008 -11.187 -5.774 1.00 0.00 C ATOM 1758 CE2 PHE A 134 2.013 -10.352 -4.759 1.00 0.00 C ATOM 1759 CZ PHE A 134 1.122 -10.378 -5.828 1.00 0.00 C ATOM 0 H PHE A 134 0.449 -10.420 -0.998 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.812 -11.991 -2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 134 1.184 -12.609 -1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 134 0.066 -13.671 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.126 -12.601 -4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 134 2.455 -11.086 -2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -0.696 -11.210 -6.606 1.00 0.00 H new ATOM 0 HE2 PHE A 134 2.897 -9.734 -4.809 1.00 0.00 H new ATOM 0 HZ PHE A 134 1.308 -9.769 -6.700 1.00 0.00 H new ATOM 1769 N GLU A 135 -0.491 -12.815 0.879 1.00 0.00 N ATOM 1770 CA GLU A 135 -0.691 -13.602 2.127 1.00 0.00 C ATOM 1771 C GLU A 135 0.182 -12.964 3.269 1.00 0.00 C ATOM 1772 O GLU A 135 1.166 -12.242 3.063 1.00 0.00 O ATOM 1773 CB GLU A 135 -0.311 -15.097 1.860 1.00 0.00 C ATOM 1774 CG GLU A 135 -0.722 -16.114 2.959 1.00 0.00 C ATOM 1775 CD GLU A 135 -0.416 -17.564 2.599 1.00 0.00 C ATOM 1776 OE1 GLU A 135 -1.233 -18.337 2.112 1.00 0.00 O ATOM 1777 OE2 GLU A 135 0.868 -17.909 2.883 1.00 0.00 O ATOM 0 H GLU A 135 0.320 -12.197 0.924 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.734 -13.579 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.769 -15.404 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.769 -15.157 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -0.206 -15.862 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.790 -16.015 3.152 1.00 0.00 H new ATOM 1785 N PHE A 136 -0.228 -13.231 4.506 1.00 0.00 N ATOM 1786 CA PHE A 136 0.421 -12.717 5.748 1.00 0.00 C ATOM 1787 C PHE A 136 0.087 -13.816 6.819 1.00 0.00 C ATOM 1788 O PHE A 136 0.732 -14.861 6.915 1.00 0.00 O ATOM 1789 CB PHE A 136 0.007 -11.228 6.071 1.00 0.00 C ATOM 1790 CG PHE A 136 -1.443 -10.802 5.784 1.00 0.00 C ATOM 1791 CD1 PHE A 136 -1.754 -10.462 4.466 1.00 0.00 C ATOM 1792 CD2 PHE A 136 -2.471 -10.869 6.730 1.00 0.00 C ATOM 1793 CE1 PHE A 136 -3.064 -10.256 4.081 1.00 0.00 C ATOM 1794 CE2 PHE A 136 -3.794 -10.693 6.335 1.00 0.00 C ATOM 1795 CZ PHE A 136 -4.079 -10.382 5.009 1.00 0.00 C ATOM 0 H PHE A 136 -1.037 -13.822 4.696 1.00 0.00 H new ATOM 0 HA PHE A 136 1.502 -12.597 5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 136 0.205 -11.048 7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.666 -10.568 5.507 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -0.961 -10.359 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.238 -11.057 7.768 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -3.294 -9.997 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -4.594 -10.797 7.053 1.00 0.00 H new ATOM 0 HZ PHE A 136 -5.104 -10.238 4.702 1.00 0.00 H new ATOM 1805 N LYS A 137 -0.984 -13.571 7.572 1.00 0.00 N ATOM 1806 CA LYS A 137 -1.618 -14.501 8.525 1.00 0.00 C ATOM 1807 C LYS A 137 -3.130 -14.481 8.109 1.00 0.00 C ATOM 1808 O LYS A 137 -3.906 -13.606 8.508 1.00 0.00 O ATOM 1809 CB LYS A 137 -1.301 -13.991 9.950 1.00 0.00 C ATOM 1810 CG LYS A 137 -1.551 -15.039 11.043 1.00 0.00 C ATOM 1811 CD LYS A 137 -2.975 -15.102 11.643 1.00 0.00 C ATOM 1812 CE LYS A 137 -3.330 -13.987 12.647 1.00 0.00 C ATOM 1813 NZ LYS A 137 -3.818 -12.768 11.972 1.00 0.00 N ATOM 0 H LYS A 137 -1.464 -12.672 7.537 1.00 0.00 H new ATOM 0 HA LYS A 137 -1.269 -15.533 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.258 -13.676 9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.909 -13.110 10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -1.313 -16.020 10.632 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -0.849 -14.855 11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -3.695 -15.071 10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -3.097 -16.065 12.140 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -4.093 -14.349 13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -2.451 -13.743 13.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -4.409 -12.220 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -3.008 -12.190 11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -4.382 -13.034 11.140 1.00 0.00 H new ATOM 1826 N GLY A 138 -3.532 -15.436 7.257 1.00 0.00 N ATOM 1827 CA GLY A 138 -4.889 -15.475 6.659 1.00 0.00 C ATOM 1828 C GLY A 138 -5.285 -16.856 6.031 1.00 0.00 C ATOM 1829 O GLY A 138 -4.379 -17.559 5.578 1.00 0.00 O ATOM 0 H GLY A 138 -2.932 -16.205 6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.618 -15.217 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.954 -14.708 5.888 1.00 0.00 H new