USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=26 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 87 LYS NZ :NH3+ -116:sc= 0.686 (180deg=0.019) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 55 HIS : no HE2:sc= -1.53 K(o=-0.091,f=-6.9!) USER MOD Set 2.2: A 69 SER OG : rot -60:sc= 1.44 USER MOD Set 3.1: A 34 LYS NZ :NH3+ 162:sc= 0.052 (180deg=0) USER MOD Set 3.2: A 95 THR OG1 : rot -72:sc= 0.614 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -34:sc= 0.795 USER MOD Single : A 43 THR OG1 : rot 170:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 113:sc= 1.27 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0.00335 (180deg=0.00335) USER MOD Single : A 68 SER OG : rot 41:sc= 0.494 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0827) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.24) USER MOD Single : A 96 MET CE :methyl -175:sc= -1.9 (180deg=-2.1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 175:sc= -4.46! USER MOD Single : A 105 THR OG1 : rot -176:sc= -4.55 USER MOD Single : A 106 CYS SG : rot 81:sc= -2.75! USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 0.077 (180deg=0.0685) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -179:sc= -0.0451 (180deg=-0.0506) 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 -1.828 11.943 7.563 1.00 0.00 N ATOM 149 CA GLY A 31 -0.586 11.497 6.843 1.00 0.00 C ATOM 150 C GLY A 31 -0.587 10.538 5.664 1.00 0.00 C ATOM 151 O GLY A 31 0.442 10.423 5.006 1.00 0.00 O ATOM 0 HA2 GLY A 31 -0.092 12.405 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.060 11.050 7.599 1.00 0.00 H new ATOM 155 N VAL A 32 -1.686 9.850 5.400 1.00 0.00 N ATOM 156 CA VAL A 32 -1.752 8.830 4.274 1.00 0.00 C ATOM 157 C VAL A 32 -3.187 8.374 3.865 1.00 0.00 C ATOM 158 O VAL A 32 -4.134 8.730 4.556 1.00 0.00 O ATOM 159 CB VAL A 32 -0.874 7.567 4.653 1.00 0.00 C ATOM 160 CG1 VAL A 32 -1.518 6.738 5.759 1.00 0.00 C ATOM 161 CG2 VAL A 32 -0.506 6.514 3.580 1.00 0.00 C ATOM 0 H VAL A 32 -2.556 9.951 5.923 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.358 9.342 3.396 1.00 0.00 H new ATOM 0 HB VAL A 32 0.043 8.097 4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.884 5.882 5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.636 7.352 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.496 6.387 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.098 5.728 4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.417 6.080 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.061 6.992 2.781 1.00 0.00 H new ATOM 171 N LEU A 33 -3.395 7.726 2.695 1.00 0.00 N ATOM 172 CA LEU A 33 -4.679 6.977 2.418 1.00 0.00 C ATOM 173 C LEU A 33 -4.603 5.975 1.227 1.00 0.00 C ATOM 174 O LEU A 33 -3.480 5.637 0.824 1.00 0.00 O ATOM 175 CB LEU A 33 -6.076 7.592 2.810 1.00 0.00 C ATOM 176 CG LEU A 33 -6.963 6.809 3.842 1.00 0.00 C ATOM 177 CD1 LEU A 33 -6.245 6.153 5.044 1.00 0.00 C ATOM 178 CD2 LEU A 33 -8.049 7.720 4.442 1.00 0.00 C ATOM 0 H LEU A 33 -2.718 7.696 1.933 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.709 6.335 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.901 8.590 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.656 7.713 1.895 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.355 6.001 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.977 5.647 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.516 5.428 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.735 6.920 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.648 7.152 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.578 8.559 4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.691 8.095 3.645 1.00 0.00 H new ATOM 190 N LYS A 34 -5.723 5.406 0.710 1.00 0.00 N ATOM 191 CA LYS A 34 -5.598 4.334 -0.324 1.00 0.00 C ATOM 192 C LYS A 34 -6.740 4.237 -1.394 1.00 0.00 C ATOM 193 O LYS A 34 -7.915 4.517 -1.137 1.00 0.00 O ATOM 194 CB LYS A 34 -5.231 2.997 0.392 1.00 0.00 C ATOM 195 CG LYS A 34 -6.335 2.223 1.150 1.00 0.00 C ATOM 196 CD LYS A 34 -5.776 0.916 1.758 1.00 0.00 C ATOM 197 CE LYS A 34 -6.817 0.033 2.463 1.00 0.00 C ATOM 198 NZ LYS A 34 -7.200 0.577 3.782 1.00 0.00 N ATOM 0 H LYS A 34 -6.678 5.652 0.972 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.781 4.619 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.815 2.325 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.434 3.213 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.746 2.850 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.154 1.991 0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.306 0.335 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.993 1.171 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.704 -0.054 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.415 -0.972 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.097 0.147 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.457 0.359 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.316 1.608 3.712 1.00 0.00 H new ATOM 211 N VAL A 35 -6.361 3.766 -2.598 1.00 0.00 N ATOM 212 CA VAL A 35 -7.277 3.713 -3.792 1.00 0.00 C ATOM 213 C VAL A 35 -7.606 2.246 -4.240 1.00 0.00 C ATOM 214 O VAL A 35 -6.892 1.746 -5.116 1.00 0.00 O ATOM 215 CB VAL A 35 -6.682 4.546 -4.999 1.00 0.00 C ATOM 216 CG1 VAL A 35 -7.759 4.920 -6.043 1.00 0.00 C ATOM 217 CG2 VAL A 35 -5.897 5.827 -4.668 1.00 0.00 C ATOM 0 H VAL A 35 -5.424 3.411 -2.787 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.218 4.167 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.954 3.836 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.300 5.491 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.204 4.011 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.533 5.522 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.551 6.291 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.544 6.522 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.039 5.577 -4.044 1.00 0.00 H new ATOM 227 N ILE A 36 -8.657 1.582 -3.676 1.00 0.00 N ATOM 228 CA ILE A 36 -9.026 0.136 -3.998 1.00 0.00 C ATOM 229 C ILE A 36 -9.007 -0.293 -5.520 1.00 0.00 C ATOM 230 O ILE A 36 -9.740 0.249 -6.348 1.00 0.00 O ATOM 231 CB ILE A 36 -10.205 -0.516 -3.144 1.00 0.00 C ATOM 232 CG1 ILE A 36 -9.679 -1.156 -1.810 1.00 0.00 C ATOM 233 CG2 ILE A 36 -11.061 -1.612 -3.843 1.00 0.00 C ATOM 234 CD1 ILE A 36 -8.857 -2.472 -1.950 1.00 0.00 C ATOM 0 H ILE A 36 -9.277 2.013 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.136 -0.354 -3.602 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.849 0.348 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.060 -0.419 -1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.535 -1.355 -1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.826 -1.971 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.539 -1.191 -4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.419 -2.442 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.550 -2.816 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.472 -3.236 -2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.973 -2.286 -2.560 1.00 0.00 H new ATOM 246 N LYS A 37 -8.178 -1.312 -5.837 1.00 0.00 N ATOM 247 CA LYS A 37 -8.082 -1.912 -7.196 1.00 0.00 C ATOM 248 C LYS A 37 -8.756 -3.325 -7.211 1.00 0.00 C ATOM 249 O LYS A 37 -9.692 -3.578 -7.972 1.00 0.00 O ATOM 250 CB LYS A 37 -6.573 -1.899 -7.582 1.00 0.00 C ATOM 251 CG LYS A 37 -6.208 -2.591 -8.911 1.00 0.00 C ATOM 252 CD LYS A 37 -4.711 -2.442 -9.262 1.00 0.00 C ATOM 253 CE LYS A 37 -4.267 -3.237 -10.501 1.00 0.00 C ATOM 254 NZ LYS A 37 -4.774 -2.631 -11.749 1.00 0.00 N ATOM 0 H LYS A 37 -7.552 -1.746 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.628 -1.346 -7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.240 -0.862 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.009 -2.376 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.460 -3.650 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.811 -2.168 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.492 -1.387 -9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.116 -2.763 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.178 -3.281 -10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.626 -4.263 -10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.455 -3.194 -12.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.814 -2.611 -11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.411 -1.660 -11.836 1.00 0.00 H new ATOM 267 N ARG A 38 -8.256 -4.240 -6.370 1.00 0.00 N ATOM 268 CA ARG A 38 -8.737 -5.632 -6.252 1.00 0.00 C ATOM 269 C ARG A 38 -8.643 -5.916 -4.704 1.00 0.00 C ATOM 270 O ARG A 38 -7.525 -6.013 -4.189 1.00 0.00 O ATOM 271 CB ARG A 38 -7.800 -6.561 -7.075 1.00 0.00 C ATOM 272 CG ARG A 38 -7.943 -6.480 -8.616 1.00 0.00 C ATOM 273 CD ARG A 38 -6.803 -7.222 -9.319 1.00 0.00 C ATOM 274 NE ARG A 38 -6.869 -6.980 -10.780 1.00 0.00 N ATOM 275 CZ ARG A 38 -5.969 -7.394 -11.662 1.00 0.00 C ATOM 276 NH1 ARG A 38 -4.914 -8.095 -11.361 1.00 0.00 N ATOM 277 NH2 ARG A 38 -6.161 -7.078 -12.893 1.00 0.00 N ATOM 0 H ARG A 38 -7.486 -4.032 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.745 -5.800 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.768 -6.327 -6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.981 -7.591 -6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.899 -6.908 -8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.948 -5.436 -8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.843 -6.885 -8.929 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.873 -8.290 -9.115 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.668 -6.455 -11.134 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.738 -8.361 -10.392 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.264 -8.379 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.980 -6.530 -13.157 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.494 -7.375 -13.606 1.00 0.00 H new ATOM 290 N GLU A 39 -9.739 -5.990 -3.915 1.00 0.00 N ATOM 291 CA GLU A 39 -9.650 -6.282 -2.436 1.00 0.00 C ATOM 292 C GLU A 39 -8.802 -7.556 -2.020 1.00 0.00 C ATOM 293 O GLU A 39 -7.859 -7.471 -1.234 1.00 0.00 O ATOM 294 CB GLU A 39 -11.081 -6.395 -1.819 1.00 0.00 C ATOM 295 CG GLU A 39 -12.073 -5.217 -1.969 1.00 0.00 C ATOM 296 CD GLU A 39 -12.922 -5.234 -3.241 1.00 0.00 C ATOM 297 OE1 GLU A 39 -13.881 -5.980 -3.398 1.00 0.00 O ATOM 298 OE2 GLU A 39 -12.484 -4.342 -4.173 1.00 0.00 O ATOM 0 H GLU A 39 -10.691 -5.856 -4.257 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.101 -5.431 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.554 -7.277 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.962 -6.588 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.740 -5.214 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.510 -4.284 -1.940 1.00 0.00 H new ATOM 306 N GLY A 40 -9.188 -8.717 -2.565 1.00 0.00 N ATOM 307 CA GLY A 40 -8.575 -10.039 -2.333 1.00 0.00 C ATOM 308 C GLY A 40 -9.582 -11.195 -2.174 1.00 0.00 C ATOM 309 O GLY A 40 -10.728 -11.120 -2.624 1.00 0.00 O ATOM 0 H GLY A 40 -9.975 -8.766 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.909 -10.267 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.958 -9.986 -1.436 1.00 0.00 H new ATOM 313 N THR A 41 -9.145 -12.290 -1.545 1.00 0.00 N ATOM 314 CA THR A 41 -10.013 -13.502 -1.342 1.00 0.00 C ATOM 315 C THR A 41 -11.086 -13.455 -0.187 1.00 0.00 C ATOM 316 O THR A 41 -11.761 -14.463 0.043 1.00 0.00 O ATOM 317 CB THR A 41 -9.115 -14.779 -1.280 1.00 0.00 C ATOM 318 OG1 THR A 41 -9.932 -15.941 -1.368 1.00 0.00 O ATOM 319 CG2 THR A 41 -8.260 -14.954 -0.017 1.00 0.00 C ATOM 0 H THR A 41 -8.204 -12.383 -1.162 1.00 0.00 H new ATOM 0 HA THR A 41 -10.661 -13.527 -2.218 1.00 0.00 H new ATOM 0 HB THR A 41 -8.429 -14.648 -2.116 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.785 -15.776 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.683 -15.875 -0.093 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.581 -14.107 0.083 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.909 -15.004 0.858 1.00 0.00 H new ATOM 327 N GLY A 42 -11.241 -12.336 0.542 1.00 0.00 N ATOM 328 CA GLY A 42 -12.245 -12.201 1.637 1.00 0.00 C ATOM 329 C GLY A 42 -12.135 -13.099 2.890 1.00 0.00 C ATOM 330 O GLY A 42 -13.148 -13.608 3.367 1.00 0.00 O ATOM 0 H GLY A 42 -10.680 -11.496 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.221 -11.165 1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.229 -12.371 1.200 1.00 0.00 H new ATOM 334 N THR A 43 -10.925 -13.242 3.440 1.00 0.00 N ATOM 335 CA THR A 43 -10.666 -14.102 4.633 1.00 0.00 C ATOM 336 C THR A 43 -10.221 -13.298 5.893 1.00 0.00 C ATOM 337 O THR A 43 -10.964 -13.265 6.877 1.00 0.00 O ATOM 338 CB THR A 43 -9.645 -15.223 4.273 1.00 0.00 C ATOM 339 OG1 THR A 43 -8.414 -14.948 3.619 1.00 0.00 O ATOM 340 CG2 THR A 43 -10.252 -16.342 3.396 1.00 0.00 C ATOM 0 H THR A 43 -10.092 -12.774 3.084 1.00 0.00 H new ATOM 0 HA THR A 43 -11.615 -14.562 4.908 1.00 0.00 H new ATOM 0 HB THR A 43 -9.409 -15.469 5.308 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.852 -15.751 3.629 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.489 -17.090 3.182 