USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=23 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 57 THR OG1 : rot -91:sc= 1.12 USER MOD Set 1.2: A 68 SER OG : rot -143:sc= 1.56 USER MOD Set 2.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 95 THR OG1 : rot -2:sc= 0.84 USER MOD Single : A 37 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.832) USER MOD Single : A 41 THR OG1 : rot -42:sc= 0.904 USER MOD Single : A 43 THR OG1 : rot -22:sc= 0.189 USER MOD Single : A 45 THR OG1 : rot -79:sc= -0.255 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-0.76) USER MOD Single : A 56 TYR OH : rot 86:sc= 0.234 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -62:sc= 1.34 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= 0.00591 (180deg=0.00203) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= 0.191 (180deg=0.154) USER MOD Single : A 96 MET CE :methyl 177:sc= -6.23! (180deg=-6.37!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= -10.4! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 120:sc= -1.16 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 180:sc= 0 USER MOD Single : A 114 SER OG : rot 98:sc= 0.664 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 166:sc= -0.0458 (180deg=-0.445) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLY A 31 -2.159 10.604 8.312 1.00 0.00 N ATOM 149 CA GLY A 31 -1.295 10.718 7.120 1.00 0.00 C ATOM 150 C GLY A 31 -1.538 10.028 5.776 1.00 0.00 C ATOM 151 O GLY A 31 -0.762 10.359 4.871 1.00 0.00 O ATOM 0 HA2 GLY A 31 -1.233 11.784 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.303 10.401 7.441 1.00 0.00 H new ATOM 155 N VAL A 32 -2.531 9.132 5.577 1.00 0.00 N ATOM 156 CA VAL A 32 -2.552 8.330 4.293 1.00 0.00 C ATOM 157 C VAL A 32 -3.971 8.058 3.632 1.00 0.00 C ATOM 158 O VAL A 32 -4.999 7.883 4.293 1.00 0.00 O ATOM 159 CB VAL A 32 -1.596 7.055 4.447 1.00 0.00 C ATOM 160 CG1 VAL A 32 -1.548 6.150 3.191 1.00 0.00 C ATOM 161 CG2 VAL A 32 -0.137 7.374 4.750 1.00 0.00 C ATOM 0 H VAL A 32 -3.290 8.939 6.230 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.137 8.973 3.517 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.063 6.552 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.880 5.309 3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.549 5.777 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.182 6.726 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.428 6.446 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.278 7.979 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.072 7.926 5.688 1.00 0.00 H new ATOM 171 N LEU A 33 -3.982 8.044 2.274 1.00 0.00 N ATOM 172 CA LEU A 33 -5.157 7.764 1.392 1.00 0.00 C ATOM 173 C LEU A 33 -4.988 6.342 0.712 1.00 0.00 C ATOM 174 O LEU A 33 -3.876 6.067 0.235 1.00 0.00 O ATOM 175 CB LEU A 33 -5.251 8.959 0.401 1.00 0.00 C ATOM 176 CG LEU A 33 -6.446 8.989 -0.593 1.00 0.00 C ATOM 177 CD1 LEU A 33 -6.761 10.437 -1.008 1.00 0.00 C ATOM 178 CD2 LEU A 33 -6.197 8.184 -1.880 1.00 0.00 C ATOM 0 H LEU A 33 -3.137 8.235 1.735 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.101 7.698 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.281 9.878 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.330 8.983 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.278 8.532 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.600 10.442 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.019 11.021 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.887 10.876 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.073 8.250 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.330 8.590 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.011 7.140 -1.626 1.00 0.00 H new ATOM 190 N LYS A 34 -6.000 5.424 0.608 1.00 0.00 N ATOM 191 CA LYS A 34 -5.795 4.070 0.018 1.00 0.00 C ATOM 192 C LYS A 34 -6.856 3.750 -1.088 1.00 0.00 C ATOM 193 O LYS A 34 -8.041 3.546 -0.802 1.00 0.00 O ATOM 194 CB LYS A 34 -5.791 3.025 1.168 1.00 0.00 C ATOM 195 CG LYS A 34 -4.571 3.088 2.128 1.00 0.00 C ATOM 196 CD LYS A 34 -4.897 2.729 3.589 1.00 0.00 C ATOM 197 CE LYS A 34 -5.687 3.814 4.341 1.00 0.00 C ATOM 198 NZ LYS A 34 -6.037 3.305 5.680 1.00 0.00 N ATOM 0 H LYS A 34 -6.954 5.599 0.923 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.832 4.033 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.700 3.154 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.834 2.028 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.800 2.410 1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.151 4.093 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.469 1.801 3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.965 2.538 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.092 4.723 4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.590 4.075 3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.572 4.031 6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.619 2.448 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.167 3.077 6.203 1.00 0.00 H new ATOM 211 N VAL A 35 -6.421 3.646 -2.358 1.00 0.00 N ATOM 212 CA VAL A 35 -7.365 3.408 -3.515 1.00 0.00 C ATOM 213 C VAL A 35 -7.502 1.883 -3.905 1.00 0.00 C ATOM 214 O VAL A 35 -6.623 1.364 -4.599 1.00 0.00 O ATOM 215 CB VAL A 35 -6.963 4.261 -4.773 1.00 0.00 C ATOM 216 CG1 VAL A 35 -8.100 4.349 -5.819 1.00 0.00 C ATOM 217 CG2 VAL A 35 -6.481 5.706 -4.525 1.00 0.00 C ATOM 0 H VAL A 35 -5.440 3.719 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.345 3.736 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.106 3.692 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.769 4.949 -6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.357 3.347 -6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.976 4.813 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.237 6.177 -5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.270 6.273 -4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.594 5.690 -3.891 1.00 0.00 H new ATOM 227 N ILE A 36 -8.578 1.167 -3.501 1.00 0.00 N ATOM 228 CA ILE A 36 -8.748 -0.310 -3.825 1.00 0.00 C ATOM 229 C ILE A 36 -8.600 -0.712 -5.346 1.00 0.00 C ATOM 230 O ILE A 36 -9.269 -0.180 -6.236 1.00 0.00 O ATOM 231 CB ILE A 36 -10.016 -1.015 -3.152 1.00 0.00 C ATOM 232 CG1 ILE A 36 -9.720 -1.535 -1.710 1.00 0.00 C ATOM 233 CG2 ILE A 36 -10.709 -2.188 -3.910 1.00 0.00 C ATOM 234 CD1 ILE A 36 -8.844 -2.813 -1.598 1.00 0.00 C ATOM 0 H ILE A 36 -9.344 1.562 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.868 -0.723 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.714 -0.178 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.230 -0.736 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.672 -1.730 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.549 -2.556 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.070 -1.834 -4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.993 -2.995 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.711 -3.072 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.335 -3.637 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.871 -2.628 -2.052 1.00 0.00 H new ATOM 246 N LYS A 37 -7.734 -1.710 -5.582 1.00 0.00 N ATOM 247 CA LYS A 37 -7.533 -2.365 -6.908 1.00 0.00 C ATOM 248 C LYS A 37 -7.888 -3.895 -6.884 1.00 0.00 C ATOM 249 O LYS A 37 -8.516 -4.406 -7.813 1.00 0.00 O ATOM 250 CB LYS A 37 -6.117 -2.078 -7.469 1.00 0.00 C ATOM 251 CG LYS A 37 -4.860 -2.658 -6.777 1.00 0.00 C ATOM 252 CD LYS A 37 -3.582 -2.329 -7.576 1.00 0.00 C ATOM 253 CE LYS A 37 -2.334 -2.963 -6.954 1.00 0.00 C ATOM 254 NZ LYS A 37 -1.151 -2.675 -7.788 1.00 0.00 N ATOM 0 H LYS A 37 -7.138 -2.100 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.242 -1.916 -7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.104 -2.427 -8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.997 -0.995 -7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.777 -2.252 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.962 -3.739 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.695 -2.682 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.453 -1.248 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.182 -2.574 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.471 -4.041 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.682 -3.567 -8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.448 -2.179 -8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.488 -2.076 -7.255 1.00 0.00 H new ATOM 267 N ARG A 38 -7.480 -4.616 -5.826 1.00 0.00 N ATOM 268 CA ARG A 38 -7.743 -6.061 -5.640 1.00 0.00 C ATOM 269 C ARG A 38 -8.352 -6.214 -4.199 1.00 0.00 C ATOM 270 O ARG A 38 -7.673 -5.869 -3.228 1.00 0.00 O ATOM 271 CB ARG A 38 -6.397 -6.822 -5.764 1.00 0.00 C ATOM 272 CG ARG A 38 -6.507 -8.369 -5.772 1.00 0.00 C ATOM 273 CD ARG A 38 -6.938 -8.941 -7.132 1.00 0.00 C ATOM 274 NE ARG A 38 -6.850 -10.421 -7.077 1.00 0.00 N ATOM 275 CZ ARG A 38 -7.242 -11.253 -8.030 1.00 0.00 C ATOM 276 NH1 ARG A 38 -7.759 -10.880 -9.163 1.00 0.00 N ATOM 277 NH2 ARG A 38 -7.098 -12.512 -7.812 1.00 0.00 N ATOM 0 H ARG A 38 -6.947 -4.206 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.430 -6.466 -6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.903 -6.505 -6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.753 -6.525 -4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.543 -8.796 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.224 -8.679 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.957 -8.632 -7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.298 -8.554 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.453 -10.833 -6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.885 -9.888 -9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.038 -11.579 -9.851 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.695 -12.834 -6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.387 -13.188 -8.519 1.00 0.00 H new ATOM 290 N GLU A 39 -9.628 -6.597 -4.020 1.00 0.00 N ATOM 291 CA GLU A 39 -10.191 -6.851 -2.650 1.00 0.00 C ATOM 292 C GLU A 39 -9.868 -8.283 -2.019 1.00 0.00 C ATOM 293 O GLU A 39 -9.075 -9.062 -2.550 1.00 0.00 O ATOM 294 CB GLU A 39 -11.701 -6.473 -2.654 1.00 0.00 C ATOM 295 CG GLU A 39 -12.643 -7.317 -3.556 1.00 0.00 C ATOM 296 CD GLU A 39 -14.090 -6.837 -3.545 1.00 0.00 C ATOM 297 OE1 GLU A 39 -14.538 -5.999 -4.319 1.00 0.00 O ATOM 298 OE2 GLU A 39 -14.829 -7.437 -2.575 1.00 0.00 O ATOM 0 H GLU A 39 -10.292 -6.740 -4.781 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.663 -6.201 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.068 -6.537 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.787 -5.430 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.269 -7.294 -4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.611 -8.356 -3.228 1.00 0.00 H new ATOM 306 N GLY A 40 -10.469 -8.619 -0.852 1.00 0.00 N ATOM 307 CA GLY A 40 -10.218 -9.885 -0.104 1.00 0.00 C ATOM 308 C GLY A 40 -10.533 -11.289 -0.670 1.00 0.00 C ATOM 309 O GLY A 40 -11.375 -11.486 -1.546 1.00 0.00 O ATOM 0 H GLY A 40 -11.151 -8.014 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.158 -9.887 0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.768 -9.802 0.833 1.00 0.00 H new ATOM 313 N THR A 41 -9.846 -12.275 -0.075 1.00 0.00 N ATOM 314 CA THR A 41 -9.977 -13.727 -0.401 1.00 0.00 C ATOM 315 C THR A 41 -10.203 -14.423 0.980 1.00 0.00 C ATOM 316 O THR A 41 -11.319 -14.825 1.315 1.00 0.00 O ATOM 317 CB THR A 41 -8.743 -14.218 -1.234 1.00 0.00 C ATOM 318 OG1 THR A 41 -7.513 -14.003 -0.545 1.00 0.00 O ATOM 319 CG2 THR A 41 -8.591 -13.520 -2.591 1.00 0.00 C ATOM 0 H THR A 41 -9.166 -12.095 0.664 1.00 0.00 H new ATOM 0 HA THR A 41 -10.814 -13.972 -1.055 1.00 0.00 H new ATOM 0 HB THR A 41 -8.944 -15.279 -1.384 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.525 -13.119 -0.122 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.715 -13.914 -3.107 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.480 -13.701 -3.195 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.470 -12.448 -2.437 1.00 0.00 H new ATOM 327 N GLY A 42 -9.143 -14.511 1.804 1.00 0.00 N ATOM 328 CA GLY A 42 -9.225 -14.941 3.209 1.00 0.00 C ATOM 329 C GLY A 42 -9.596 -13.704 4.066 1.00 0.00 C ATOM 330 O GLY A 42 -8.827 -12.749 4.169 1.00 0.00 O ATOM 0 H GLY A 42 -8.194 -14.282 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.974 -15.724 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.273 -15.360 3.536 1.00 0.00 H new ATOM 334 N THR A 43 -10.775 -13.714 4.686 1.00 0.00 N ATOM 335 CA THR A 43 -11.293 -12.559 5.493 1.00 0.00 C ATOM 336 C THR A 43 -10.458 -12.046 6.715 1.00 0.00 C ATOM 337 O THR A 43 -10.754 -10.965 7.231 1.00 0.00 O ATOM 338 CB THR A 43 -12.787 -12.757 5.888 1.00 0.00 C ATOM 339 OG1 THR A 43 -13.502 -11.701 6.516 1.00 0.00 O ATOM 340 CG2 THR A 43 -13.059 -13.937 6.855 1.00 0.00 C ATOM 0 H THR A 43 -11.412 -14.510 4.657 1.00 0.00 H new ATOM 0 HA THR A 43 -11.177 -11.742 4.781 1.00 0.00 H new ATOM 0 HB THR A 43 -13.140 -12.894 4.866 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.869 -11.082 6.937 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.126 -13.993 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.733 -14.869 6.393 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.510 -13.781 7.783 1.00 0.00 H new ATOM 348 N GLU A 44 -9.463 -12.806 7.200 1.00 0.00 N ATOM 349 CA GLU A 44 -8.614 -12.379 8.336 1.00 0.00 C ATOM 350 C GLU A 44 -7.550 -11.262 8.048 1.00 0.00 C ATOM 351 O GLU A 44 -6.956 -11.134 6.972 1.00 0.00 O ATOM 352 CB GLU A 44 -8.002 -13.627 9.040 1.00 0.00 C ATOM 353 CG GLU A 44 -9.005 -14.198 10.065 1.00 0.00 C ATOM 354 CD GLU A 44 -8.445 -15.082 11.178 1.00 0.00 C ATOM 355 OE1 GLU A 44 -8.345 -14.714 12.343 1.00 0.00 O ATOM 356 OE2 GLU A 44 -8.099 -16.325 10.745 1.00 0.00 O ATOM 0 H GLU A 44 -9.222 -13.723 6.825 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.293 -11.864 9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.753 -14.387 8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.073 -13.354 9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.526 -13.361 10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.752 -14.775 9.520 1.00 0.00 H new ATOM 364 N THR A 45 -7.354 -10.504 9.136 1.00 0.00 N ATOM 365 CA THR A 45 -6.488 -9.300 9.236 1.00 0.00 C ATOM 366 C THR A 45 -5.935 -9.249 10.708 1.00 0.00 C ATOM 367 O THR A 45 -6.644 -8.733 11.588 1.00 0.00 O ATOM 368 CB THR A 45 -7.426 -8.078 9.029 1.00 0.00 C ATOM 369 OG1 THR A 45 -8.007 -8.057 7.740 1.00 0.00 O ATOM 370 CG2 THR A 45 -6.781 -6.702 9.178 1.00 0.00 C ATOM 0 H THR A 45 -7.815 -10.717 10.021 1.00 0.00 H new ATOM 0 HA THR A 45 -5.670 -9.308 8.516 1.00 0.00 H new ATOM 0 HB THR A 45 -8.149 -8.231 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.353 -7.720 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.531 -5.929 9.012 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.370 -6.599 10.182 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.980 -6.594 8.446 1.00 0.00 H new ATOM 378 N PRO A 46 -4.719 -9.734 11.063 1.00 0.00 N ATOM 379 CA PRO A 46 -4.286 -9.689 12.496 1.00 0.00 C ATOM 380 C PRO A 46 -3.225 -8.628 12.958 1.00 0.00 C ATOM 381 O PRO A 46 -2.904 -8.553 14.146 1.00 0.00 O ATOM 382 CB PRO A 46 -4.171 -11.187 12.704 1.00 0.00 C ATOM 383 CG PRO A 46 -3.487 -11.686 11.434 1.00 0.00 C ATOM 384 CD PRO A 46 -4.062 -10.822 10.309 1.00 0.00 C ATOM 0 HA PRO A 46 -4.933 -9.211 13.231 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.584 -11.423 13.592 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.150 -11.648 12.837 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.404 -11.578 11.500 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.692 -12.743 11.264 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.284 -10.446 9.645 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.769 -11.375 9.691 1.00 0.00 H new ATOM 392 N MET A 47 -2.748 -7.763 12.044 1.00 0.00 N ATOM 393 CA MET A 47 -2.004 -6.501 12.384 1.00 0.00 C ATOM 394 C MET A 47 -0.526 -6.623 12.819 1.00 0.00 C ATOM 395 O MET A 47 0.246 -7.334 12.170 1.00 0.00 O ATOM 396 CB MET A 47 -3.009 -5.523 13.080 1.00 0.00 C ATOM 397 CG MET A 47 -4.315 -5.362 12.258 1.00 0.00 C ATOM 398 SD MET A 47 -5.283 -3.924 12.749 1.00 0.00 S ATOM 399 CE MET A 47 -6.182 -4.622 14.145 1.00 0.00 C ATOM 0 H MET A 47 -2.860 -7.906 11.040 1.00 0.00 H new ATOM 0 HA MET A 47 -1.680 -5.974 11.486 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.249 -5.896 14.076 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.538 -4.549 13.210 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.064 -5.280 11.200 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.923 -6.259 12.373 1.00 0.00 H new ATOM 0 HE1 MET A 47 -6.835 -3.862 14.574 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.782 -5.467 13.806 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.474 -4.960 14.901 1.00 0.00 H new ATOM 409 N ILE A 48 -0.086 -5.840 13.815 1.00 0.00 N ATOM 410 CA ILE A 48 1.348 -5.789 14.246 1.00 0.00 C ATOM 411 C ILE A 48 1.990 -7.217 14.455 1.00 0.00 C ATOM 412 O ILE A 48 1.374 -8.143 14.997 1.00 0.00 O ATOM 413 CB ILE A 48 1.561 -4.736 15.407 1.00 0.00 C ATOM 414 CG1 ILE A 48 2.710 -3.702 15.194 1.00 0.00 C ATOM 415 CG2 ILE A 48 1.796 -5.379 16.794 1.00 0.00 C ATOM 416 CD1 ILE A 48 2.631 -2.841 13.920 1.00 0.00 C ATOM 0 H ILE A 48 -0.697 -5.223 14.351 1.00 0.00 H new ATOM 0 HA ILE A 48 1.942 -5.400 13.419 1.00 0.00 H new ATOM 0 HB ILE A 48 0.609 -4.207 15.374 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.733 -3.035 16.056 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.657 -4.242 15.183 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.934 -4.596 17.539 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.933 -5.989 17.063 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.687 -6.006 16.758 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.484 -2.163 13.886 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.646 -3.487 13.042 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.707 -2.262 13.929 1.00 0.00 H new ATOM 428 N GLY A 49 3.217 -7.375 13.964 1.00 0.00 N ATOM 429 CA GLY A 49 3.910 -8.687 13.964 1.00 0.00 C ATOM 430 C GLY A 49 3.684 -9.634 12.756 1.00 0.00 C ATOM 431 O GLY A 49 4.408 -10.631 12.688 1.00 0.00 O ATOM 0 H GLY A 49 3.764 -6.616 13.557 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.981 -8.498 14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.612 -9.221 14.866 1.00 0.00 H new ATOM 435 N ASP A 50 2.788 -9.368 11.779 1.00 0.00 N ATOM 436 CA ASP A 50 2.551 -10.294 10.646 1.00 0.00 C ATOM 437 C ASP A 50 3.701 -10.301 9.587 1.00 0.00 C ATOM 438 O ASP A 50 4.095 -9.236 9.106 1.00 0.00 O ATOM 439 CB ASP A 50 1.227 -9.843 9.965 1.00 0.00 C ATOM 440 CG ASP A 50 -0.102 -9.965 10.700 1.00 0.00 C ATOM 441 OD1 ASP A 50 -1.127 -9.427 10.296 1.00 0.00 O ATOM 442 OD2 ASP A 50 -0.028 -10.721 11.827 1.00 0.00 O ATOM 0 H ASP A 50 2.218 -8.522 11.751 1.00 0.00 H new ATOM 0 HA ASP A 50 2.501 -11.310 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.347 -8.795 9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.134 -10.407 9.037 1.00 0.00 H new ATOM 448 N ARG A 51 4.237 -11.481 9.213 1.00 0.00 N ATOM 449 CA ARG A 51 5.248 -11.591 8.112 1.00 0.00 C ATOM 450 C ARG A 51 4.453 -11.507 6.764 1.00 0.00 C ATOM 451 O ARG A 51 3.640 -12.381 6.471 1.00 0.00 O ATOM 452 CB ARG A 51 6.143 -12.850 8.316 1.00 0.00 C ATOM 453 CG ARG A 51 5.579 -14.204 7.824 1.00 0.00 C ATOM 454 CD ARG A 51 6.409 -15.424 8.260 1.00 0.00 C ATOM 455 NE ARG A 51 5.961 -16.647 7.540 1.00 0.00 N ATOM 456 CZ ARG A 51 4.906 -17.396 7.839 1.00 0.00 C ATOM 457 NH1 ARG A 51 4.097 -17.163 8.829 1.00 0.00 N ATOM 458 NH2 ARG A 51 4.673 -18.414 7.090 1.00 0.00 N ATOM 0 H ARG A 51 3.996 -12.372 9.647 1.00 0.00 H new ATOM 0 HA ARG A 51 5.973 -10.778 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.093 -12.675 7.810 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.361 -12.941 9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.561 -14.318 8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.521 -14.188 6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.465 -15.243 8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.311 -15.572 9.335 1.00 0.00 H new ATOM 0 HE ARG A 51 6.519 -16.939 6.738 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.254 -16.359 9.437 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.305 -17.784 8.998 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.288 -18.619 6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.873 -19.017 7.283 1.00 0.00 H new ATOM 471 N VAL A 52 4.636 -10.435 5.995 1.00 0.00 N ATOM 472 CA VAL A 52 3.791 -10.125 4.799 1.00 0.00 C ATOM 473 C VAL A 52 4.552 -10.284 3.438 1.00 0.00 C ATOM 474 O VAL A 52 5.699 -9.844 3.313 1.00 0.00 O ATOM 475 CB VAL A 52 3.147 -8.697 5.018 1.00 0.00 C ATOM 476 CG1 VAL A 52 2.448 -8.462 6.384 1.00 0.00 C ATOM 477 CG2 VAL A 52 4.091 -7.503 4.816 1.00 0.00 C ATOM 0 H VAL A 52 5.368 -9.746 6.167 1.00 0.00 H new ATOM 0 HA VAL A 52 2.993 -10.863 4.713 1.00 0.00 H new ATOM 0 HB VAL A 52 2.402 -8.731 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.046 -7.449 6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.636 -9.179 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.171 -8.592 7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.547 -6.575 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.922 -7.574 5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.475 -7.511 3.796 1.00 0.00 H new ATOM 487 N PHE A 53 3.908 -10.853 2.397 1.00 0.00 N ATOM 488 CA PHE A 53 4.514 -11.050 1.064 1.00 0.00 C ATOM 489 C PHE A 53 3.669 -10.153 0.102 1.00 0.00 C ATOM 490 O PHE A 53 2.513 -10.450 -0.228 1.00 0.00 O ATOM 491 CB PHE A 53 4.491 -12.575 0.748 1.00 0.00 C ATOM 492 CG PHE A 53 5.099 -13.528 1.810 1.00 0.00 C ATOM 493 CD1 PHE A 53 6.484 -13.607 1.976 1.00 0.00 C ATOM 494 CD2 PHE A 53 4.263 -14.212 2.705 1.00 0.00 C ATOM 495 CE1 PHE A 53 7.029 -14.363 3.012 1.00 0.00 C ATOM 496 CE2 PHE A 53 4.809 -14.962 3.744 1.00 0.00 C ATOM 497 CZ PHE A 53 6.190 -15.039 3.895 1.00 0.00 C ATOM 0 H PHE A 53 2.947 -11.190 2.459 1.00 0.00 H new ATOM 0 HA PHE A 53 5.559 -10.755 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.455 -12.870 0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.021 -12.733 -0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.137 -13.079 1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.191 -14.157 2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.101 -14.425 3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.161 -15.484 4.432 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.612 -15.624 4.699 1.00 0.00 H new ATOM 507 N VAL A 54 4.253 -9.012 -0.281 1.00 0.00 N ATOM 508 CA VAL A 54 3.576 -7.975 -1.103 1.00 0.00 C ATOM 509 C VAL A 54 4.212 -7.826 -2.523 1.00 0.00 C ATOM 510 O VAL A 54 5.329 -8.255 -2.808 1.00 0.00 O ATOM 511 CB VAL A 54 3.569 -6.596 -0.298 1.00 0.00 C ATOM 512 CG1 VAL A 54 4.665 -5.560 -0.633 1.00 0.00 C ATOM 513 CG2 VAL A 54 2.165 -6.107 0.001 1.00 0.00 C ATOM 0 H VAL A 54 5.213 -8.771 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 54 2.547 -8.288 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 54 3.968 -6.839 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.533 -4.676 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.647 -5.995 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.589 -5.277 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.216 -5.166 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.627 -5.953 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.641 -6.850 0.603 1.00 0.00 H new ATOM 523 N HIS A 55 3.477 -7.130 -3.386 1.00 0.00 N ATOM 524 CA HIS A 55 4.019 -6.699 -4.735 1.00 0.00 C ATOM 525 C HIS A 55 3.838 -5.162 -4.878 1.00 0.00 C ATOM 526 O HIS A 55 2.691 -4.716 -4.935 1.00 0.00 O ATOM 527 CB HIS A 55 3.502 -7.468 -6.007 1.00 0.00 C ATOM 528 CG HIS A 55 4.500 -8.356 -6.757 1.00 0.00 C ATOM 529 ND1 HIS A 55 5.868 -8.121 -6.844 1.00 0.00 N ATOM 530 CD2 HIS A 55 4.113 -9.285 -7.737 1.00 0.00 C ATOM 531 CE1 HIS A 55 6.195 -9.001 -7.844 1.00 0.00 C ATOM 532 NE2 HIS A 55 5.215 -9.748 -8.434 1.00 0.00 N ATOM 0 H HIS A 55 2.515 -6.841 -3.208 1.00 0.00 H new ATOM 0 HA HIS A 55 5.071 -6.982 -4.721 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.661 -8.091 -5.703 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.115 -6.731 -6.710 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.095 -9.595 -7.921 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.222 -9.103 -8.163 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.278 -10.446 -9.175 1.00 0.00 H new ATOM 540 N TYR A 56 4.928 -4.355 -4.930 1.00 0.00 N ATOM 541 CA TYR A 56 4.812 -2.865 -5.031 1.00 0.00 C ATOM 542 C TYR A 56 5.425 -2.212 -6.335 1.00 0.00 C ATOM 543 O TYR A 56 6.412 -2.679 -6.910 1.00 0.00 O ATOM 544 CB TYR A 56 5.326 -2.047 -3.794 1.00 0.00 C ATOM 545 CG TYR A 56 6.835 -1.798 -3.686 1.00 0.00 C ATOM 546 CD1 TYR A 56 7.677 -2.859 -3.399 1.00 0.00 C ATOM 547 CD2 TYR A 56 7.384 -0.555 -4.012 1.00 0.00 C ATOM 548 CE1 TYR A 56 9.056 -2.679 -3.396 1.00 0.00 C ATOM 549 CE2 TYR A 56 8.760 -0.354 -3.937 1.00 0.00 C ATOM 550 CZ TYR A 56 9.599 -1.422 -3.628 1.00 0.00 C ATOM 551 OH TYR A 56 10.955 -1.253 -3.556 1.00 0.00 O ATOM 0 H TYR A 56 5.888 -4.698 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 