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.081 -16.811 3.926 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.614 -15.915 2.461 1.00 0.00 H new ATOM 348 N GLU A 44 -9.033 -12.658 5.900 1.00 0.00 N ATOM 349 CA GLU A 44 -8.524 -11.915 7.091 1.00 0.00 C ATOM 350 C GLU A 44 -7.657 -10.640 6.743 1.00 0.00 C ATOM 351 O GLU A 44 -7.271 -10.379 5.594 1.00 0.00 O ATOM 352 CB GLU A 44 -7.817 -12.948 8.032 1.00 0.00 C ATOM 353 CG GLU A 44 -6.448 -13.437 7.510 1.00 0.00 C ATOM 354 CD GLU A 44 -5.705 -14.469 8.346 1.00 0.00 C ATOM 355 OE1 GLU A 44 -5.254 -14.249 9.464 1.00 0.00 O ATOM 356 OE2 GLU A 44 -5.549 -15.644 7.679 1.00 0.00 O ATOM 0 H GLU A 44 -8.402 -12.636 5.099 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.364 -11.468 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.680 -12.495 9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.472 -13.809 8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.597 -13.855 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.801 -12.567 7.397 1.00 0.00 H new ATOM 364 N THR A 45 -7.324 -9.892 7.809 1.00 0.00 N ATOM 365 CA THR A 45 -6.542 -8.614 7.748 1.00 0.00 C ATOM 366 C THR A 45 -5.184 -8.707 8.552 1.00 0.00 C ATOM 367 O THR A 45 -5.167 -9.384 9.589 1.00 0.00 O ATOM 368 CB THR A 45 -7.374 -7.397 8.267 1.00 0.00 C ATOM 369 OG1 THR A 45 -7.775 -7.579 9.623 1.00 0.00 O ATOM 370 CG2 THR A 45 -8.640 -7.072 7.457 1.00 0.00 C ATOM 0 H THR A 45 -7.588 -10.150 8.760 1.00 0.00 H new ATOM 0 HA THR A 45 -6.309 -8.456 6.695 1.00 0.00 H new ATOM 0 HB THR A 45 -6.685 -6.560 8.156 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.292 -6.801 9.919 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.144 -6.213 7.899 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.364 -6.841 6.428 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.310 -7.932 7.469 1.00 0.00 H new ATOM 378 N PRO A 46 -4.050 -8.035 8.184 1.00 0.00 N ATOM 379 CA PRO A 46 -2.755 -8.169 8.916 1.00 0.00 C ATOM 380 C PRO A 46 -2.659 -7.587 10.384 1.00 0.00 C ATOM 381 O PRO A 46 -3.167 -6.485 10.622 1.00 0.00 O ATOM 382 CB PRO A 46 -1.777 -7.379 8.026 1.00 0.00 C ATOM 383 CG PRO A 46 -2.400 -7.415 6.646 1.00 0.00 C ATOM 384 CD PRO A 46 -3.896 -7.316 6.903 1.00 0.00 C ATOM 0 HA PRO A 46 -2.567 -9.232 9.069 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.658 -6.355 8.380 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.786 -7.834 8.025 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.047 -6.588 6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.147 -8.336 6.120 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.227 -6.280 6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.476 -7.780 6.105 1.00 0.00 H new ATOM 392 N MET A 47 -1.966 -8.229 11.358 1.00 0.00 N ATOM 393 CA MET A 47 -1.773 -7.652 12.727 1.00 0.00 C ATOM 394 C MET A 47 -0.321 -7.075 12.948 1.00 0.00 C ATOM 395 O MET A 47 0.601 -7.336 12.162 1.00 0.00 O ATOM 396 CB MET A 47 -2.140 -8.759 13.761 1.00 0.00 C ATOM 397 CG MET A 47 -1.249 -10.024 13.789 1.00 0.00 C ATOM 398 SD MET A 47 -1.413 -10.846 15.387 1.00 0.00 S ATOM 399 CE MET A 47 0.288 -11.379 15.646 1.00 0.00 C ATOM 0 H MET A 47 -1.531 -9.142 11.229 1.00 0.00 H new ATOM 0 HA MET A 47 -2.429 -6.791 12.857 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.123 -8.312 14.755 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.166 -9.073 13.570 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.540 -10.703 12.988 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.208 -9.752 13.614 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.363 -11.908 16.596 1.00 0.00 H new ATOM 0 HE2 MET A 47 0.588 -12.044 14.836 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.944 -10.508 15.663 1.00 0.00 H new ATOM 409 N ILE A 48 -0.061 -6.300 14.032 1.00 0.00 N ATOM 410 CA ILE A 48 1.323 -5.807 14.337 1.00 0.00 C ATOM 411 C ILE A 48 2.263 -7.052 14.615 1.00 0.00 C ATOM 412 O ILE A 48 1.907 -8.007 15.315 1.00 0.00 O ATOM 413 CB ILE A 48 1.356 -4.647 15.404 1.00 0.00 C ATOM 414 CG1 ILE A 48 2.415 -3.518 15.187 1.00 0.00 C ATOM 415 CG2 ILE A 48 1.580 -5.171 16.838 1.00 0.00 C ATOM 416 CD1 ILE A 48 2.440 -2.814 13.817 1.00 0.00 C ATOM 0 H ILE A 48 -0.770 -6.003 14.702 1.00 0.00 H new ATOM 0 HA ILE A 48 1.737 -5.299 13.466 1.00 0.00 H new ATOM 0 HB ILE A 48 0.367 -4.211 15.264 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.256 -2.758 15.952 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.402 -3.946 15.362 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.594 -4.332 17.534 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.772 -5.852 17.107 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.532 -5.700 16.888 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.223 -2.056 13.812 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.639 -3.547 13.035 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.476 -2.340 13.634 1.00 0.00 H new ATOM 428 N GLY A 49 3.447 -7.027 14.022 1.00 0.00 N ATOM 429 CA GLY A 49 4.391 -8.181 14.032 1.00 0.00 C ATOM 430 C GLY A 49 4.064 -9.382 13.088 1.00 0.00 C ATOM 431 O GLY A 49 4.671 -10.442 13.256 1.00 0.00 O ATOM 0 H GLY A 49 3.799 -6.215 13.515 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.382 -7.808 13.773 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.450 -8.560 15.052 1.00 0.00 H new ATOM 435 N ASP A 50 3.160 -9.243 12.094 1.00 0.00 N ATOM 436 CA ASP A 50 2.783 -10.345 11.163 1.00 0.00 C ATOM 437 C ASP A 50 3.812 -10.459 10.001 1.00 0.00 C ATOM 438 O ASP A 50 4.200 -9.440 9.421 1.00 0.00 O ATOM 439 CB ASP A 50 1.375 -10.017 10.592 1.00 0.00 C ATOM 440 CG ASP A 50 0.473 -11.140 10.104 1.00 0.00 C ATOM 441 OD1 ASP A 50 -0.749 -11.089 10.195 1.00 0.00 O ATOM 442 OD2 ASP A 50 1.148 -12.173 9.530 1.00 0.00 O ATOM 0 H ASP A 50 2.668 -8.369 11.909 1.00 0.00 H new ATOM 0 HA ASP A 50 2.774 -11.297 11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.830 -9.476 11.365 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.515 -9.328 9.759 1.00 0.00 H new ATOM 448 N ARG A 51 4.173 -11.685 9.600 1.00 0.00 N ATOM 449 CA ARG A 51 5.158 -11.897 8.495 1.00 0.00 C ATOM 450 C ARG A 51 4.381 -11.788 7.151 1.00 0.00 C ATOM 451 O ARG A 51 3.515 -12.603 6.853 1.00 0.00 O ATOM 452 CB ARG A 51 5.913 -13.217 8.791 1.00 0.00 C ATOM 453 CG ARG A 51 7.115 -13.540 7.868 1.00 0.00 C ATOM 454 CD ARG A 51 6.773 -14.358 6.608 1.00 0.00 C ATOM 455 NE ARG A 51 6.510 -15.788 6.942 1.00 0.00 N ATOM 456 CZ ARG A 51 5.316 -16.361 7.049 1.00 0.00 C ATOM 457 NH1 ARG A 51 4.186 -15.747 6.867 1.00 0.00 N ATOM 458 NH2 ARG A 51 5.287 -17.603 7.373 1.00 0.00 N ATOM 0 