56 3.726 -2.782 -5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.825 -1.079 -3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.006 -2.566 -2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.261 -3.831 -3.177 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.739 0.253 -4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.708 -3.521 -3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.175 0.627 -4.118 1.00 0.00 H new ATOM 0 HH TYR A 56 11.359 -1.478 -4.420 1.00 0.00 H new ATOM 561 N THR A 57 4.852 -1.071 -6.723 1.00 0.00 N ATOM 562 CA THR A 57 5.482 -0.091 -7.681 1.00 0.00 C ATOM 563 C THR A 57 5.429 1.288 -6.945 1.00 0.00 C ATOM 564 O THR A 57 4.471 1.564 -6.221 1.00 0.00 O ATOM 565 CB THR A 57 4.915 -0.030 -9.132 1.00 0.00 C ATOM 566 OG1 THR A 57 5.078 -1.300 -9.749 1.00 0.00 O ATOM 567 CG2 THR A 57 5.644 0.992 -10.035 1.00 0.00 C ATOM 0 H THR A 57 3.933 -0.777 -6.393 1.00 0.00 H new ATOM 0 HA THR A 57 6.495 -0.428 -7.899 1.00 0.00 H new ATOM 0 HB THR A 57 3.871 0.269 -9.036 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.940 -1.329 -10.215 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.198 0.982 -11.030 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.550 1.989 -9.605 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.699 0.726 -10.107 1.00 0.00 H new ATOM 575 N GLY A 58 6.440 2.158 -7.079 1.00 0.00 N ATOM 576 CA GLY A 58 6.438 3.475 -6.398 1.00 0.00 C ATOM 577 C GLY A 58 7.084 4.664 -7.165 1.00 0.00 C ATOM 578 O GLY A 58 8.082 4.550 -7.879 1.00 0.00 O ATOM 0 H GLY A 58 7.268 1.982 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.405 3.738 -6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.955 3.365 -5.445 1.00 0.00 H new ATOM 582 N TRP A 59 6.441 5.817 -6.978 1.00 0.00 N ATOM 583 CA TRP A 59 6.734 7.117 -7.602 1.00 0.00 C ATOM 584 C TRP A 59 6.886 8.261 -6.554 1.00 0.00 C ATOM 585 O TRP A 59 6.295 8.258 -5.468 1.00 0.00 O ATOM 586 CB TRP A 59 5.622 7.579 -8.611 1.00 0.00 C ATOM 587 CG TRP A 59 5.013 6.554 -9.594 1.00 0.00 C ATOM 588 CD1 TRP A 59 5.381 6.558 -10.935 1.00 0.00 C ATOM 589 CD2 TRP A 59 4.203 5.430 -9.448 1.00 0.00 C ATOM 590 NE1 TRP A 59 4.913 5.439 -11.643 1.00 0.00 N ATOM 591 CE2 TRP A 59 4.188 4.751 -10.700 1.00 0.00 C ATOM 592 CE3 TRP A 59 3.552 4.847 -8.327 1.00 0.00 C ATOM 593 CZ2 TRP A 59 3.591 3.478 -10.809 1.00 0.00 C ATOM 594 CZ3 TRP A 59 2.946 3.611 -8.480 1.00 0.00 C ATOM 595 CH2 TRP A 59 2.950 2.941 -9.700 1.00 0.00 C ATOM 0 H TRP A 59 5.645 5.876 -6.343 1.00 0.00 H new ATOM 0 HA TRP A 59 7.673 6.949 -8.129 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.803 7.997 -8.026 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.037 8.394 -9.204 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.968 7.344 -11.387 1.00 0.00 H new ATOM 0 HE1 TRP A 59 5.073 5.196 -12.621 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.530 5.357 -7.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.632 2.930 -11.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.458 3.155 -7.631 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.447 1.989 -9.786 1.00 0.00 H new ATOM 606 N LEU A 60 7.685 9.270 -6.902 1.00 0.00 N ATOM 607 CA LEU A 60 7.777 10.523 -6.105 1.00 0.00 C ATOM 608 C LEU A 60 6.614 11.482 -6.546 1.00 0.00 C ATOM 609 O LEU A 60 5.884 11.266 -7.523 1.00 0.00 O ATOM 610 CB LEU A 60 9.174 11.162 -6.380 1.00 0.00 C ATOM 611 CG LEU A 60 9.841 12.160 -5.396 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.597 11.891 -3.912 1.00 0.00 C ATOM 613 CD2 LEU A 60 11.361 12.148 -5.639 1.00 0.00 C ATOM 0 H LEU A 60 8.283 9.257 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 60 7.677 10.332 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.874 10.337 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.100 11.672 -7.340 1.00 0.00 H new ATOM 0 HG LEU A 60 9.377 13.124 -5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.108 12.647 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.527 11.929 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.981 10.904 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.844 12.845 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.749 11.144 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.568 12.447 -6.667 1.00 0.00 H new ATOM 625 N LEU A 61 6.513 12.613 -5.856 1.00 0.00 N ATOM 626 CA LEU A 61 5.501 13.667 -6.161 1.00 0.00 C ATOM 627 C LEU A 61 5.575 14.304 -7.585 1.00 0.00 C ATOM 628 O LEU A 61 4.536 14.665 -8.143 1.00 0.00 O ATOM 629 CB LEU A 61 5.504 14.718 -5.008 1.00 0.00 C ATOM 630 CG LEU A 61 4.575 15.958 -5.123 1.00 0.00 C ATOM 631 CD1 LEU A 61 3.085 15.587 -5.176 1.00 0.00 C ATOM 632 CD2 LEU A 61 4.816 16.942 -3.967 1.00 0.00 C ATOM 0 H LEU A 61 7.119 12.842 -5.069 1.00 0.00 H new ATOM 0 HA LEU A 61 4.533 13.167 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.246 14.197 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.526 15.080 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 61 4.832 16.435 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.487 16.495 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.899 14.952 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.811 15.051 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.152 17.799 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.616 16.445 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.852 17.281 -3.988 1.00 0.00 H new ATOM 644 N ASP A 62 6.769 14.415 -8.187 1.00 0.00 N ATOM 645 CA ASP A 62 6.882 14.859 -9.611 1.00 0.00 C ATOM 646 C ASP A 62 6.407 13.771 -10.677 1.00 0.00 C ATOM 647 O ASP A 62 6.587 13.984 -11.877 1.00 0.00 O ATOM 648 CB ASP A 62 8.364 15.299 -9.775 1.00 0.00 C ATOM 649 CG ASP A 62 8.656 16.099 -11.039 1.00 0.00 C ATOM 650 OD1 ASP A 62 8.341 17.274 -11.190 1.00 0.00 O ATOM 651 OD2 ASP A 62 9.308 15.366 -11.979 1.00 0.00 O ATOM 0 H ASP A 62 7.660 14.212 -7.734 1.00 0.00 H new ATOM 0 HA ASP A 62 6.197 15.680 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.649 15.897 -8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.995 14.410 -9.770 1.00 0.00 H new ATOM 657 N GLY A 63 5.796 12.623 -10.281 1.00 0.00 N ATOM 658 CA GLY A 63 5.415 11.523 -11.240 1.00 0.00 C ATOM 659 C GLY A 63 6.608 10.764 -11.863 1.00 0.00 C ATOM 660 O GLY A 63 6.577 10.331 -13.014 1.00 0.00 O ATOM 0 H GLY A 63 5.553 12.425 -9.310 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.781 10.808 -10.717 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.816 11.952 -12.043 1.00 0.00 H new ATOM 664 N THR A 64 7.645 10.590 -11.044 1.00 0.00 N ATOM 665 CA THR A 64 8.923 9.957 -11.441 1.00 0.00 C ATOM 666 C THR A 64 9.019 8.591 -10.705 1.00 0.00 C ATOM 667 O THR A 64 9.022 8.544 -9.470 1.00 0.00 O ATOM 668 CB THR A 64 10.058 10.957 -11.069 1.00 0.00 C ATOM 669 OG1 THR A 64 9.839 12.242 -11.650 1.00 0.00 O ATOM 670 CG2 THR A 64 11.422 10.519 -11.594 1.00 0.00 C ATOM 0 H THR A 64 7.630 10.886 -10.068 1.00 0.00 H new ATOM 0 HA THR A 64 9.002 9.749 -12.508 1.00 0.00 H new ATOM 0 HB THR A 64 10.045 10.988 -9.980 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.568 12.845 -11.395 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.175 11.252 -11.306 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.680 9.548 -11.171 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.386 10.443 -12.681 1.00 0.00 H new ATOM 678 N LYS A 65 9.102 7.485 -11.455 1.00 0.00 N ATOM 679 CA LYS A 65 9.122 6.123 -10.861 1.00 0.00 C ATOM 680 C LYS A 65 10.529 5.750 -10.225 1.00 0.00 C ATOM 681 O LYS A 65 11.499 5.633 -10.980 1.00 0.00 O ATOM 682 CB LYS A 65 8.735 5.113 -11.974 1.00 0.00 C ATOM 683 CG LYS A 65 8.408 3.691 -11.448 1.00 0.00 C ATOM 684 CD LYS A 65 8.213 2.653 -12.571 1.00 0.00 C ATOM 685 CE LYS A 65 6.885 2.794 -13.332 1.00 0.00 C ATOM 686 NZ LYS A 65 6.749 1.689 -14.299 1.00 0.00 N ATOM 0 H LYS A 65 9.157 7.496 -12.473 1.00 0.00 H new ATOM 0 HA LYS A 65 8.407 6.087 -10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.870 5.497 -12.515 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.554 5.045 -12.690 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.214 3.360 -10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.503 3.735 -10.843 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.037 2.741 -13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.268 1.653 -12.141 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.050 2.782 -12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.852 3.752 -13.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.850 1.786 -14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.539 1.720 -14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.762 0.781 -13.792 1.00 0.00 H new ATOM 699 N PHE A 66 10.710 5.590 -8.892 1.00 0.00 N ATOM 700 CA PHE A 66 11.987 5.123 -8.293 1.00 0.00 C ATOM 701 C PHE A 66 12.130 3.566 -8.253 1.00 0.00 C ATOM 702 O PHE A 66 13.256 3.076 -8.374 1.00 0.00 O ATOM 703 CB PHE A 66 12.172 5.762 -6.888 1.00 0.00 C ATOM 704 CG PHE A 66 11.058 5.629 -5.832 1.00 0.00 C ATOM 705 CD1 PHE A 66 10.872 4.442 -5.115 1.00 0.00 C ATOM 706 CD2 PHE A 66 10.209 6.711 -5.599 1.00 0.00 C ATOM 707 CE1 PHE A 66 9.831 4.331 -4.193 1.00 0.00 C ATOM 708 CE2 PHE A 66 9.190 6.606 -4.661 1.00 0.00 C ATOM 709 CZ PHE A 66 8.991 5.422 -3.965 1.00 0.00 C ATOM 0 H PHE A 66 9.981 5.779 -8.204 1.00 0.00 H new ATOM 0 HA PHE A 66 12.793 5.458 -8.946 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.080 5.341 -6.457 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.353 6.826 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 66 11.538 3.607 -5.276 1.00 0.00 H new ATOM 0 HD2 PHE A 66 10.344 7.631 -6.148 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.676 3.406 -3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.547 7.453 -4.472 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.187 5.345 -3.248 1.00 0.00 H new ATOM 719 N ASP A 67 11.044 2.787 -8.037 1.00 0.00 N ATOM 720 CA ASP A 67 11.145 1.298 -8.012 1.00 0.00 C ATOM 721 C ASP A 67 9.846 0.589 -8.499 1.00 0.00 C ATOM 722 O ASP A 67 8.737 1.128 -8.501 1.00 0.00 O ATOM 723 CB ASP A 67 11.606 0.781 -6.615 1.00 0.00 C ATOM 724 CG ASP A 67 12.303 -0.580 -6.595 1.00 0.00 C ATOM 725 OD1 ASP A 67 13.514 -0.725 -6.694 1.00 0.00 O ATOM 726 OD2 ASP A 67 11.430 -1.614 -6.460 1.00 0.00 O ATOM 0 H ASP A 67 10.104 3.150 -7.880 1.00 0.00 H new ATOM 0 HA ASP A 67 11.917 1.029 -8.734 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.282 1.519 -6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.733 0.729 -5.964 1.00 0.00 H new ATOM 732 N SER A 68 10.038 -0.659 -8.923 1.00 0.00 N ATOM 733 CA SER A 68 8.947 -1.549 -9.382 1.00 0.00 C ATOM 734 C SER A 68 9.376 -3.030 -9.235 1.00 0.00 C ATOM 735 O SER A 68 10.113 -3.563 -10.069 1.00 0.00 O ATOM 736 CB SER A 68 8.521 -1.204 -10.822 1.00 0.00 C ATOM 737 OG SER A 68 7.341 -1.922 -11.197 1.00 0.00 O ATOM 0 H SER A 68 10.960 -1.095 -8.962 1.00 0.00 H new ATOM 0 HA SER A 68 8.071 -1.393 -8.753 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.340 -0.132 -10.904 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.331 -1.444 -11.511 1.00 0.00 H new ATOM 0 HG SER A 68 7.404 -2.186 -12.139 1.00 0.00 H new ATOM 743 N SER A 69 8.907 -3.698 -8.170 1.00 0.00 N ATOM 744 CA SER A 69 9.187 -5.147 -7.941 1.00 0.00 C ATOM 745 C SER A 69 8.672 -6.089 -9.093 1.00 0.00 C ATOM 746 O SER A 69 9.380 -7.000 -9.522 1.00 0.00 O ATOM 747 CB SER A 69 8.631 -5.496 -6.545 1.00 0.00 C ATOM 748 OG SER A 69 9.259 -6.668 -6.029 1.00 0.00 O ATOM 0 H SER A 69 8.331 -3.268 -7.446 1.00 0.00 H new ATOM 0 HA SER A 69 10.262 -5.326 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.794 -4.661 -5.864 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.554 -5.652 -6.606 1.00 0.00 H new ATOM 0 HG SER A 69 9.061 -7.429 -6.614 1.00 0.00 H new ATOM 754 N LEU A 70 7.471 -5.817 -9.640 1.00 0.00 N ATOM 755 CA LEU A 70 6.873 -6.533 -10.800 1.00 0.00 C ATOM 756 C LEU A 70 7.777 -6.547 -12.095 1.00 0.00 C ATOM 757 O LEU A 70 7.961 -7.591 -12.723 1.00 0.00 O ATOM 758 CB LEU A 70 5.451 -5.929 -11.029 1.00 0.00 C ATOM 759 CG LEU A 70 4.483 -5.929 -9.802 1.00 0.00 C ATOM 760 CD1 LEU A 70 4.345 -4.535 -9.162 1.00 0.00 C ATOM 761 CD2 LEU A 70 3.091 -6.437 -10.157 1.00 0.00 C ATOM 0 H LEU A 70 6.869 -5.075 -9.283 1.00 0.00 H new ATOM 0 HA LEU A 70 6.794 -7.595 -10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.569 -4.900 -11.369 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.974 -6.480 -11.839 1.00 0.00 H new ATOM 0 HG LEU A 70 4.940 -6.610 -9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.662 -4.590 -8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.322 -4.194 -8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.954 -3.834 -9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.459 -6.416 -9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.656 -5.799 -10.927 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.161 -7.459 -10.529 1.00 0.00 H new ATOM 773 N ASP A 71 8.344 -5.387 -12.464 1.00 0.00 N ATOM 774 CA ASP A 71 9.338 -5.236 -13.574 1.00 0.00 C ATOM 775 C ASP A 71 10.765 -5.822 -13.235 1.00 0.00 C ATOM 776 O ASP A 71 11.418 -6.408 -14.099 1.00 0.00 O ATOM 777 CB ASP A 71 9.438 -3.722 -13.908 1.00 0.00 C ATOM 778 CG ASP A 71 8.283 -3.160 -14.731 1.00 0.00 C ATOM 779 OD1 ASP A 71 8.335 -2.975 -15.941 1.00 0.00 O ATOM 780 OD2 ASP A 71 7.187 -2.881 -13.979 1.00 0.00 O ATOM 0 H ASP A 71 8.130 -4.504 -12.000 1.00 0.00 H new ATOM 0 HA ASP A 71 8.987 -5.815 -14.428 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.503 -3.164 -12.974 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.368 -3.546 -14.449 1.00 0.00 H new ATOM 786 N ARG A 72 11.250 -5.637 -11.994 1.00 0.00 N ATOM 787 CA ARG A 72 12.536 -6.179 -11.475 1.00 0.00 C ATOM 788 C ARG A 72 12.658 -7.754 -11.379 1.00 0.00 C ATOM 789 O ARG A 72 13.763 -8.260 -11.175 1.00 0.00 O ATOM 790 CB ARG A 72 12.697 -5.463 -10.100 1.00 0.00 C ATOM 791 CG ARG A 72 13.954 -5.753 -9.242 1.00 0.00 C ATOM 792 CD ARG A 72 14.067 -4.866 -7.981 1.00 0.00 C ATOM 793 NE ARG A 72 12.974 -5.138 -7.005 1.00 0.00 N ATOM 794 CZ ARG A 72 12.833 -4.557 -5.822 1.00 0.00 C ATOM 795 NH1 ARG A 72 13.643 -3.662 -5.343 1.00 0.00 N ATOM 796 NH2 ARG A 72 11.816 -4.887 -5.110 1.00 0.00 N ATOM 0 H ARG A 72 10.747 -5.089 -11.296 1.00 0.00 H new ATOM 0 HA ARG A 72 13.344 -5.976 -12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.665 -4.389 -10.283 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.823 -5.710 -9.497 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.942 -6.800 -8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.843 -5.610 -9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.031 -5.038 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.039 -3.816 -8.273 1.00 0.00 H new ATOM 0 HE ARG A 72 12.274 -5.831 -7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.452 -3.363 -5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.470 -3.258 -4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.150 -5.575 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.675 -4.461 -4.194 1.00 0.00 H new ATOM 809 N LYS A 73 11.543 -8.502 -11.503 1.00 0.00 N ATOM 810 CA LYS A 73 11.455 -9.994 -11.454 1.00 0.00 C ATOM 811 C LYS A 73 11.174 -10.602 -10.040 1.00 0.00 C ATOM 812 O LYS A 73 10.482 -11.619 -9.941 1.00 0.00 O ATOM 813 CB LYS A 73 12.542 -10.795 -12.236 1.00 0.00 C ATOM 814 CG LYS A 73 12.628 -10.490 -13.753 1.00 0.00 C ATOM 815 CD LYS A 73 13.736 -11.269 -14.491 1.00 0.00 C ATOM 816 CE LYS A 73 15.153 -10.744 -14.207 1.00 0.00 C ATOM 817 NZ LYS A 73 16.137 -11.524 -14.984 1.00 0.00 N ATOM 0 H LYS A 73 10.630 -8.071 -11.647 1.00 0.00 H new ATOM 0 HA LYS A 73 10.547 -10.145 -12.037 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.514 -10.591 -11.786 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.348 -11.860 -12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.668 -10.721 -14.214 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.798 -9.422 -13.889 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.683 -12.319 -14.204 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.549 -11.222 -15.564 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.220 -9.689 -14.472 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.373 -10.820 -13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.094 -11.167 -14.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.079 -12.526 -14.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.931 -11.429 -15.999 1.00 0.00 H new ATOM 830 N ASP A 74 11.702 -10.007 -8.959 1.00 0.00 N ATOM 831 CA ASP A 74 11.449 -10.478 -7.571 1.00 0.00 C ATOM 832 C ASP A 74 10.169 -9.818 -6.951 1.00 0.00 C ATOM 833 O ASP A 74 9.565 -8.874 -7.467 1.00 0.00 O ATOM 834 CB ASP A 74 12.725 -10.169 -6.734 1.00 0.00 C ATOM 835 CG ASP A 74 12.957 -10.973 -5.457 1.00 0.00 C ATOM 836 OD1 ASP A 74 12.249 -11.898 -5.073 1.00 0.00 O ATOM 837 OD2 ASP A 74 14.050 -10.538 -4.777 1.00 0.00 O ATOM 0 H ASP A 74 12.313 -9.192 -9.012 1.00 0.00 H new ATOM 0 HA ASP A 74 11.251 -11.550 -7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.591 -10.312 -7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.700 -9.113 -6.464 1.00 0.00 H new ATOM 843 N LYS A 75 9.784 -10.343 -5.792 1.00 0.00 N ATOM 844 CA LYS A 75 8.651 -9.828 -4.987 1.00 0.00 C ATOM 845 C LYS A 75 9.150 -8.938 -3.788 1.00 0.00 C ATOM 846 O LYS A 75 10.353 -8.917 -3.493 1.00 0.00 O ATOM 847 CB LYS A 75 7.822 -11.041 -4.462 1.00 0.00 C ATOM 848 CG LYS A 75 6.290 -10.866 -4.549 1.00 0.00 C ATOM 849 CD LYS A 75 5.514 -11.608 -3.438 1.00 0.00 C ATOM 850 CE LYS A 75 5.385 -13.133 -3.596 1.00 0.00 C ATOM 851 NZ LYS A 75 4.454 -13.480 -4.689 1.00 0.00 N ATOM 0 H LYS A 75 10.247 -11.148 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 75 8.027 -9.193 -5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.105 -11.928 -5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.094 -11.226 -3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.052 -9.804 -4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.947 -11.224 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.002 -11.403 -2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.511 -11.184 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.365 -13.564 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.032 -13.569 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.228 -14.494 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.580 -12.926 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.898 -13.265 -5.605 1.00 0.00 H new ATOM 864 N PHE A 76 8.258 -8.198 -3.086 1.00 0.00 N ATOM 865 CA PHE A 76 8.648 -7.465 -1.856 1.00 0.00 C ATOM 866 C PHE A 76 8.096 -8.232 -0.597 1.00 0.00 C ATOM 867 O PHE A 76 7.048 -8.883 -0.637 1.00 0.00 O ATOM 868 CB PHE A 76 8.365 -5.926 -1.976 1.00 0.00 C ATOM 869 CG PHE A 76 9.370 -5.186 -1.056 1.00 0.00 C ATOM 870 CD1 PHE A 76 10.715 -5.064 -1.433 1.00 0.00 C ATOM 871 CD2 PHE A 76 8.999 -4.841 0.248 1.00 0.00 C ATOM 872 CE1 PHE A 76 11.659 -4.564 -0.540 1.00 0.00 C ATOM 873 CE2 PHE A 76 9.951 -4.367 1.150 1.00 0.00 C ATOM 874 CZ PHE A 76 11.275 -4.218 0.751 1.00 0.00 C ATOM 0 H PHE A 76 7.277 -8.093 -3.345 1.00 0.00 H new ATOM 0 HA PHE A 76 9.728 -7.464 -1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.478 -5.596 -3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.340 -5.702 -1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.022 -5.361 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.969 -4.942 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.687 -4.445 -0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.660 -4.115 2.159 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.007 -3.833 1.446 1.00 0.00 H new ATOM 884 N SER A 77 8.835 -8.224 0.525 1.00 0.00 N ATOM 885 CA SER A 77 8.453 -8.982 1.743 1.00 0.00 C ATOM 886 C SER A 77 9.095 -8.334 2.997 1.00 0.00 C ATOM 887 O SER A 77 10.304 -8.086 3.054 1.00 0.00 O ATOM 888 CB SER A 77 8.841 -10.479 1.625 1.00 0.00 C ATOM 889 OG SER A 77 10.256 -10.671 1.543 1.00 0.00 O ATOM 0 H SER A 77 9.705 -7.701 0.620 1.00 0.00 H new ATOM 0 HA SER A 77 7.369 -8.939 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.453 -11.021 2.487 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.367 -10.906 0.741 1.00 0.00 H new ATOM 0 HG SER A 77 10.453 -11.628 1.472 1.00 0.00 H new ATOM 895 N PHE A 78 8.263 -8.058 3.998 1.00 0.00 N ATOM 896 CA PHE A 78 8.687 -7.400 5.263 1.00 0.00 C ATOM 897 C PHE A 78 7.893 -8.009 6.488 1.00 0.00 C ATOM 898 O PHE A 78 7.133 -8.973 6.330 1.00 0.00 O ATOM 899 CB PHE A 78 8.535 -5.876 4.995 1.00 0.00 C ATOM 900 CG PHE A 78 7.139 -5.264 5.168 1.00 0.00 C ATOM 901 CD1 PHE A 78 6.804 -4.798 6.439 1.00 0.00 C ATOM 902 CD2 PHE A 78 6.286 -5.008 4.089 1.00 0.00 C ATOM 903 CE1 PHE A 78 5.629 -4.105 6.646 1.00 0.00 C ATOM 904 CE2 PHE A 78 5.106 -4.287 4.296 1.00 0.00 C ATOM 905 CZ PHE A 78 4.788 -3.839 5.586 1.00 0.00 C ATOM 0 H PHE A 78 7.268 -8.280 3.969 1.00 0.00 H new ATOM 0 HA PHE A 78 9.722 -7.579 5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.219 -5.348 5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.865 -5.679 3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.470 -4.981 7.269 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.538 -5.365 3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.368 -3.771 7.639 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.445 -4.077 3.469 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.878 -3.282 5.751 1.00 0.00 H new ATOM 915 N ASP A 79 8.047 -7.499 7.728 1.00 0.00 N ATOM 916 CA ASP A 79 7.229 -7.953 8.878 1.00 0.00 C ATOM 917 C ASP A 79 6.638 -6.645 9.517 1.00 0.00 C ATOM 918 O ASP A 79 7.384 -5.702 9.809 1.00 0.00 O ATOM 919 CB ASP A 79 8.152 -8.892 9.690 1.00 0.00 C ATOM 920 CG ASP A 79 7.457 -9.843 10.662 1.00 0.00 C ATOM 921 OD1 ASP A 79 7.760 -11.024 10.778 1.00 0.00 O ATOM 922 OD2 ASP A 79 6.455 -9.253 11.364 1.00 0.00 O ATOM 0 H ASP A 79 8.727 -6.775 7.960 1.00 0.00 H new ATOM 0 HA ASP A 79 6.343 -8.563 8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.739 -9.486 8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.855 -8.279 10.254 1.00 0.00 H new ATOM 928 N LEU A 80 5.296 -6.560 9.662 1.00 0.00 N ATOM 929 CA LEU A 80 4.563 -5.335 10.122 1.00 0.00 C ATOM 930 C LEU A 80 5.115 -4.722 11.468 1.00 0.00 C ATOM 931 O LEU A 80 4.886 -5.264 12.555 1.00 0.00 O ATOM 932 CB LEU A 80 3.052 -5.706 10.232 1.00 0.00 C ATOM 933 CG LEU A 80 2.065 -4.796 9.466 1.00 0.00 C ATOM 934 CD1 LEU A 80 0.651 -5.316 9.712 1.00 0.00 C ATOM 935 CD2 LEU A 80 2.069 -3.324 9.853 1.00 0.00 C ATOM 0 H LEU A 80 4.675 -7.344 9.463 1.00 0.00 H new ATOM 0 HA LEU A 80 4.718 -4.543 9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.924 -6.727 9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.774 -5.701 11.286 1.00 0.00 H new ATOM 0 HG LEU A 80 2.390 -4.839 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.065 -4.689 9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.573 -6.342 9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.434 -5.289 10.780 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.337 -2.787 9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.812 -3.224 10.908 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.060 -2.905 9.680 1.00 0.00 H new ATOM 947 N GLY A 81 5.851 -3.596 11.393 1.00 0.00 N ATOM 948 CA GLY A 81 6.540 -3.001 12.600 1.00 0.00 C ATOM 949 C GLY A 81 7.655 -3.874 13.256 1.00 0.00 C ATOM 950 O GLY A 81 7.807 -3.863 14.477 1.00 0.00 O ATOM 0 H GLY A 81 5.995 -3.071 10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.979 -2.047 12.308 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.784 -2.787 13.355 1.00 0.00 H new ATOM 954 N LYS A 82 8.444 -4.583 12.433 1.00 0.00 N ATOM 955 CA LYS A 82 9.487 -5.560 12.884 1.00 0.00 C ATOM 956 C LYS A 82 10.831 -5.322 12.122 1.00 0.00 C ATOM 957 O LYS A 82 11.799 -4.843 12.716 1.00 0.00 O ATOM 958 CB LYS A 82 8.886 -6.997 12.754 1.00 0.00 C ATOM 959 CG LYS A 82 7.736 -7.316 13.744 1.00 0.00 C ATOM 960 CD LYS A 82 7.887 -8.639 14.526 1.00 0.00 C ATOM 961 CE LYS A 82 8.984 -8.596 15.601 1.00 0.00 C ATOM 962 NZ LYS A 82 9.019 -9.888 16.315 1.00 0.00 N ATOM 0 H LYS A 82 8.386 -4.503 11.418 1.00 0.00 H new ATOM 0 HA LYS A 82 9.752 -5.422 13.932 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.518 -7.130 11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.685 -7.724 12.901 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.657 -6.497 14.459 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.798 -7.346 13.189 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.936 -8.882 14.999 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.109 -9.443 13.824 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.952 -8.395 15.141 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.790 -7.785 16.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.761 -9.862 17.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.098 -10.061 16.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.223 -10.652 15.640 1.00 0.00 H new ATOM 975 N GLY A 83 10.897 -5.638 10.814 1.00 0.00 N ATOM 976 CA GLY A 83 12.056 -5.260 9.949 1.00 0.00 C ATOM 977 C GLY A 83 11.418 -4.161 9.076 1.00 0.00 C ATOM 978 O GLY A 83 11.043 -4.390 7.924 1.00 0.00 O ATOM 0 H GLY A 83 10.166 -6.154 10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.901 -4.889 10.529 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.420 -6.099 9.356 1.00 0.00 H new ATOM 982 N GLU A 84 11.218 -2.988 9.704 1.00 0.00 N ATOM 983 CA GLU A 84 10.373 -1.938 9.188 1.00 0.00 C ATOM 984 C GLU A 84 10.906 -1.155 7.956 1.00 0.00 C ATOM 985 O GLU A 84 12.060 -0.938 7.591 1.00 0.00 O ATOM 986 CB GLU A 84 9.867 -1.153 10.437 1.00 0.00 C ATOM 987 CG GLU A 84 9.053 0.164 10.299 1.00 0.00 C ATOM 988 CD GLU A 84 7.636 0.062 9.734 1.00 0.00 C ATOM 989 OE1 GLU A 84 7.004 -0.984 9.610 1.00 0.00 O ATOM 990 OE2 GLU A 84 7.159 1.276 9.361 1.00 0.00 O ATOM 0 H GLU A 84 11.653 -2.756 10.597 1.00 0.00 H new ATOM 0 HA GLU A 84 9.506 -2.339 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.255 -1.843 11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.744 -0.920 11.041 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.990 0.625 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.620 0.845 9.664 1.00 0.00 H new ATOM 998 N VAL A 85 9.803 -0.813 7.369 1.00 0.00 N ATOM 999 CA VAL A 85 9.586 -0.158 6.097 1.00 0.00 C ATOM 1000 C VAL A 85 9.354 1.347 6.393 1.00 0.00 C ATOM 1001 O VAL A 85 10.145 2.034 7.047 1.00 0.00 O ATOM 1002 CB VAL A 85 8.438 -1.059 5.461 1.00 0.00 C ATOM 1003 CG1 VAL A 85 8.916 -2.517 5.158 1.00 0.00 C ATOM 1004 CG2 VAL A 85 7.078 -1.129 6.212 1.00 0.00 C ATOM 0 H VAL A 85 8.911 -1.008 7.823 1.00 0.00 H new ATOM 0 HA VAL A 85 10.383 -0.104 5.356 1.00 0.00 H new ATOM 0 HB VAL A 85 8.235 -0.510 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.094 -3.087 4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.747 -2.488 4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.241 -2.993 6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.393 -1.777 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.236 -1.530 7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.651 -0.129 6.285 1.00 0.00 H new ATOM 1014 N ILE A 86 8.257 1.845 5.864 1.00 0.00 N ATOM 1015 CA ILE A 86 7.727 3.182 6.152 1.00 0.00 C ATOM 1016 C ILE A 86 6.408 3.044 6.962 1.00 0.00 C ATOM 1017 O ILE A 86 5.683 2.039 6.954 1.00 0.00 O ATOM 1018 CB ILE A 86 7.567 4.085 4.888 1.00 0.00 C ATOM 1019 CG1 ILE A 86 6.582 3.537 3.823 1.00 0.00 C ATOM 1020 CG2 ILE A 86 8.956 4.495 4.372 1.00 0.00 C ATOM 1021 CD1 ILE A 86 6.472 4.346 2.530 1.00 0.00 C ATOM 0 H ILE A 86 7.684 1.324 5.200 1.00 0.00 H new ATOM 0 HA ILE A 86 8.464 3.709 6.757 1.00 0.00 H new ATOM 0 HB ILE A 86 7.056 5.002 5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.883 2.521 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.591 3.472 4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.845 5.125 3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.484 5.048 5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.525 3.603 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.755 3.868 1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.135 5.357 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.447 4.390 2.045 1.00 0.00 H new ATOM 1033 N LYS A 87 6.082 4.134 7.640 1.00 0.00 N ATOM 1034 CA LYS A 87 4.818 4.240 8.419 1.00 0.00 C ATOM 1035 C LYS A 87 3.543 4.263 7.523 1.00 0.00 C ATOM 1036 O LYS A 87 2.505 3.742 7.927 1.00 0.00 O ATOM 1037 CB LYS A 87 4.797 5.399 9.456 1.00 0.00 C ATOM 1038 CG LYS A 87 6.000 5.640 10.401 1.00 0.00 C ATOM 1039 CD LYS A 87 7.212 6.339 9.735 1.00 0.00 C ATOM 1040 CE LYS A 87 8.159 7.058 10.710 1.00 0.00 C ATOM 1041 NZ LYS A 87 7.610 8.372 11.105 1.00 0.00 N ATOM 0 H LYS A 87 6.665 4.970 7.678 1.00 0.00 H new ATOM 0 HA LYS A 87 4.794 3.317 8.998 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.636 6.323 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.920 5.249 10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.667 6.244 11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.326 4.681 10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.782 5.595 9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.842 7.064 9.010 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.312 6.442 11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.135 7.192 10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.340 8.916 11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.313 8.894 10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.790 8.232 11.729 1.00 0.00 H new ATOM 1054 N ALA A 88 3.625 4.835 6.305 1.00 0.00 N ATOM 1055 CA ALA A 88 2.576 4.720 5.281 1.00 0.00 C ATOM 1056 C ALA A 88 2.316 3.240 4.890 1.00 0.00 C ATOM 1057 O ALA A 88 1.146 2.925 4.645 1.00 0.00 O ATOM 1058 CB ALA A 88 3.015 5.548 4.058 1.00 0.00 C ATOM 0 H ALA A 88 4.426 5.392 6.006 1.00 0.00 H new ATOM 0 HA ALA A 88 1.635 5.102 5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.254 5.481 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.143 6.590 4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.959 5.160 3.676 1.00 0.00 H new ATOM 1064 N TRP A 89 3.335 2.327 4.842 1.00 0.00 N ATOM 1065 CA TRP A 89 3.004 0.910 4.617 1.00 0.00 C ATOM 1066 C TRP A 89 2.462 0.224 5.889 1.00 0.00 C ATOM 1067 O TRP A 89 1.541 -0.571 5.766 1.00 0.00 O ATOM 1068 CB TRP A 89 4.164 0.102 4.077 1.00 0.00 C ATOM 1069 CG TRP A 89 4.738 0.432 2.715 1.00 0.00 C ATOM 1070 CD1 TRP A 89 4.348 1.444 1.844 1.00 0.00 C ATOM 1071 CD2 TRP A 89 5.584 -0.355 2.012 1.00 0.00 C ATOM 1072 NE1 TRP A 89 4.866 1.256 0.555 1.00 0.00 N ATOM 1073 CE2 TRP A 89 5.627 0.112 0.681 1.00 0.00 C ATOM 1074 CE3 TRP A 89 6.350 -1.451 2.431 1.00 0.00 C ATOM 1075 CZ2 TRP A 89 6.385 -0.581 -0.284 1.00 0.00 C ATOM 1076 CZ3 TRP A 89 7.151 -2.083 1.486 1.00 0.00 C ATOM 1077 CH2 TRP A 89 7.158 -1.672 0.139 1.00 0.00 C ATOM 0 H TRP A 89 4.327 2.540 4.950 1.00 0.00 H new ATOM 0 HA TRP A 89 2.221 0.930 3.859 1.00 0.00 H new ATOM 0 HB2 TRP A 89 4.977 0.176 4.800 1.00 0.00 H new ATOM 0 HB3 TRP A 89 3.851 -0.942 4.054 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.720 2.276 2.127 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.716 1.828 -0.276 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.319 -1.794 3.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.371 -0.280 -1.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.781 -2.906 1.791 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.766 -2.204 -0.577 1.00 0.00 H new ATOM 1088 N ASP A 90 3.031 0.472 7.081 1.00 0.00 N ATOM 1089 CA ASP A 90 2.438 -0.060 8.341 1.00 0.00 C ATOM 1090 C ASP A 90 0.946 0.391 8.585 1.00 0.00 C ATOM 1091 O ASP A 90 0.169 -0.410 9.102 1.00 0.00 O ATOM 1092 CB ASP A 90 3.434 0.322 9.471 1.00 0.00 C ATOM 1093 CG ASP A 90 3.106 -0.161 10.879 1.00 0.00 C ATOM 1094 OD1 ASP A 90 2.218 0.312 11.577 1.00 0.00 O ATOM 1095 OD2 ASP A 90 3.932 -1.155 11.290 1.00 0.00 O ATOM 0 H ASP A 90 3.880 1.023 7.209 1.00 0.00 H new ATOM 0 HA ASP A 90 2.325 -1.143 8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.416 -0.065 9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.516 1.409 9.497 1.00 0.00 H new ATOM 1101 N ILE A 91 0.534 1.613 8.185 1.00 0.00 N ATOM 1102 CA ILE A 91 -0.894 2.044 8.230 1.00 0.00 C ATOM 1103 C ILE A 91 -1.764 1.217 7.213 1.00 0.00 C ATOM 1104 O ILE A 91 -2.730 0.544 7.595 1.00 0.00 O ATOM 1105 CB ILE A 91 -0.993 3.626 8.164 1.00 0.00 C ATOM 1106 CG1 ILE A 91 -1.292 4.224 9.571 1.00 0.00 C ATOM 1107 CG2 ILE A 91 -2.042 4.202 7.178 1.00 0.00 C ATOM 1108 CD1 ILE A 91 -0.192 3.966 10.623 1.00 0.00 C ATOM 0 H ILE A 91 1.168 2.327 7.825 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.350 1.800 9.189 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.013 3.920 7.788 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.437 5.300 9.471 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.231 3.809 9.936 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.020 5.291 7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.810 3.872 6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.035 3.849 7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.483 4.417 11.572 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.061 2.892 10.757 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.746 4.407 10.284 1.00 0.00 H new ATOM 1120 N ALA A 92 -1.383 1.252 5.925 1.00 0.00 N ATOM 1121 CA ALA A 92 -2.076 0.484 4.866 1.00 0.00 C ATOM 1122 C ALA A 92 -2.087 -1.074 5.033 1.00 0.00 C ATOM 1123 O ALA A 92 -3.152 -1.683 4.901 1.00 0.00 O ATOM 1124 CB ALA A 92 -1.487 0.989 3.549 1.00 0.00 C ATOM 0 H ALA A 92 -0.596 1.805 5.587 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.149 0.668 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.954 0.463 2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.674 2.059 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.413 0.806 3.537 1.00 0.00 H new ATOM 1130 N VAL A 93 -0.940 -1.704 5.352 1.00 0.00 N ATOM 1131 CA VAL A 93 -0.856 -3.168 5.670 1.00 0.00 C ATOM 1132 C VAL A 93 -1.673 -3.563 6.952 1.00 0.00 C ATOM 1133 O VAL A 93 -2.289 -4.632 6.960 1.00 0.00 O ATOM 1134 CB VAL A 93 0.630 -3.664 5.655 1.00 0.00 C ATOM 1135 CG1 VAL A 93 0.807 -5.140 6.056 1.00 0.00 C ATOM 1136 CG2 VAL A 93 1.306 -3.581 4.268 1.00 0.00 C ATOM 0 H VAL A 93 -0.040 -1.226 5.400 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.356 -3.716 4.871 1.00 0.00 H new ATOM 0 HB VAL A 93 1.086 -2.987 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.864 -5.403 6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.430 -5.290 7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.252 -5.774 5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.332 -3.942 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.755 -4.196 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.309 -2.546 3.926 1.00 0.00 H new ATOM 1146 N ALA A 94 -1.694 -2.744 8.025 1.00 0.00 N ATOM 1147 CA ALA A 94 -2.602 -2.969 9.184 1.00 0.00 C ATOM 1148 C ALA A 94 -4.129 -3.034 8.783 1.00 0.00 C ATOM 1149 O ALA A 94 -4.880 -3.841 9.329 1.00 0.00 O ATOM 1150 CB ALA A 94 -2.314 -1.904 10.255 1.00 0.00 C ATOM 0 H ALA A 94 -1.097 -1.922 8.118 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.394 -3.956 9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.974 -2.059 11.109 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.276 -1.985 10.579 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.488 -0.912 9.838 1.00 0.00 H new ATOM 1156 N THR A 95 -4.567 -2.218 7.804 1.00 0.00 N ATOM 1157 CA THR A 95 -5.956 -2.285 7.239 1.00 0.00 C ATOM 1158 C THR A 95 -6.200 -3.392 6.122 1.00 0.00 C ATOM 1159 O THR A 95 -7.269 -3.388 5.504 1.00 0.00 O ATOM 1160 CB THR A 95 -6.384 -0.861 6.739 1.00 0.00 C ATOM 1161 OG1 THR A 95 -5.494 -0.331 5.754 1.00 0.00 O ATOM 1162 CG2 THR A 95 -6.514 0.202 7.843 1.00 0.00 C ATOM 0 H THR A 95 -3.986 -1.497 7.377 1.00 0.00 H new ATOM 0 HA THR A 95 -6.593 -2.613 8.061 1.00 0.00 H new ATOM 0 HB THR A 95 -7.371 -1.049 6.316 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.762 -0.964 5.600 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.813 1.152 7.400 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.266 -0.114 8.566 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.555 0.323 8.346 1.00 0.00 H new ATOM 1170 N MET A 96 -5.289 -4.361 5.872 1.00 0.00 N ATOM 1171 CA MET A 96 -5.449 -5.400 4.813 1.00 0.00 C ATOM 1172 C MET A 96 -6.079 -6.763 5.272 1.00 0.00 C ATOM 1173 O MET A 96 -5.672 -7.371 6.264 1.00 0.00 O ATOM 1174 CB MET A 96 -4.035 -5.805 4.278 1.00 0.00 C ATOM 1175 CG MET A 96 -3.269 -4.911 3.293 1.00 0.00 C ATOM 1176 SD MET A 96 -1.600 -5.608 3.240 1.00 0.00 S ATOM 1177 CE MET A 96 -0.773 -4.741 1.899 1.00 0.00 C ATOM 0 H MET A 96 -4.419 -4.450 6.397 1.00 0.00 H new ATOM 0 HA MET A 96 -6.116 -4.929 4.091 1.00 0.00 H new ATOM 0 HB2 MET A 96 -3.393 -5.942 5.148 1.00 0.00 H new ATOM 0 HB3 MET A 96 -4.142 -6.781 3.804 1.00 0.00 H new ATOM 0 HG2 MET A 96 -3.733 -4.920 2.307 1.00 0.00 H new ATOM 0 HG3 MET A 96 -3.254 -3.874 3.629 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.264 -5.071 1.837 1.00 0.00 H new ATOM 0 HE2 MET A 96 -1.279 -4.958 0.958 1.00 0.00 H new ATOM 0 HE3 MET A 96 -0.802 -3.668 2.087 1.00 0.00 H new ATOM 1187 N LYS A 97 -7.028 -7.288 4.489 1.00 0.00 N ATOM 1188 CA LYS A 97 -7.477 -8.711 4.604 1.00 0.00 C ATOM 1189 C LYS A 97 -6.537 -9.552 3.645 1.00 0.00 C ATOM 1190 O LYS A 97 -5.867 -8.992 2.763 1.00 0.00 O ATOM 1191 CB LYS A 97 -8.981 -8.871 4.230 1.00 0.00 C ATOM 1192 CG LYS A 97 -10.043 -8.414 5.257 1.00 0.00 C ATOM 1193 CD LYS A 97 -10.255 -6.891 5.349 1.00 0.00 C ATOM 1194 CE LYS A 97 -11.303 -6.503 6.397 1.00 0.00 C ATOM 1195 NZ LYS A 97 -11.467 -5.036 6.389 1.00 0.00 N ATOM 0 H LYS A 97 -7.511 -6.760 3.762 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.397 -9.065 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.154 -8.321 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.160 -9.924 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.994 -8.882 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.756 -8.785 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.308 -6.410 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.563 -6.512 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.253 -6.990 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.992 -6.842 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.177 -4.762 7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.558 -4.584 6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.781 -4.727 5.447 1.00 0.00 H new ATOM 1208 N VAL A 98 -6.443 -10.894 3.753 1.00 0.00 N ATOM 1209 CA VAL A 98 -5.553 -11.701 2.842 1.00 0.00 C ATOM 1210 C VAL A 98 -5.947 -11.470 1.307 1.00 0.00 C ATOM 1211 O VAL A 98 -7.138 -11.625 0.999 1.00 0.00 O ATOM 1212 CB VAL A 98 -5.709 -13.230 3.123 1.00 0.00 C ATOM 1213 CG1 VAL A 98 -5.022 -14.205 2.139 1.00 0.00 C ATOM 1214 CG2 VAL A 98 -5.179 -13.657 4.506 1.00 0.00 C ATOM 0 H VAL A 98 -6.954 -11.447 4.441 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.531 -11.374 3.032 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.791 -13.317 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.211 -15.232 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.422 -14.052 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.948 -14.019 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.319 -14.730 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.118 -13.418 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.725 -13.125 5.285 1.00 0.00 H new ATOM 1224 N GLY A 99 -5.053 -11.187 0.324 1.00 0.00 N ATOM 1225 CA GLY A 99 -5.541 -10.912 -1.084 1.00 0.00 C ATOM 1226 C GLY A 99 -5.860 -9.415 -1.370 1.00 0.00 C ATOM 1227 O GLY A 99 -5.870 -9.033 -2.541 1.00 0.00 O ATOM 0 H GLY A 99 -4.042 -11.141 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.784 -11.252 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.438 -11.504 -1.268 1.00 0.00 H new ATOM 1231 N GLU A 100 -6.115 -8.560 -0.348 1.00 0.00 N ATOM 1232 CA GLU A 100 -6.346 -7.117 -0.563 1.00 0.00 C ATOM 1233 C GLU A 100 -5.050 -6.321 -0.938 1.00 0.00 C ATOM 1234 O GLU A 100 -3.921 -6.744 -0.717 1.00 0.00 O ATOM 1235 CB GLU A 100 -6.929 -6.483 0.745 1.00 0.00 C ATOM 1236 CG GLU A 100 -8.445 -6.659 0.955 1.00 0.00 C ATOM 1237 CD GLU A 100 -9.087 -5.770 2.014 1.00 0.00 C ATOM 1238 OE1 GLU A 100 -8.475 -5.205 2.913 1.00 0.00 O ATOM 1239 OE2 GLU A 100 -10.435 -5.684 1.856 1.00 0.00 O ATOM 0 H GLU A 100 -6.165 -8.848 0.629 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.038 -7.045 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.410 -6.917 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.703 -5.417 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.946 -6.475 0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.635 -7.699 1.220 1.00 0.00 H new ATOM 1247 N LEU A 101 -5.268 -5.115 -1.460 1.00 0.00 N ATOM 1248 CA LEU A 101 -4.265 -4.049 -1.678 1.00 0.00 C ATOM 1249 C LEU A 101 -4.726 -2.938 -2.686 1.00 0.00 C ATOM 1250 O LEU A 101 -5.670 -3.096 -3.479 1.00 0.00 O ATOM 1251 CB LEU A 101 -3.099 -3.846 -0.627 1.00 0.00 C ATOM 1252 CG LEU A 101 -2.977 -2.616 0.338 1.00 0.00 C ATOM 1253 CD1 LEU A 101 -1.945 -1.567 -0.094 1.00 0.00 C ATOM 1254 CD2 LEU A 101 -4.243 -1.998 0.946 1.00 0.00 C ATOM 0 H LEU A 101 -6.199 -4.830 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.444 -4.454 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.110 -4.730 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.170 -3.876 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.578 -3.140 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.928 -0.753 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.958 -2.027 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.214 -1.174 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.967 -1.160 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.896 -1.646 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.767 -2.749 1.537 1.00 0.00 H new ATOM 1266 N CYS A 102 -4.119 -1.764 -2.526 1.00 0.00 N ATOM 1267 CA CYS A 102 -4.548 -0.502 -3.145 1.00 0.00 C ATOM 1268 C CYS A 102 -3.364 0.393 -3.564 1.00 0.00 C ATOM 1269 O CYS A 102 -2.194 0.080 -3.304 1.00 0.00 O ATOM 1270 CB CYS A 102 -5.229 0.217 -1.938 1.00 0.00 C ATOM 1271 SG CYS A 102 -6.641 -0.667 -1.215 1.00 0.00 S ATOM 0 H CYS A 102 -3.288 -1.656 -1.944 1.00 0.00 H new ATOM 0 HA CYS A 102 -5.150 -0.678 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -4.482 0.375 -1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.564 1.202 -2.263 1.00 0.00 H new ATOM 0 HG CYS A 102 -7.122 0.022 -0.223 1.00 0.00 H new ATOM 1277 N ARG A 103 -3.657 1.568 -4.163 1.00 0.00 N ATOM 1278 CA ARG A 103 -2.633 2.561 -4.423 1.00 0.00 C ATOM 1279 C ARG A 103 -2.615 3.552 -3.230 1.00 0.00 C ATOM 1280 O ARG A 103 -3.577 4.244 -2.881 1.00 0.00 O ATOM 1281 CB ARG A 103 -2.595 3.254 -5.787 1.00 0.00 C ATOM 1282 CG ARG A 103 -3.647 3.093 -6.919 1.00 0.00 C ATOM 1283 CD ARG A 103 -3.977 1.659 -7.381 1.00 0.00 C ATOM 1284 NE ARG A 103 -4.768 1.698 -8.639 1.00 0.00 N ATOM 1285 CZ ARG A 103 -6.094 1.658 -8.735 1.00 0.00 C ATOM 1286 NH1 ARG A 103 -6.907 1.598 -7.724 1.00 0.00 N ATOM 1287 NH2 ARG A 103 -6.600 1.675 -9.916 1.00 0.00 N ATOM 0 H ARG A 103 -4.593 1.836 -4.468 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.704 1.997 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.552 4.322 -5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.639 2.978 -6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.573 3.562 -6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.298 3.654 -7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.056 1.098 -7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.538 1.139 -6.605 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.244 1.761 -9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.538 1.579 -6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.915 1.570 -7.881 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.989 1.718 -10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.612 1.646 -10.038 1.00 0.00 H new ATOM 1300 N ILE A 104 -1.446 3.559 -2.627 1.00 0.00 N ATOM 1301 CA ILE A 104 -1.123 4.355 -1.430 1.00 0.00 C ATOM 1302 C ILE A 104 -0.704 5.802 -1.878 1.00 0.00 C ATOM 1303 O ILE A 104 0.294 5.978 -2.584 1.00 0.00 O ATOM 1304 CB ILE A 104 0.040 3.600 -0.655 1.00 0.00 C ATOM 1305 CG1 ILE A 104 -0.409 2.221 -0.067 1.00 0.00 C ATOM 1306 CG2 ILE A 104 0.714 4.479 0.423 1.00 0.00 C ATOM 1307 CD1 ILE A 104 0.443 1.555 1.047 1.00 0.00 C ATOM 0 H ILE A 104 -0.660 2.998 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.978 4.459 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 104 0.795 3.389 -1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.419 2.345 0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -0.472 1.516 -0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.500 3.909 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.147 5.362 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.029 4.787 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.013 0.608 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.451 1.374 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.489 2.215 1.913 1.00 0.00 H new ATOM 1319 N THR A 105 -1.446 6.831 -1.454 1.00 0.00 N ATOM 1320 CA THR A 105 -1.072 8.260 -1.713 1.00 0.00 C ATOM 1321 C THR A 105 -0.726 8.800 -0.295 1.00 0.00 C ATOM 1322 O THR A 105 -1.620 9.014 0.534 1.00 0.00 O ATOM 1323 CB THR A 105 -2.199 9.001 -2.483 1.00 0.00 C ATOM 1324 OG1 THR A 105 -2.447 8.343 -3.721 1.00 0.00 O ATOM 1325 CG2 THR A 105 -1.865 10.457 -2.834 1.00 0.00 C ATOM 0 H THR A 105 -2.313 6.719 -0.928 1.00 0.00 H new ATOM 0 HA THR A 105 -0.221 8.406 -2.378 1.00 0.00 H new ATOM 0 HB THR A 105 -3.057 8.990 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.160 8.812 -4.204 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.703 10.903 -3.370 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.680 11.019 -1.918 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.975 10.485 -3.463 1.00 0.00 H new ATOM 1333 N CYS A 106 0.579 8.940 0.003 1.00 0.00 N ATOM 1334 CA CYS A 106 1.041 9.276 1.375 1.00 0.00 C ATOM 1335 C CYS A 106 1.835 10.593 1.563 1.00 0.00 C ATOM 1336 O CYS A 106 2.719 10.950 0.782 1.00 0.00 O ATOM 1337 CB CYS A 106 1.875 8.094 1.913 1.00 0.00 C ATOM 1338 SG CYS A 106 3.235 7.569 0.807 1.00 0.00 S ATOM 0 H CYS A 106 1.331 8.828 -0.677 1.00 0.00 H new ATOM 0 HA CYS A 106 0.123 9.452 1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.295 8.371 2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.213 7.245 2.084 1.00 0.00 H new ATOM 0 HG CYS A 106 4.371 7.693 1.427 1.00 0.00 H new ATOM 1344 N LYS A 107 1.542 11.261 2.691 1.00 0.00 N ATOM 1345 CA LYS A 107 2.253 12.506 3.110 1.00 0.00 C ATOM 1346 C LYS A 107 3.725 12.168 3.568 1.00 0.00 C ATOM 1347 O LYS A 107 3.896 11.147 4.253 1.00 0.00 O ATOM 1348 CB LYS A 107 1.457 13.201 4.250 1.00 0.00 C ATOM 1349 CG LYS A 107 0.081 13.782 3.849 1.00 0.00 C ATOM 1350 CD LYS A 107 -0.583 14.559 5.001 1.00 0.00 C ATOM 1351 CE LYS A 107 -1.962 15.107 4.609 1.00 0.00 C ATOM 1352 NZ LYS A 107 -2.526 15.876 5.736 1.00 0.00 N ATOM 0 H LYS A 107 0.814 10.966 3.341 1.00 0.00 H new ATOM 0 HA LYS A 107 2.316 13.190 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.306 12.481 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.068 14.008 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.204 14.443 2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.576 12.971 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.686 13.905 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.063 15.384 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.875 15.743 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.629 14.287 4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.460 16.247 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.623 15.256 6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.892 16.667 5.968 1.00 0.00 H new ATOM 1365 N PRO A 108 4.811 12.960 3.307 1.00 0.00 N ATOM 1366 CA PRO A 108 6.197 12.538 3.654 1.00 0.00 C ATOM 1367 C PRO A 108 6.559 12.250 5.147 1.00 0.00 C ATOM 1368 O PRO A 108 7.527 11.527 5.358 1.00 0.00 O ATOM 1369 CB PRO A 108 7.049 13.600 2.956 1.00 0.00 C ATOM 1370 CG PRO A 108 6.194 14.853 3.029 1.00 0.00 C ATOM 1371 CD PRO A 108 4.765 14.345 2.779 1.00 0.00 C ATOM 0 HA PRO A 108 6.379 11.519 3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 108 8.006 13.739 3.458 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.267 13.324 1.924 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.280 15.339 4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 108 6.494 15.585 2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.023 14.952 3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.508 14.366 1.720 1.00 0.00 H new ATOM 1379 N GLU A 109 5.828 12.724 6.177 1.00 0.00 N ATOM 1380 CA GLU A 109 6.105 12.324 7.591 1.00 0.00 C ATOM 1381 C GLU A 109 5.910 10.782 7.861 1.00 0.00 C ATOM 1382 O GLU A 109 6.630 10.183 8.662 1.00 0.00 O ATOM 1383 CB GLU A 109 5.336 13.251 8.571 1.00 0.00 C ATOM 1384 CG GLU A 109 5.808 13.184 10.050 1.00 0.00 C ATOM 1385 CD GLU A 109 7.234 13.683 10.302 1.00 0.00 C ATOM 1386 OE1 GLU A 109 7.521 14.854 10.528 1.00 0.00 O ATOM 1387 OE2 GLU A 109 8.154 12.684 10.220 1.00 0.00 O ATOM 0 H GLU A 109 5.050 13.375 6.069 1.00 0.00 H new ATOM 0 HA GLU A 109 7.168 12.473 7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.429 14.280 8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.277 12.996 8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.122 13.770 10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.736 12.151 10.391 1.00 0.00 H new ATOM 1395 N TYR A 110 4.946 10.152 7.166 1.00 0.00 N ATOM 1396 CA TYR A 110 4.787 8.685 7.114 1.00 0.00 C ATOM 1397 C TYR A 110 5.860 7.962 6.211 1.00 0.00 C ATOM 1398 O TYR A 110 5.892 6.733 6.210 1.00 0.00 O ATOM 1399 CB TYR A 110 3.329 8.412 6.645 1.00 0.00 C ATOM 1400 CG TYR A 110 2.270 8.459 7.763 1.00 0.00 C ATOM 1401 CD1 TYR A 110 2.017 9.645 8.456 1.00 0.00 C ATOM 1402 CD2 TYR A 110 1.660 7.277 8.200 1.00 0.00 C ATOM 1403 CE1 TYR A 110 1.282 9.628 9.639 1.00 0.00 C ATOM 1404 CE2 TYR A 110 0.936 7.262 9.383 1.00 0.00 C ATOM 1405 CZ TYR A 110 0.775 8.428 10.122 1.00 0.00 C ATOM 1406 OH TYR A 110 0.034 8.405 11.270 1.00 0.00 O ATOM 0 H TYR A 110 4.246 10.652 6.618 1.00 0.00 H new ATOM 0 HA TYR A 110 4.963 8.261 8.102 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.065 9.145 5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.293 7.431 6.171 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.394 