H ARG A 51 3.811 -12.546 10.010 1.00 0.00 H new ATOM 0 HA ARG A 51 5.944 -11.146 8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.271 -13.184 9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.201 -14.040 8.727 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.577 -12.603 7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.860 -14.087 8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.897 -13.930 6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.596 -14.294 5.897 1.00 0.00 H new ATOM 0 HE ARG A 51 7.323 -16.382 7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.177 -14.756 6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.307 -16.255 6.967 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.158 -18.108 7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.393 -18.085 7.467 1.00 0.00 H new ATOM 471 N VAL A 52 4.700 -10.742 6.385 1.00 0.00 N ATOM 472 CA VAL A 52 3.901 -10.237 5.246 1.00 0.00 C ATOM 473 C VAL A 52 4.666 -10.314 3.884 1.00 0.00 C ATOM 474 O VAL A 52 5.832 -9.921 3.790 1.00 0.00 O ATOM 475 CB VAL A 52 3.643 -8.772 5.822 1.00 0.00 C ATOM 476 CG1 VAL A 52 3.536 -7.598 4.852 1.00 0.00 C ATOM 477 CG2 VAL A 52 2.439 -8.734 6.790 1.00 0.00 C ATOM 0 H VAL A 52 5.549 -10.199 6.539 1.00 0.00 H new ATOM 0 HA VAL A 52 2.999 -10.786 4.976 1.00 0.00 H new ATOM 0 HB VAL A 52 4.591 -8.600 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.360 -6.679 5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.464 -7.507 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.707 -7.768 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.300 -7.717 7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.540 -9.056 6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.627 -9.402 7.631 1.00 0.00 H new ATOM 487 N PHE A 53 3.983 -10.756 2.813 1.00 0.00 N ATOM 488 CA PHE A 53 4.556 -10.897 1.461 1.00 0.00 C ATOM 489 C PHE A 53 3.727 -9.985 0.491 1.00 0.00 C ATOM 490 O PHE A 53 2.584 -10.269 0.115 1.00 0.00 O ATOM 491 CB PHE A 53 4.508 -12.390 1.053 1.00 0.00 C ATOM 492 CG PHE A 53 5.178 -13.452 1.938 1.00 0.00 C ATOM 493 CD1 PHE A 53 6.568 -13.586 1.959 1.00 0.00 C ATOM 494 CD2 PHE A 53 4.389 -14.335 2.686 1.00 0.00 C ATOM 495 CE1 PHE A 53 7.163 -14.611 2.691 1.00 0.00 C ATOM 496 CE2 PHE A 53 4.985 -15.363 3.410 1.00 0.00 C ATOM 497 CZ PHE A 53 6.370 -15.507 3.403 1.00 0.00 C ATOM 0 H PHE A 53 3.002 -11.030 2.863 1.00 0.00 H new ATOM 0 HA PHE A 53 5.599 -10.581 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.458 -12.665 0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.952 -12.469 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.184 -12.892 1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.315 -14.218 2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.238 -14.711 2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.374 -16.049 3.977 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.830 -16.316 3.951 1.00 0.00 H new ATOM 507 N VAL A 54 4.327 -8.853 0.143 1.00 0.00 N ATOM 508 CA VAL A 54 3.746 -7.806 -0.748 1.00 0.00 C ATOM 509 C VAL A 54 4.424 -7.787 -2.135 1.00 0.00 C ATOM 510 O VAL A 54 5.502 -8.334 -2.372 1.00 0.00 O ATOM 511 CB VAL A 54 3.972 -6.367 -0.093 1.00 0.00 C ATOM 512 CG1 VAL A 54 2.931 -6.039 0.960 1.00 0.00 C ATOM 513 CG2 VAL A 54 5.404 -6.057 0.372 1.00 0.00 C ATOM 0 H VAL A 54 5.262 -8.613 0.473 1.00 0.00 H new ATOM 0 HA VAL A 54 2.687 -8.037 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 54 3.825 -5.681 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.131 -5.050 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.940 -6.050 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.974 -6.781 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.439 -5.055 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.707 -6.784 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.083 -6.112 -0.479 1.00 0.00 H new ATOM 523 N HIS A 55 3.766 -7.114 -3.069 1.00 0.00 N ATOM 524 CA HIS A 55 4.464 -6.716 -4.335 1.00 0.00 C ATOM 525 C HIS A 55 4.162 -5.202 -4.515 1.00 0.00 C ATOM 526 O HIS A 55 3.025 -4.763 -4.311 1.00 0.00 O ATOM 527 CB HIS A 55 4.259 -7.616 -5.603 1.00 0.00 C ATOM 528 CG HIS A 55 4.537 -6.942 -6.949 1.00 0.00 C ATOM 529 ND1 HIS A 55 5.678 -6.215 -7.256 1.00 0.00 N ATOM 530 CD2 HIS A 55 3.754 -7.110 -8.068 1.00 0.00 C ATOM 531 CE1 HIS A 55 5.480 -5.985 -8.584 1.00 0.00 C ATOM 532 NE2 HIS A 55 4.292 -6.402 -9.145 1.00 0.00 N ATOM 0 H HIS A 55 2.788 -6.830 -3.003 1.00 0.00 H new ATOM 0 HA HIS A 55 5.533 -6.898 -4.227 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.906 -8.489 -5.514 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.231 -7.980 -5.605 1.00 0.00 H new ATOM 0 HD1 HIS A 55 6.451 -5.931 -6.654 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.853 -7.704 -8.108 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.232 -5.490 -9.180 1.00 0.00 H new ATOM 540 N TYR A 56 5.187 -4.422 -4.920 1.00 0.00 N ATOM 541 CA TYR A 56 4.991 -2.952 -5.113 1.00 0.00 C ATOM 542 C TYR A 56 5.535 -2.306 -6.446 1.00 0.00 C ATOM 543 O TYR A 56 6.585 -2.675 -6.986 1.00 0.00 O ATOM 544 CB TYR A 56 5.473 -2.079 -3.909 1.00 0.00 C ATOM 545 CG TYR A 56 6.950 -1.699 -3.820 1.00 0.00 C ATOM 546 CD1 TYR A 56 7.862 -2.593 -3.282 1.00 0.00 C ATOM 547 CD2 TYR A 56 7.389 -0.451 -4.266 1.00 0.00 C ATOM 548 CE1 TYR A 56 9.192 -2.221 -3.114 1.00 0.00 C ATOM 549 CE2 TYR A 56 8.715 -0.074 -4.083 1.00 0.00 C ATOM 550 CZ TYR A 56 9.615 -0.954 -3.494 1.00 0.00 C ATOM 551 OH TYR A 56 10.915 -0.580 -3.301 1.00 0.00 O ATOM 0 H TYR A 56 6.129 -4.760 -5.116 1.00 0.00 H new ATOM 0 HA TYR A 56 3.904 -2.931 -5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.895 -1.155 -3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.213 -2.608 -2.992 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.539 -3.582 -2.992 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.699 0.222 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.897 -2.919 -2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.046 0.904 -4.399 1.00 0.00 H new ATOM 0 HH TYR A 56 11.354 -0.462 -4.169 1.00 0.00 H new ATOM 561 N THR A 57 4.815 -1.263 -6.874 1.00 0.00 N ATOM 562 CA THR A 57 5.293 -0.237 -7.863 1.00 0.00 C ATOM 563 C THR A 57 5.306 1.103 -7.049 1.00 0.00 C ATOM 564 O THR A 57 4.482 1.292 -6.152 1.00 0.00 O ATOM 565 CB THR A 57 4.444 -0.054 -9.159 1.00 0.00 C ATOM 566 OG1 THR A 57 4.305 -1.301 -9.827 1.00 0.00 O ATOM 567 CG2 THR A 57 5.104 0.920 -10.159 1.00 0.00 C ATOM 0 H THR A 57 3.864 -1.087 -6.549 1.00 0.00 H new ATOM 0 HA THR A 57 6.257 -0.564 -8.254 1.00 0.00 H new ATOM 0 HB