10.581 8.072 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.753 6.374 7.614 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.106 10.546 10.180 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.495 6.340 9.732 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.242 7.485 11.463 1.00 0.00 H new ATOM 1416 N ALA A 111 6.706 8.690 5.451 1.00 0.00 N ATOM 1417 CA ALA A 111 7.777 8.119 4.603 1.00 0.00 C ATOM 1418 C ALA A 111 9.199 8.655 5.015 1.00 0.00 C ATOM 1419 O ALA A 111 9.752 8.161 6.000 1.00 0.00 O ATOM 1420 CB ALA A 111 7.341 8.400 3.154 1.00 0.00 C ATOM 0 H ALA A 111 6.664 9.708 5.408 1.00 0.00 H new ATOM 0 HA ALA A 111 7.900 7.043 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.088 8.004 2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.381 7.920 2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.244 9.475 3.005 1.00 0.00 H new ATOM 1426 N TYR A 112 9.803 9.626 4.289 1.00 0.00 N ATOM 1427 CA TYR A 112 11.161 10.182 4.628 1.00 0.00 C ATOM 1428 C TYR A 112 11.182 11.763 4.813 1.00 0.00 C ATOM 1429 O TYR A 112 12.280 12.314 4.880 1.00 0.00 O ATOM 1430 CB TYR A 112 12.310 9.622 3.687 1.00 0.00 C ATOM 1431 CG TYR A 112 12.113 8.235 3.024 1.00 0.00 C ATOM 1432 CD1 TYR A 112 12.513 7.096 3.724 1.00 0.00 C ATOM 1433 CD2 TYR A 112 11.482 8.083 1.780 1.00 0.00 C ATOM 1434 CE1 TYR A 112 12.306 5.825 3.195 1.00 0.00 C ATOM 1435 CE2 TYR A 112 11.295 6.805 1.244 1.00 0.00 C ATOM 1436 CZ TYR A 112 11.700 5.683 1.953 1.00 0.00 C ATOM 1437 OH TYR A 112 11.490 4.437 1.428 1.00 0.00 O ATOM 0 H TYR A 112 9.381 10.049 3.462 1.00 0.00 H new ATOM 0 HA TYR A 112 11.394 9.798 5.621 1.00 0.00 H new ATOM 0 HB2 TYR A 112 12.471 10.350 2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.228 9.582 4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.989 7.202 4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.141 8.952 1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 112 12.616 4.951 3.749 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.833 6.691 0.274 1.00 0.00 H new ATOM 0 HH TYR A 112 11.055 4.519 0.554 1.00 0.00 H new ATOM 1447 N GLY A 113 10.058 12.525 4.967 1.00 0.00 N ATOM 1448 CA GLY A 113 10.065 14.013 5.135 1.00 0.00 C ATOM 1449 C GLY A 113 10.905 14.735 6.206 1.00 0.00 C ATOM 1450 O GLY A 113 11.308 15.875 5.977 1.00 0.00 O ATOM 0 H GLY A 113 9.120 12.124 4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.365 14.431 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.030 14.310 5.303 1.00 0.00 H new ATOM 1454 N SER A 114 11.156 14.128 7.372 1.00 0.00 N ATOM 1455 CA SER A 114 12.051 14.739 8.410 1.00 0.00 C ATOM 1456 C SER A 114 13.584 14.870 8.028 1.00 0.00 C ATOM 1457 O SER A 114 14.335 15.547 8.733 1.00 0.00 O ATOM 1458 CB SER A 114 11.852 13.954 9.731 1.00 0.00 C ATOM 1459 OG SER A 114 10.513 14.060 10.229 1.00 0.00 O ATOM 0 H SER A 114 10.765 13.223 7.636 1.00 0.00 H new ATOM 0 HA SER A 114 11.747 15.781 8.510 1.00 0.00 H new ATOM 0 HB2 SER A 114 12.095 12.904 9.567 1.00 0.00 H new ATOM 0 HB3 SER A 114 12.548 14.328 10.482 1.00 0.00 H new ATOM 0 HG SER A 114 10.002 13.267 9.964 1.00 0.00 H new ATOM 1465 N ALA A 115 14.038 14.227 6.935 1.00 0.00 N ATOM 1466 CA ALA A 115 15.436 14.290 6.428 1.00 0.00 C ATOM 1467 C ALA A 115 15.541 14.106 4.870 1.00 0.00 C ATOM 1468 O ALA A 115 16.025 14.998 4.171 1.00 0.00 O ATOM 1469 CB ALA A 115 16.306 13.291 7.226 1.00 0.00 C ATOM 0 H ALA A 115 13.436 13.635 6.363 1.00 0.00 H new ATOM 0 HA ALA A 115 15.823 15.295 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 115 17.332 13.330 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 115 16.286 13.555 8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 115 15.913 12.282 7.097 1.00 0.00 H new ATOM 1475 N GLY A 116 15.088 12.959 4.341 1.00 0.00 N ATOM 1476 CA GLY A 116 15.154 12.587 2.912 1.00 0.00 C ATOM 1477 C GLY A 116 15.712 11.157 2.743 1.00 0.00 C ATOM 1478 O GLY A 116 16.463 10.673 3.601 1.00 0.00 O ATOM 0 H GLY A 116 14.650 12.237 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.160 12.649 2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 116 15.786 13.295 2.376 1.00 0.00 H new ATOM 1482 N SER A 117 15.354 10.437 1.665 1.00 0.00 N ATOM 1483 CA SER A 117 15.932 9.083 1.450 1.00 0.00 C ATOM 1484 C SER A 117 17.357 9.232 0.787 1.00 0.00 C ATOM 1485 O SER A 117 17.413 9.873 -0.271 1.00 0.00 O ATOM 1486 CB SER A 117 15.039 8.201 0.572 1.00 0.00 C ATOM 1487 OG SER A 117 15.405 6.824 0.688 1.00 0.00 O ATOM 0 H SER A 117 14.695 10.746 0.951 1.00 0.00 H new ATOM 0 HA SER A 117 16.011 8.593 2.420 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.996 8.329 0.863 1.00 0.00 H new ATOM 0 HB3 SER A 117 15.121 8.516 -0.468 1.00 0.00 H new ATOM 0 HG SER A 117 14.820 6.281 0.120 1.00 0.00 H new ATOM 1493 N PRO A 118 18.493 8.662 1.291 1.00 0.00 N ATOM 1494 CA PRO A 118 19.847 8.847 0.680 1.00 0.00 C ATOM 1495 C PRO A 118 20.060 8.843 -0.887 1.00 0.00 C ATOM 1496 O PRO A 118 20.794 9.730 -1.335 1.00 0.00 O ATOM 1497 CB PRO A 118 20.704 7.828 1.452 1.00 0.00 C ATOM 1498 CG PRO A 118 20.031 7.739 2.825 1.00 0.00 C ATOM 1499 CD PRO A 118 18.532 7.893 2.550 1.00 0.00 C ATOM 0 HA PRO A 118 20.130 9.894 0.788 1.00 0.00 H new ATOM 0 HB2 PRO A 118 20.719 6.860 0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 118 21.739 8.160 1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 118 20.247 6.786 3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 118 20.391 8.523 3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 118 18.041 6.925 2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 118 18.027 8.421 3.359 1.00 0.00 H new ATOM 1507 N PRO A 119 19.485 7.957 -1.759 1.00 0.00 N ATOM 1508 CA PRO A 119 19.719 8.026 -3.232 1.00 0.00 C ATOM 1509 C PRO A 119 18.803 8.961 -4.109 1.00 0.00 C ATOM 1510 O PRO A 119 19.119 9.105 -5.294 1.00 0.00 O ATOM 1511 CB PRO A 119 19.560 6.538 -3.605 1.00 0.00 C ATOM 1512 CG PRO A 119 18.484 6.008 -2.653 1.00 0.00 C ATOM 1513 CD PRO A 119 18.755 6.742 -1.339 1.00 0.00 C ATOM 0 HA PRO A 119 20.676 8.501 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.259 6.421 -4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 119 20.498 5.997 -3.482 1.00 0.00 H new ATOM 0 HG2 PRO A 119 17.482 6.218 -3.027 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.558 4.928 -2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.829 6.991 -0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 119 19.349 6.134 -0.656 1.00 0.00 H new ATOM 1521 N LYS A 120 17.688 9.560 -3.621 1.00 0.00 N ATOM 1522 CA LYS A 120 16.790 10.398 -4.483 1.00 0.00 C ATOM 1523 C LYS A 120 15.809 11.416 -3.791 1.00 0.00 C ATOM 1524 O LYS A 120 15.653 12.543 -4.269 1.00 0.00 O ATOM 1525 CB LYS A 120 15.955 9.444 -5.407 1.00 0.00 C ATOM 1526 CG LYS A 120 15.172 10.102 -6.573 1.00 0.00 C ATOM 1527 CD LYS A 120 14.031 9.201 -7.082 1.00 0.00 C ATOM 1528 CE LYS A 120 13.221 9.861 -8.206 1.00 0.00 C ATOM 1529 NZ LYS A 120 12.003 9.066 -8.460 1.00 0.00 N ATOM 0 H LYS A 120 17.385 9.486 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 120 17.486 11.047 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.633 8.703 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 120 15.243 8.905 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.761 11.055 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 120 15.857 10.318 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.448 8.260 -7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.366 8.958 -6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.953 10.880 -7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.822 9.927 -9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 11.341 9.620 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 12.257 8.193 -8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 11.551 8.824 -7.555 1.00 0.00 H new ATOM 1542 N ILE A 121 15.122 11.029 -2.711 1.00 0.00 N ATOM 1543 CA ILE A 121 14.004 11.817 -2.126 1.00 0.00 C ATOM 1544 C ILE A 121 14.425 13.034 -1.211 1.00 0.00 C ATOM 1545 O ILE A 121 15.123 12.794 -0.220 1.00 0.00 O ATOM 1546 CB ILE A 121 13.073 10.804 -1.364 1.00 0.00 C ATOM 1547 CG1 ILE A 121 12.492 9.691 -2.298 1.00 0.00 C ATOM 1548 CG2 ILE A 121 11.889 11.492 -0.622 1.00 0.00 C ATOM 1549 CD1 ILE A 121 12.677 8.245 -1.844 1.00 0.00 C ATOM 0 H ILE A 121 15.316 10.162 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 121 13.483 12.311 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 121 13.732 10.347 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 121 11.425 9.874 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 121 12.950 9.800 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 121 11.287 10.736 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 121 12.280 12.195 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 121 11.270 12.027 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 121 12.231 7.573 -2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 121 13.741 8.026 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 121 12.192 8.102 -0.878 1.00 0.00 H new ATOM 1561 N PRO A 122 13.988 14.315 -1.429 1.00 0.00 N ATOM 1562 CA PRO A 122 14.290 15.435 -0.499 1.00 0.00 C ATOM 1563 C PRO A 122 13.202 15.574 0.651 1.00 0.00 C ATOM 1564 O PRO A 122 12.149 14.925 0.573 1.00 0.00 O ATOM 1565 CB PRO A 122 14.348 16.603 -1.503 1.00 0.00 C ATOM 1566 CG PRO A 122 13.327 16.277 -2.596 1.00 0.00 C ATOM 1567 CD PRO A 122 13.194 14.751 -2.601 1.00 0.00 C ATOM 0 HA PRO A 122 15.200 15.337 0.093 1.00 0.00 H new ATOM 0 HB2 PRO A 122 14.108 17.548 -1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.349 16.706 -1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 122 12.368 16.752 -2.390 1.00 0.00 H new ATOM 0 HG3 PRO A 122 13.662 16.643 -3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.152 14.441 -2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 122 13.579 14.320 -3.526 1.00 0.00 H new ATOM 1575 N PRO A 123 13.364 16.414 1.716 1.00 0.00 N ATOM 1576 CA PRO A 123 12.354 16.526 2.815 1.00 0.00 C ATOM 1577 C PRO A 123 10.909 17.026 2.440 1.00 0.00 C ATOM 1578 O PRO A 123 9.919 16.467 2.918 1.00 0.00 O ATOM 1579 CB PRO A 123 13.092 17.390 3.857 1.00 0.00 C ATOM 1580 CG PRO A 123 14.169 18.151 3.081 1.00 0.00 C ATOM 1581 CD PRO A 123 14.596 17.184 1.976 1.00 0.00 C ATOM 0 HA PRO A 123 12.065 15.540 3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 123 12.406 18.078 4.351 1.00 0.00 H new ATOM 0 HB3 PRO A 123 13.536 16.770 4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 123 13.778 19.080 2.667 1.00 0.00 H new ATOM 0 HG3 PRO A 123 15.009 18.416 3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 123 14.937 17.713 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 123 15.415 16.540 2.297 1.00 0.00 H new ATOM 1589 N ASN A 124 10.765 18.051 1.581 1.00 0.00 N ATOM 1590 CA ASN A 124 9.444 18.574 1.147 1.00 0.00 C ATOM 1591 C ASN A 124 8.907 17.862 -0.163 1.00 0.00 C ATOM 1592 O ASN A 124 8.688 18.526 -1.183 1.00 0.00 O ATOM 1593 CB ASN A 124 9.556 20.127 1.055 1.00 0.00 C ATOM 1594 CG ASN A 124 8.218 20.866 1.074 1.00 0.00 C ATOM 1595 OD1 ASN A 124 7.681 21.211 2.118 1.00 0.00 O ATOM 1596 ND2 ASN A 124 7.630 21.138 -0.060 1.00 0.00 N ATOM 0 H ASN A 124 11.555 18.544 1.165 1.00 0.00 H new ATOM 0 HA ASN A 124 8.675 18.334 1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.164 20.484 1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.086 20.386 0.138 1.00 0.00 H new ATOM 0 HD21 ASN A 124 6.737 21.631 -0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 124 8.064 20.858 -0.940 1.00 0.00 H new ATOM 1603 N ALA A 125 8.670 16.530 -0.158 1.00 0.00 N ATOM 1604 CA ALA A 125 8.177 15.792 -1.355 1.00 0.00 C ATOM 1605 C ALA A 125 7.290 14.566 -0.962 1.00 0.00 C ATOM 1606 O ALA A 125 7.776 13.582 -0.400 1.00 0.00 O ATOM 1607 CB ALA A 125 9.404 15.358 -2.180 1.00 0.00 C ATOM 0 H ALA A 125 8.811 15.939 0.661 1.00 0.00 H new ATOM 0 HA ALA A 125 7.537 16.444 -1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.074 14.814 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.967 16.240 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 125 10.040 14.713 -1.574 1.00 0.00 H new ATOM 1613 N THR A 126 5.990 14.610 -1.293 1.00 0.00 N ATOM 1614 CA THR A 126 5.007 13.518 -0.989 1.00 0.00 C ATOM 1615 C THR A 126 5.330 12.165 -1.762 1.00 0.00 C ATOM 1616 O THR A 126 5.991 12.203 -2.807 1.00 0.00 O ATOM 1617 CB THR A 126 3.609 14.116 -1.378 1.00 0.00 C ATOM 1618 OG1 THR A 126 3.332 15.302 -0.637 1.00 0.00 O ATOM 1619 CG2 THR A 126 2.351 13.263 -1.182 1.00 0.00 C ATOM 0 H THR A 126 5.573 15.402 -1.782 1.00 0.00 H new ATOM 0 HA THR A 126 5.044 13.228 0.061 1.00 0.00 H new ATOM 0 HB THR A 126 3.758 14.243 -2.450 