THR A 57 3.481 0.347 -8.843 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.770 -1.179 -10.639 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.475 1.014 -11.044 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.221 1.898 -9.691 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.083 0.537 -10.448 1.00 0.00 H new ATOM 575 N GLY A 58 6.209 2.050 -7.312 1.00 0.00 N ATOM 576 CA GLY A 58 6.220 3.335 -6.574 1.00 0.00 C ATOM 577 C GLY A 58 6.783 4.571 -7.311 1.00 0.00 C ATOM 578 O GLY A 58 7.701 4.516 -8.131 1.00 0.00 O ATOM 0 H GLY A 58 6.938 1.963 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.197 3.559 -6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.798 3.195 -5.661 1.00 0.00 H new ATOM 582 N TRP A 59 6.149 5.695 -6.976 1.00 0.00 N ATOM 583 CA TRP A 59 6.340 7.023 -7.583 1.00 0.00 C ATOM 584 C TRP A 59 6.464 8.190 -6.557 1.00 0.00 C ATOM 585 O TRP A 59 6.004 8.122 -5.414 1.00 0.00 O ATOM 586 CB TRP A 59 5.143 7.404 -8.523 1.00 0.00 C ATOM 587 CG TRP A 59 4.529 6.337 -9.456 1.00 0.00 C ATOM 588 CD1 TRP A 59 4.846 6.378 -10.805 1.00 0.00 C ATOM 589 CD2 TRP A 59 3.705 5.217 -9.306 1.00 0.00 C ATOM 590 NE1 TRP A 59 4.361 5.275 -11.523 1.00 0.00 N ATOM 591 CE2 TRP A 59 3.651 4.575 -10.575 1.00 0.00 C ATOM 592 CE3 TRP A 59 2.973 4.667 -8.207 1.00 0.00 C ATOM 593 CZ2 TRP A 59 2.935 3.376 -10.734 1.00 0.00 C ATOM 594 CZ3 TRP A 59 2.182 3.541 -8.442 1.00 0.00 C ATOM 595 CH2 TRP A 59 2.177 2.896 -9.676 1.00 0.00 C ATOM 0 H TRP A 59 5.449 5.710 -6.234 1.00 0.00 H new ATOM 0 HA TRP A 59 7.279 6.919 -8.127 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.341 7.783 -7.890 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.473 8.233 -9.150 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.410 7.180 -11.258 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.501 5.047 -12.507 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.031 5.110 -7.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.974 2.835 -11.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.558 3.161 -7.647 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.575 2.010 -9.811 1.00 0.00 H new ATOM 606 N LEU A 60 7.080 9.295 -6.993 1.00 0.00 N ATOM 607 CA LEU A 60 7.085 10.561 -6.227 1.00 0.00 C ATOM 608 C LEU A 60 5.950 11.500 -6.734 1.00 0.00 C ATOM 609 O LEU A 60 5.366 11.285 -7.802 1.00 0.00 O ATOM 610 CB LEU A 60 8.505 11.158 -6.272 1.00 0.00 C ATOM 611 CG LEU A 60 9.107 11.901 -7.496 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.383 13.380 -7.161 1.00 0.00 C ATOM 613 CD2 LEU A 60 10.459 11.270 -7.887 1.00 0.00 C ATOM 0 H LEU A 60 7.586 9.344 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 60 6.856 10.399 -5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.567 11.854 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.186 10.335 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 60 8.385 11.823 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.804 13.878 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.451 13.869 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.090 13.440 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.872 11.798 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.151 11.344 -7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.310 10.221 -8.143 1.00 0.00 H new ATOM 625 N LEU A 61 5.638 12.576 -5.998 1.00 0.00 N ATOM 626 CA LEU A 61 4.576 13.538 -6.405 1.00 0.00 C ATOM 627 C LEU A 61 4.819 14.287 -7.755 1.00 0.00 C ATOM 628 O LEU A 61 3.843 14.670 -8.405 1.00 0.00 O ATOM 629 CB LEU A 61 4.188 14.399 -5.164 1.00 0.00 C ATOM 630 CG LEU A 61 3.458 15.753 -5.398 1.00 0.00 C ATOM 631 CD1 LEU A 61 2.511 16.143 -4.252 1.00 0.00 C ATOM 632 CD2 LEU A 61 4.492 16.878 -5.591 1.00 0.00 C ATOM 0 H LEU A 61 6.098 12.811 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 61 3.685 12.984 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.554 13.788 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.101 14.607 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 61 2.849 15.621 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.036 17.097 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.746 15.375 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.079 16.234 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.975 17.823 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.116 16.955 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.118 16.653 -6.455 1.00 0.00 H new ATOM 644 N ASP A 62 6.076 14.468 -8.211 1.00 0.00 N ATOM 645 CA ASP A 62 6.308 14.950 -9.609 1.00 0.00 C ATOM 646 C ASP A 62 5.893 13.873 -10.710 1.00 0.00 C ATOM 647 O ASP A 62 5.990 14.168 -11.903 1.00 0.00 O ATOM 648 CB ASP A 62 7.799 15.366 -9.715 1.00 0.00 C ATOM 649 CG ASP A 62 8.159 16.415 -10.769 1.00 0.00 C ATOM 650 OD1 ASP A 62 8.768 17.442 -10.491 1.00 0.00 O ATOM 651 OD2 ASP A 62 7.762 16.080 -12.031 1.00 0.00 O ATOM 0 H ASP A 62 6.921 14.299 -7.666 1.00 0.00 H new ATOM 0 HA ASP A 62 5.667 15.807 -9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.115 15.743 -8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.386 14.470 -9.916 1.00 0.00 H new ATOM 657 N GLY A 63 5.461 12.642 -10.336 1.00 0.00 N ATOM 658 CA GLY A 63 5.063 11.569 -11.302 1.00 0.00 C ATOM 659 C GLY A 63 6.241 10.837 -11.951 1.00 0.00 C ATOM 660 O GLY A 63 6.241 10.582 -13.154 1.00 0.00 O ATOM 0 H GLY A 63 5.376 12.359 -9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.440 10.841 -10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.449 12.012 -12.086 1.00 0.00 H new ATOM 664 N THR A 64 7.238 10.489 -11.130 1.00 0.00 N ATOM 665 CA THR A 64 8.458 9.797 -11.611 1.00 0.00 C ATOM 666 C THR A 64 8.545 8.437 -10.864 1.00 0.00 C ATOM 667 O THR A 64 8.620 8.381 -9.630 1.00 0.00 O ATOM 668 CB THR A 64 9.647 10.772 -11.414 1.00 0.00 C ATOM 669 OG1 THR A 64 9.510 11.891 -12.286 1.00 0.00 O ATOM 670 CG2 THR A 64 11.013 10.165 -11.716 1.00 0.00 C ATOM 0 H THR A 64 7.232 10.672 -10.127 1.00 0.00 H new ATOM 0 HA THR A 64 8.458 9.546 -12.672 1.00 0.00 H new ATOM 0 HB THR A 64 9.610 11.044 -10.359 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.264 12.503 -12.154 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.788 10.914 -11.553 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.187 9.314 -11.058 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.042 9.833 -12.754 1.00 0.00 H new ATOM 678 N LYS A 65 8.521 7.343 -11.639 1.00 0.00 N ATOM 679 CA LYS A 65 8.546 5.967 -11.090 1.00 0.00 C ATOM 680 C LYS A 65 9.992 5.555 -10.588 1.00 0.00 C ATOM 681 O LYS A 65 10.797 5.069 -11.392 1.00 0.00 O ATOM 682 CB LYS A 65 8.046 5.002 -12.200 1.00 0.00 C ATOM 683 CG LYS A 65 7.748 3.562 -11.700 1.00 0.00 C ATOM 684 CD LYS A 65 7.711 2.506 -12.831 1.00 0.00 C ATOM 685 CE LYS A 65 6.663 2.698 -13.944 1.00 0.00 C ATOM 686 NZ LYS A 65 5.299 2.481 -13.431 1.00 0.00 N ATOM 0 H LYS A 65 8.484 7.379 -12.658 1.00 0.00 H new ATOM 0 HA LYS A 65 7.895 5.913 -10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.141 5.415 -12.645 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.796 4.953 -12.989 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.507 3.275 -10.972 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.790 3.558 -11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.696 2.476 -13.297 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.544 1.530 -12.376 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.745 3.704 -14.355 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.863 2.003 -14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.613 2.616 -14.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.217 1.513 -13.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.103 3.161 -12.669 1.00 0.00 H new ATOM 699 N PHE A 66 10.381 5.744 -9.309 1.00 0.00 N ATOM 700 CA PHE A 66 11.691 5.274 -8.789 1.00 0.00 C ATOM 701 C PHE A 66 11.832 3.720 -8.661 1.00 0.00 C ATOM 702 O PHE A 66 12.959 3.230 -8.777 1.00 0.00 O ATOM 703 CB PHE A 66 12.029 6.018 -7.466 1.00 0.00 C ATOM 704 CG PHE A 66 11.037 5.917 -6.290 1.00 0.00 C ATOM 705 CD1 PHE A 66 11.007 4.795 -5.452 1.00 0.00 C ATOM 706 CD2 PHE A 66 10.136 6.960 -6.071 1.00 0.00 C ATOM 707 CE1 PHE A 66 10.085 4.723 -4.408 1.00 0.00 C ATOM 708 CE2 PHE A 66 9.233 6.893 -5.019 1.00 0.00 C ATOM 709 CZ PHE A 66 9.199 5.777 -4.191 1.00 0.00 C ATOM 0 H PHE A 66 9.807 6.220 -8.613 1.00 0.00 H new ATOM 0 HA PHE A 66 12.435 5.530 -9.543 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.995 5.652 -7.117 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.155 7.074 -7.703 1.00 0.00 H new ATOM 0 HD1 PHE A 66 11.700 3.983 -5.615 1.00 0.00 H new ATOM 0 HD2 PHE A 66 10.141 7.822 -6.722 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.058 3.853 -3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.553 7.713 -4.843 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.487 5.727 -3.381 1.00 0.00 H new ATOM 719 N ASP A 67 10.752 2.945 -8.394 1.00 0.00 N ATOM 720 CA ASP A 67 10.872 1.464 -8.316 1.00 0.00 C ATOM 721 C ASP A 67 9.605 0.685 -8.805 1.00 0.00 C ATOM 722 O ASP A 67 8.461 1.140 -8.841 1.00 0.00 O ATOM 723 CB ASP A 67 11.340 1.013 -6.891 1.00 0.00 C ATOM 724 CG ASP A 67 11.974 -0.374 -6.714 1.00 0.00 C ATOM 725 OD1 ASP A 67 12.029 -0.963 -5.641 1.00 0.00 O ATOM 726 OD2 ASP A 67 12.508 -0.862 -7.863 1.00 0.00 O ATOM 0 H ASP A 67 9.812 3.306 -8.233 1.00 0.00 H new ATOM 0 HA ASP A 67 11.647 1.189 -9.031 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.059 1.750 -6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.475 1.065 -6.230 1.00 0.00 H new ATOM 732 N SER A 68 9.905 -0.549 -9.187 1.00 0.00 N ATOM 733 CA SER A 68 8.937 -1.591 -9.605 1.00 0.00 C ATOM 734 C SER A 68 9.635 -2.915 -9.198 1.00 0.00 C ATOM 735 O SER A 68 10.468 -3.442 -9.946 1.00 0.00 O ATOM 736 CB SER A 68 8.575 -1.490 -11.103 1.00 0.00 C ATOM 737 OG SER A 68 9.726 -1.613 -11.943 1.00 0.00 O ATOM 0 H SER A 68 10.869 -0.880 -9.220 1.00 0.00 H new ATOM 0 HA SER A 68 7.962 -1.495 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.857 -2.270 -11.356 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.087 -0.534 -11.294 1.00 0.00 H new ATOM 0 HG SER A 68 10.312 -2.317 -11.595 1.00 0.00 H new ATOM 743 N SER A 69 9.331 -3.406 -7.984 1.00 0.00 N ATOM 744 CA SER A 69 9.993 -4.601 -7.392 1.00 0.00 C ATOM 745 C SER A 69 10.124 -5.873 -8.286 1.00 0.00 C ATOM 746 O SER A 69 11.273 -6.248 -8.546 1.00 0.00 O ATOM 747 CB SER A 69 9.447 -4.862 -5.969 1.00 0.00 C ATOM 748 OG SER A 69 8.032 -5.028 -5.931 1.00 0.00 O ATOM 0 H SER A 69 8.621 -2.992 -7.379 1.00 0.00 H new ATOM 0 HA SER A 69 11.047 -4.333 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.922 -5.755 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.726 -4.030 -5.322 1.00 0.00 H new ATOM 0 HG SER A 69 7.598 -4.219 -6.273 1.00 0.00 H new ATOM 754 N LEU A 70 9.038 -6.493 -8.818 1.00 0.00 N ATOM 755 CA LEU A 70 9.185 -7.727 -9.662 1.00 0.00 C ATOM 756 C LEU A 70 10.204 -7.649 -10.870 1.00 0.00 C ATOM 757 O LEU A 70 10.966 -8.580 -11.133 1.00 0.00 O ATOM 758 CB LEU A 70 7.880 -8.339 -10.217 1.00 0.00 C ATOM 759 CG LEU A 70 6.841 -8.901 -9.224 1.00 0.00 C ATOM 760 CD1 LEU A 70 5.578 -9.204 -10.014 1.00 0.00 C ATOM 761 CD2 LEU A 70 7.116 -10.080 -8.307 1.00 0.00 C ATOM 0 H LEU A 70 8.077 -6.178 -8.688 1.00 0.00 H new ATOM 0 HA LEU A 70 9.596 -8.379 -8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.385 -7.574 -10.815 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.157 -9.145 -10.897 1.00 0.00 H new ATOM 0 HG LEU A 70 6.810 -8.097 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.817 -9.605 -9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.209 -8.288 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.801 -9.937 -10.789 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.232 -10.286 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.359 -10.958 -8.906 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.955 -9.844 -7.652 1.00 0.00 H new ATOM 773 N ASP A 71 10.152 -6.531 -11.605 1.00 0.00 N ATOM 774 CA ASP A 71 10.990 -6.248 -12.801 1.00 0.00 C ATOM 775 C ASP A 71 12.541 -6.146 -12.609 1.00 0.00 C ATOM 776 O ASP A 71 13.279 -6.648 -13.459 1.00 0.00 O ATOM 777 CB ASP A 71 10.467 -4.913 -13.404 1.00 0.00 C ATOM 778 CG ASP A 71 9.070 -4.956 -14.017 1.00 0.00 C ATOM 779 OD1 ASP A 71 8.042 -4.728 -13.387 1.00 0.00 O ATOM 780 OD2 ASP A 71 9.092 -5.281 -15.336 1.00 0.00 O ATOM 0 H ASP A 71 9.510 -5.769 -11.386 1.00 0.00 H new ATOM 0 HA ASP A 71 10.882 -7.122 -13.443 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.475 -4.156 -12.620 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.168 -4.585 -14.171 1.00 0.00 H new ATOM 786 N ARG A 72 13.040 -5.460 -11.564 1.00 0.00 N ATOM 787 CA ARG A 72 14.497 -5.250 -11.351 1.00 0.00 C ATOM 788 C ARG A 72 15.089 -5.428 -9.920 1.00 0.00 C ATOM 789 O ARG A 72 16.066 -4.765 -9.556 1.00 0.00 O ATOM 790 CB ARG A 72 14.950 -3.936 -12.083 1.00 0.00 C ATOM 791 CG ARG A 72 14.089 -2.639 -11.974 1.00 0.00 C ATOM 792 CD ARG A 72 13.684 -2.166 -10.562 1.00 0.00 C ATOM 793 NE ARG A 72 14.782 -1.461 -9.848 1.00 0.00 N ATOM 794 CZ ARG A 72 14.955 -0.144 -9.782 1.00 0.00 C ATOM 795 NH1 ARG A 72 14.202 