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.456 15.655 -0.900 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.475 13.828 -1.500 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.432 12.353 -1.777 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.250 13.000 -0.129 1.00 0.00 H new ATOM 1627 N LEU A 127 4.902 10.970 -1.291 1.00 0.00 N ATOM 1628 CA LEU A 127 5.176 9.682 -1.999 1.00 0.00 C ATOM 1629 C LEU A 127 3.873 9.006 -2.522 1.00 0.00 C ATOM 1630 O LEU A 127 2.735 9.264 -2.110 1.00 0.00 O ATOM 1631 CB LEU A 127 5.949 8.716 -1.039 1.00 0.00 C ATOM 1632 CG LEU A 127 7.445 8.956 -0.724 1.00 0.00 C ATOM 1633 CD1 LEU A 127 8.075 7.664 -0.200 1.00 0.00 C ATOM 1634 CD2 LEU A 127 8.242 9.367 -1.957 1.00 0.00 C ATOM 0 H LEU A 127 4.368 10.864 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 127 5.788 9.902 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.416 8.712 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.865 7.712 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 127 7.480 9.759 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.128 7.836 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.560 7.351 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.986 6.883 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.285 9.523 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.179 8.581 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.832 10.292 -2.364 1.00 0.00 H new ATOM 1646 N VAL A 128 4.111 8.079 -3.449 1.00 0.00 N ATOM 1647 CA VAL A 128 3.044 7.382 -4.217 1.00 0.00 C ATOM 1648 C VAL A 128 3.433 5.867 -4.365 1.00 0.00 C ATOM 1649 O VAL A 128 4.452 5.599 -5.003 1.00 0.00 O ATOM 1650 CB VAL A 128 2.946 8.142 -5.607 1.00 0.00 C ATOM 1651 CG1 VAL A 128 1.924 7.574 -6.593 1.00 0.00 C ATOM 1652 CG2 VAL A 128 2.655 9.669 -5.562 1.00 0.00 C ATOM 0 H VAL A 128 5.053 7.778 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 128 2.070 7.400 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 128 3.969 7.972 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.936 8.164 -7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.177 6.539 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.929 7.613 -6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.614 10.062 -6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.699 9.843 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.447 10.174 -5.009 1.00 0.00 H new ATOM 1662 N PHE A 129 2.715 4.867 -3.796 1.00 0.00 N ATOM 1663 CA PHE A 129 3.059 3.412 -4.051 1.00 0.00 C ATOM 1664 C PHE A 129 1.798 2.579 -4.439 1.00 0.00 C ATOM 1665 O PHE A 129 0.860 2.489 -3.653 1.00 0.00 O ATOM 1666 CB PHE A 129 3.808 2.581 -2.972 1.00 0.00 C ATOM 1667 CG PHE A 129 5.008 3.191 -2.248 1.00 0.00 C ATOM 1668 CD1 PHE A 129 4.837 4.276 -1.389 1.00 0.00 C ATOM 1669 CD2 PHE A 129 6.272 2.607 -2.370 1.00 0.00 C ATOM 1670 CE1 PHE A 129 5.929 4.821 -0.725 1.00 0.00 C ATOM 1671 CE2 PHE A 129 7.358 3.121 -1.670 1.00 0.00 C ATOM 1672 CZ PHE A 129 7.189 4.238 -0.861 1.00 0.00 C ATOM 0 H PHE A 129 1.918 5.014 -3.176 1.00 0.00 H new ATOM 0 HA PHE A 129 3.782 3.555 -4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.078 2.299 -2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.147 1.660 -3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 129 3.853 4.694 -1.239 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.406 1.750 -3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 129 5.802 5.695 -0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 129 8.328 2.654 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.035 4.656 -0.336 1.00 0.00 H new ATOM 1682 N GLU A 130 1.775 1.890 -5.586 1.00 0.00 N ATOM 1683 CA GLU A 130 0.661 0.963 -5.928 1.00 0.00 C ATOM 1684 C GLU A 130 1.106 -0.433 -5.407 1.00 0.00 C ATOM 1685 O GLU A 130 2.044 -1.020 -5.960 1.00 0.00 O ATOM 1686 CB GLU A 130 0.286 0.846 -7.426 1.00 0.00 C ATOM 1687 CG GLU A 130 -0.210 2.053 -8.266 1.00 0.00 C ATOM 1688 CD GLU A 130 -0.268 1.840 -9.779 1.00 0.00 C ATOM 1689 OE1 GLU A 130 0.041 0.803 -10.357 1.00 0.00 O ATOM 1690 OE2 GLU A 130 -0.698 2.954 -10.426 1.00 0.00 O ATOM 0 H GLU A 130 2.504 1.948 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.243 1.363 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 130 1.166 0.454 -7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.489 0.082 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.207 2.326 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.442 2.903 -8.064 1.00 0.00 H new ATOM 1698 N VAL A 131 0.475 -0.970 -4.356 1.00 0.00 N ATOM 1699 CA VAL A 131 0.936 -2.231 -3.727 1.00 0.00 C ATOM 1700 C VAL A 131 -0.241 -3.168 -3.361 1.00 0.00 C ATOM 1701 O VAL A 131 -1.342 -2.739 -3.020 1.00 0.00 O ATOM 1702 CB VAL A 131 1.977 -1.867 -2.615 1.00 0.00 C ATOM 1703 CG1 VAL A 131 1.748 -0.667 -1.697 1.00 0.00 C ATOM 1704 CG2 VAL A 131 2.562 -3.024 -1.758 1.00 0.00 C ATOM 0 H VAL A 131 -0.351 -0.561 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 131 1.479 -2.869 -4.424 1.00 0.00 H new ATOM 0 HB VAL A 131 2.710 -1.546 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 131 2.578 -0.581 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.683 0.242 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.819 -0.804 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.267 -2.619 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.753 -3.533 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.077 -3.733 -2.407 1.00 0.00 H new ATOM 1714 N GLU A 132 0.015 -4.473 -3.477 1.00 0.00 N ATOM 1715 CA GLU A 132 -1.029 -5.524 -3.236 1.00 0.00 C ATOM 1716 C GLU A 132 -0.476 -6.703 -2.396 1.00 0.00 C ATOM 1717 O GLU A 132 0.597 -7.248 -2.675 1.00 0.00 O ATOM 1718 CB GLU A 132 -1.503 -6.064 -4.603 1.00 0.00 C ATOM 1719 CG GLU A 132 -2.639 -7.122 -4.606 1.00 0.00 C ATOM 1720 CD GLU A 132 -2.976 -7.647 -6.001 1.00 0.00 C ATOM 1721 OE1 GLU A 132 -3.256 -6.930 -6.957 1.00 0.00 O ATOM 1722 OE2 GLU A 132 -2.962 -9.006 -6.064 1.00 0.00 O ATOM 0 H GLU A 132 0.928 -4.847 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.851 -5.072 -2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -1.833 -5.216 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -0.641 -6.496 -5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -2.347 -7.959 -3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -3.534 -6.684 -4.165 1.00 0.00 H new ATOM 1730 N LEU A 133 -1.241 -7.116 -1.387 1.00 0.00 N ATOM 1731 CA LEU A 133 -0.868 -8.286 -0.539 1.00 0.00 C ATOM 1732 C LEU A 133 -1.488 -9.640 -1.011 1.00 0.00 C ATOM 1733 O LEU A 133 -2.707 -9.815 -1.092 1.00 0.00 O ATOM 1734 CB LEU A 133 -1.355 -8.047 0.916 1.00 0.00 C ATOM 1735 CG LEU A 133 -1.078 -9.155 1.971 1.00 0.00 C ATOM 1736 CD1 LEU A 133 0.317 -9.007 2.575 1.00 0.00 C ATOM 1737 CD2 LEU A 133 -2.147 -9.160 3.063 1.00 0.00 C ATOM 0 H LEU A 133 -2.121 -6.672 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 133 0.216 -8.366 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.898 -7.124 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -2.431 -7.878 0.884 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.120 -10.115 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 133 0.481 -9.796 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 133 1.065 -9.084 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 133 0.402 -8.035 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -1.925 -9.946 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -2.155 -8.194 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -3.124 -9.344 2.615 1.00 0.00 H new ATOM 1749 N PHE A 134 -0.626 -10.652 -1.123 1.00 0.00 N ATOM 1750 CA PHE A 134 -1.045 -12.040 -1.447 1.00 0.00 C ATOM 1751 C PHE A 134 -1.470 -12.856 -0.169 1.00 0.00 C ATOM 1752 O PHE A 134 -2.543 -13.458 -0.138 1.00 0.00 O ATOM 1753 CB PHE A 134 0.088 -12.716 -2.274 1.00 0.00 C ATOM 1754 CG PHE A 134 0.490 -11.990 -3.573 1.00 0.00 C ATOM 1755 CD1 PHE A 134 -0.390 -11.903 -4.657 1.00 0.00 C ATOM 1756 CD2 PHE A 134 1.683 -11.260 -3.600 1.00 0.00 C ATOM 1757 CE1 PHE A 134 -0.082 -11.095 -5.747 1.00 0.00 C ATOM 1758 CE2 PHE A 134 1.997 -10.468 -4.696 1.00 0.00 C ATOM 1759 CZ PHE A 134 1.111 -10.384 -5.769 1.00 0.00 C ATOM 0 H PHE A 134 0.380 -10.546 -0.995 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.949 -12.018 -2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 134 0.971 -12.806 -1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -0.227 -13.728 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.312 -12.465 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 134 2.364 -11.313 -2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -0.770 -11.021 -6.576 1.00 0.00 H new ATOM 0 HE2 PHE A 134 2.926 -9.918 -4.717 1.00 0.00 H new ATOM 0 HZ PHE A 134 1.353 -9.764 -6.620 1.00 0.00 H new ATOM 1769 N GLU A 135 -0.616 -12.884 0.870 1.00 0.00 N ATOM 1770 CA GLU A 135 -0.849 -13.590 2.162 1.00 0.00 C ATOM 1771 C GLU A 135 0.179 -13.044 3.223 1.00 0.00 C ATOM 1772 O GLU A 135 1.263 -12.533 2.910 1.00 0.00 O ATOM 1773 CB GLU A 135 -0.714 -15.129 1.934 1.00 0.00 C ATOM 1774 CG GLU A 135 -1.101 -16.032 3.136 1.00 0.00 C ATOM 1775 CD GLU A 135 -1.084 -17.525 2.827 1.00 0.00 C ATOM 1776 OE1 GLU A 135 -2.093 -18.203 2.674 1.00 0.00 O ATOM 1777 OE2 GLU A 135 0.178 -18.026 2.753 1.00 0.00 O ATOM 0 H GLU A 135 0.284 -12.405 0.842 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.854 -13.405 2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.335 -15.406 1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.318 -15.346 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -0.415 -15.835 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.098 -15.755 3.478 1.00 0.00 H new ATOM 1785 N PHE A 136 -0.190 -13.147 4.502 1.00 0.00 N ATOM 1786 CA PHE A 136 0.669 -12.735 5.649 1.00 0.00 C ATOM 1787 C PHE A 136 0.735 -13.882 6.717 1.00 0.00 C ATOM 1788 O PHE A 136 1.253 -14.971 6.460 1.00 0.00 O ATOM 1789 CB PHE A 136 0.293 -11.285 6.134 1.00 0.00 C ATOM 1790 CG PHE A 136 -1.156 -10.858 6.468 1.00 0.00 C ATOM 1791 CD1 PHE A 136 -2.136 -11.831 6.693 1.00 0.00 C ATOM 1792 CD2 PHE A 136 -1.559 -9.514 6.354 1.00 0.00 C ATOM 1793 CE1 PHE A 136 -3.474 -11.524 6.659 1.00 0.00 C ATOM 1794 CE2 PHE A 136 -2.920 -9.210 6.289 1.00 0.00 C ATOM 1795 CZ PHE A 136 -3.857 -10.239 6.354 1.00 0.00 C ATOM 0 H PHE A 136 -1.096 -13.519 4.788 1.00 0.00 H new ATOM 0 HA PHE A 136 1.711 -12.618 5.353 1.00 0.00 H new ATOM 0 HB2 PHE A 136 0.886 -11.095 7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.648 -10.600 5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -1.833 -12.847 6.898 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.822 -8.725 6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -4.215 -12.281 6.869 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -3.244 -8.185 6.189 1.00 0.00 H new ATOM 0 HZ PHE A 136 -4.898 -10.025 6.162 1.00 0.00 H new ATOM 1805 N LYS A 137 0.202 -13.627 7.913 1.00 0.00 N ATOM 1806 CA LYS A 137 0.096 -14.600 9.017 1.00 0.00 C ATOM 1807 C LYS A 137 -1.432 -14.658 9.332 1.00 0.00 C ATOM 1808 O LYS A 137 -2.017 -13.630 9.681 1.00 0.00 O ATOM 1809 CB LYS A 137 0.987 -14.044 10.162 1.00 0.00 C ATOM 1810 CG LYS A 137 0.843 -14.733 11.531 1.00 0.00 C ATOM 1811 CD LYS A 137 1.359 -16.188 11.591 1.00 0.00 C ATOM 1812 CE LYS A 137 0.904 -16.934 12.857 1.00 0.00 C ATOM 1813 NZ LYS A 137 -0.504 -17.371 12.725 1.00 0.00 N ATOM 0 H LYS A 137 -0.181 -12.713 8.154 1.00 0.00 H new ATOM 0 HA LYS A 137 0.441 -15.615 8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 137 2.029 -14.115 9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 137 0.763 -12.984 10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 137 1.378 -14.143 12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -0.209 -14.725 11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 137 1.009 -16.729 10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 137 2.448 -16.184 11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 137 1.545 -17.799 13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 137 1.009 -16.285 13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -0.794 -17.873 13.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -1.114 -16.540 12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -0.595 -18.008 11.908 1.00 0.00 H new ATOM 1826 N GLY A 138 -2.095 -15.824 9.202 1.00 0.00 N ATOM 1827 CA GLY A 138 -3.569 -15.929 9.457 1.00 0.00 C ATOM 1828 C GLY A 138 -4.152 -15.426 10.814 1.00 0.00 C ATOM 1829 O GLY A 138 -5.239 -14.850 10.780 1.00 0.00 O ATOM 0 H GLY A 138 -1.653 -16.701 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.078 -15.385 8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -3.845 -16.978 9.352 1.00 0.00 H new