0.730 -10.380 1.00 0.00 N ATOM 796 NH2 ARG A 72 15.930 0.292 -9.068 1.00 0.00 N ATOM 0 H ARG A 72 12.455 -5.036 -10.844 1.00 0.00 H new ATOM 0 HA ARG A 72 14.963 -6.120 -11.813 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.949 -3.692 -11.720 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.045 -4.173 -13.143 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.639 -1.830 -12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.177 -2.792 -12.551 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.824 -1.501 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.369 -3.027 -9.973 1.00 0.00 H new ATOM 0 HE ARG A 72 15.466 -2.042 -9.364 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.414 0.420 -10.948 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.399 1.726 -10.281 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.537 -0.365 -8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.097 1.295 -8.991 1.00 0.00 H new ATOM 809 N LYS A 73 14.585 -6.385 -9.121 1.00 0.00 N ATOM 810 CA LYS A 73 15.136 -6.679 -7.785 1.00 0.00 C ATOM 811 C LYS A 73 14.724 -8.123 -7.347 1.00 0.00 C ATOM 812 O LYS A 73 15.521 -9.062 -7.341 1.00 0.00 O ATOM 813 CB LYS A 73 14.776 -5.525 -6.784 1.00 0.00 C ATOM 814 CG LYS A 73 15.336 -5.660 -5.350 1.00 0.00 C ATOM 815 CD LYS A 73 14.999 -4.426 -4.489 1.00 0.00 C ATOM 816 CE LYS A 73 15.501 -4.572 -3.046 1.00 0.00 C ATOM 817 NZ LYS A 73 15.221 -3.332 -2.297 1.00 0.00 N ATOM 0 H LYS A 73 13.792 -6.972 -9.379 1.00 0.00 H new ATOM 0 HA LYS A 73 16.226 -6.693 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.134 -4.585 -7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.690 -5.453 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.925 -6.554 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.417 -5.790 -5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.444 -3.539 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.920 -4.273 -4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.012 -5.418 -2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.571 -4.778 -3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.562 -3.432 -1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.707 -2.534 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.196 -3.155 -2.290 1.00 0.00 H new ATOM 830 N ASP A 74 13.451 -8.253 -6.963 1.00 0.00 N ATOM 831 CA ASP A 74 12.806 -9.462 -6.373 1.00 0.00 C ATOM 832 C ASP A 74 11.279 -9.157 -6.125 1.00 0.00 C ATOM 833 O ASP A 74 10.694 -8.233 -6.685 1.00 0.00 O ATOM 834 CB ASP A 74 13.542 -9.695 -5.004 1.00 0.00 C ATOM 835 CG ASP A 74 13.906 -11.139 -4.702 1.00 0.00 C ATOM 836 OD1 ASP A 74 15.041 -11.591 -4.758 1.00 0.00 O ATOM 837 OD2 ASP A 74 12.822 -11.877 -4.342 1.00 0.00 O ATOM 0 H ASP A 74 12.792 -7.480 -7.055 1.00 0.00 H new ATOM 0 HA ASP A 74 12.875 -10.337 -7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.454 -9.098 -4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.907 -9.322 -4.200 1.00 0.00 H new ATOM 843 N LYS A 75 10.594 -9.941 -5.279 1.00 0.00 N ATOM 844 CA LYS A 75 9.253 -9.554 -4.759 1.00 0.00 C ATOM 845 C LYS A 75 9.474 -8.543 -3.551 1.00 0.00 C ATOM 846 O LYS A 75 10.594 -8.050 -3.343 1.00 0.00 O ATOM 847 CB LYS A 75 8.474 -10.851 -4.386 1.00 0.00 C ATOM 848 CG LYS A 75 6.936 -10.745 -4.480 1.00 0.00 C ATOM 849 CD LYS A 75 6.207 -12.065 -4.162 1.00 0.00 C ATOM 850 CE LYS A 75 6.109 -12.366 -2.658 1.00 0.00 C ATOM 851 NZ LYS A 75 5.362 -13.625 -2.465 1.00 0.00 N ATOM 0 H LYS A 75 10.933 -10.840 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 75 8.641 -9.036 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.807 -11.657 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.741 -11.136 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.590 -9.974 -3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.663 -10.422 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.202 -12.026 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.727 -12.886 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.106 -12.450 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.606 -11.548 -2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.450 -13.933 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.359 -13.472 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.750 -14.359 -3.092 1.00 0.00 H new ATOM 864 N PHE A 76 8.457 -8.162 -2.755 1.00 0.00 N ATOM 865 CA PHE A 76 8.680 -7.333 -1.540 1.00 0.00 C ATOM 866 C PHE A 76 8.103 -8.043 -0.252 1.00 0.00 C ATOM 867 O PHE A 76 7.165 -8.842 -0.323 1.00 0.00 O ATOM 868 CB PHE A 76 8.461 -5.800 -1.863 1.00 0.00 C ATOM 869 CG PHE A 76 9.526 -5.011 -1.068 1.00 0.00 C ATOM 870 CD1 PHE A 76 10.862 -4.952 -1.487 1.00 0.00 C ATOM 871 CD2 PHE A 76 9.189 -4.520 0.196 1.00 0.00 C ATOM 872 CE1 PHE A 76 11.826 -4.359 -0.673 1.00 0.00 C ATOM 873 CE2 PHE A 76 10.154 -3.933 1.011 1.00 0.00 C ATOM 874 CZ PHE A 76 11.470 -3.847 0.571 1.00 0.00 C ATOM 0 H PHE A 76 7.481 -8.408 -2.923 1.00 0.00 H new ATOM 0 HA PHE A 76 9.718 -7.273 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.562 -5.613 -2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.457 -5.486 -1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.146 -5.367 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.170 -4.596 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.851 -4.297 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.881 -3.546 1.982 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.218 -3.382 1.196 1.00 0.00 H new ATOM 884 N SER A 77 8.692 -7.848 0.946 1.00 0.00 N ATOM 885 CA SER A 77 8.282 -8.589 2.175 1.00 0.00 C ATOM 886 C SER A 77 8.882 -7.960 3.459 1.00 0.00 C ATOM 887 O SER A 77 10.043 -7.537 3.490 1.00 0.00 O ATOM 888 CB SER A 77 8.704 -10.087 2.097 1.00 0.00 C ATOM 889 OG SER A 77 10.122 -10.252 2.004 1.00 0.00 O ATOM 0 H SER A 77 9.453 -7.186 1.097 1.00 0.00 H new ATOM 0 HA SER A 77 7.195 -8.520 2.228 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.338 -10.611 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.230 -10.550 1.232 1.00 0.00 H new ATOM 0 HG SER A 77 10.338 -11.207 1.959 1.00 0.00 H new ATOM 895 N PHE A 78 8.085 -7.924 4.530 1.00 0.00 N ATOM 896 CA PHE A 78 8.522 -7.384 5.845 1.00 0.00 C ATOM 897 C PHE A 78 7.779 -8.102 7.029 1.00 0.00 C ATOM 898 O PHE A 78 7.167 -9.162 6.853 1.00 0.00 O ATOM 899 CB PHE A 78 8.416 -5.842 5.827 1.00 0.00 C ATOM 900 CG PHE A 78 7.019 -5.210 5.839 1.00 0.00 C ATOM 901 CD1 PHE A 78 6.267 -5.049 4.669 1.00 0.00 C ATOM 902 CD2 PHE A 78 6.608 -4.587 7.017 1.00 0.00 C ATOM 903 CE1 PHE A 78 5.120 -4.257 4.688 1.00 0.00 C ATOM 904 CE2 PHE A 78 5.475 -3.791 7.028 1.00 0.00 C ATOM 905 CZ PHE A 78 4.730 -3.631 5.875 1.00 0.00 C ATOM 0 H PHE A 78 7.123 -8.263 4.523 1.00 0.00 H new ATOM 0 HA PHE A 78 9.574 -7.608 6.024 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.961 -5.461 6.691 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.936 -5.483 4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.574 -5.536 3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.176 -4.726 7.925 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.535 -4.128 3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.173 -3.295 7.938 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.841 -3.018 5.891 1.00 0.00 H new ATOM 915 N ASP A 79 7.829 -7.544 8.253 1.00 0.00 N ATOM 916 CA ASP A 79 7.117 -8.147 9.424 1.00 0.00 C ATOM 917 C ASP A 79 6.297 -7.076 10.236 1.00 0.00 C ATOM 918 O ASP A 79 6.551 -6.871 11.420 1.00 0.00 O ATOM 919 CB ASP A 79 8.205 -8.928 10.200 1.00 0.00 C ATOM 920 CG ASP A 79 7.660 -10.026 11.104 1.00 0.00 C ATOM 921 OD1 ASP A 79 7.616 -11.205 10.779 1.00 0.00 O ATOM 922 OD2 ASP A 79 7.213 -9.553 12.295 1.00 0.00 O ATOM 0 H ASP A 79 8.343 -6.690 8.468 1.00 0.00 H new ATOM 0 HA ASP A 79 6.327 -8.842 9.142 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.897 -9.372 9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.778 -8.226 10.805 1.00 0.00 H new ATOM 928 N LEU A 80 5.275 -6.453 9.606 1.00 0.00 N ATOM 929 CA LEU A 80 4.471 -5.294 10.147 1.00 0.00 C ATOM 930 C LEU A 80 4.988 -4.562 11.458 1.00 0.00 C ATOM 931 O LEU A 80 4.638 -4.945 12.574 1.00 0.00 O ATOM 932 CB LEU A 80 2.978 -5.715 10.247 1.00 0.00 C ATOM 933 CG LEU A 80 1.982 -4.780 9.521 1.00 0.00 C ATOM 934 CD1 LEU A 80 0.570 -5.287 9.789 1.00 0.00 C ATOM 935 CD2 LEU A 80 2.015 -3.317 9.938 1.00 0.00 C ATOM 0 H LEU A 80 4.964 -6.739 8.678 1.00 0.00 H new ATOM 0 HA LEU A 80 4.612 -4.499 9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.872 -6.720 9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.701 -5.768 11.300 1.00 0.00 H new ATOM 0 HG LEU A 80 2.280 -4.808 8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.150 -4.642 9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.471 -6.305 9.411 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.378 -5.278 10.862 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.276 -2.758 9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.786 -3.236 11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.007 -2.907 9.749 1.00 0.00 H new ATOM 947 N GLY A 81 5.845 -3.532 11.344 1.00 0.00 N ATOM 948 CA GLY A 81 6.475 -2.875 12.550 1.00 0.00 C ATOM 949 C GLY A 81 7.645 -3.717 13.127 1.00 0.00 C ATOM 950 O GLY A 81 7.624 -4.139 14.282 1.00 0.00 O ATOM 0 H GLY A 81 6.127 -3.126 10.452 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.842 -1.886 12.274 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.718 -2.730 13.321 1.00 0.00 H new ATOM 954 N LYS A 82 8.677 -3.910 12.297 1.00 0.00 N ATOM 955 CA LYS A 82 9.810 -4.811 12.561 1.00 0.00 C ATOM 956 C LYS A 82 11.110 -4.006 12.915 1.00 0.00 C ATOM 957 O LYS A 82 11.476 -3.763 14.063 1.00 0.00 O ATOM 958 CB LYS A 82 9.693 -5.667 11.236 1.00 0.00 C ATOM 959 CG LYS A 82 10.101 -5.259 9.769 1.00 0.00 C ATOM 960 CD LYS A 82 10.995 -6.292 9.038 1.00 0.00 C ATOM 961 CE LYS A 82 12.439 -6.460 9.542 1.00 0.00 C ATOM 962 NZ LYS A 82 13.265 -5.273 9.241 1.00 0.00 N ATOM 0 H LYS A 82 8.751 -3.432 11.399 1.00 0.00 H new ATOM 0 HA LYS A 82 9.827 -5.458 13.438 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.250 -6.581 11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.641 -5.943 11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.195 -5.104 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.626 -4.304 9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.503 -7.263 9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.036 -6.016 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.431 -6.634 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.885 -7.341 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.065 -5.551 8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.687 -4.565 8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.625 -4.867 10.128 1.00 0.00 H new ATOM 975 N GLY A 83 11.776 -3.628 11.843 1.00 0.00 N ATOM 976 CA GLY A 83 12.882 -2.601 11.792 1.00 0.00 C ATOM 977 C GLY A 83 12.336 -1.235 11.261 1.00 0.00 C ATOM 978 O GLY A 83 12.616 -0.141 11.736 1.00 0.00 O ATOM 0 H GLY A 83 11.578 -4.026 10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.308 -2.467 12.786 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.685 -2.955 11.146 1.00 0.00 H new ATOM 982 N GLU A 84 11.547 -1.473 10.231 1.00 0.00 N ATOM 983 CA GLU A 84 10.579 -0.641 9.550 1.00 0.00 C ATOM 984 C GLU A 84 10.883 -0.179 8.098 1.00 0.00 C ATOM 985 O GLU A 84 11.962 0.245 7.689 1.00 0.00 O ATOM 986 CB GLU A 84 9.449 0.034 10.407 1.00 0.00 C ATOM 987 CG GLU A 84 9.798 1.035 11.541 1.00 0.00 C ATOM 988 CD GLU A 84 10.580 2.297 11.150 1.00 0.00 C ATOM 989 OE1 GLU A 84 11.363 2.868 11.901 1.00 0.00 O ATOM 990 OE2 GLU A 84 10.292 2.742 9.895 1.00 0.00 O ATOM 0 H GLU A 84 11.579 -2.392 9.791 1.00 0.00 H new ATOM 0 HA GLU A 84 9.877 -1.375 9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.789 0.555 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.867 -0.770 10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.867 1.348 12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.375 0.501 12.296 1.00 0.00 H new ATOM 998 N VAL A 85 9.790 -0.320 7.356 1.00 0.00 N ATOM 999 CA VAL A 85 9.619 -0.031 5.923 1.00 0.00 C ATOM 1000 C VAL A 85 9.431 1.502 5.859 1.00 0.00 C ATOM 1001 O VAL A 85 10.382 2.287 5.922 1.00 0.00 O ATOM 1002 CB VAL A 85 8.470 -1.037 5.478 1.00 0.00 C ATOM 1003 CG1 VAL A 85 8.945 -2.529 5.426 1.00 0.00 C ATOM 1004 CG2 VAL A 85 7.134 -1.029 6.267 1.00 0.00 C ATOM 0 H VAL A 85 8.925 -0.668 7.769 1.00 0.00 H new ATOM 0 HA VAL A 85 10.420 -0.210 5.205 1.00 0.00 H new ATOM 0 HB VAL A 85 8.255 -0.626 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.115 -3.164 5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.763 -2.626 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.288 -2.836 6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.456 -1.769 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.327 -1.272 7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.679 -0.041 6.202 1.00 0.00 H new ATOM 1014 N ILE A 86 8.193 1.898 5.756 1.00 0.00 N ATOM 1015 CA ILE A 86 7.743 3.267 5.991 1.00 0.00 C ATOM 1016 C ILE A 86 6.480 3.154 6.884 1.00 0.00 C ATOM 1017 O ILE A 86 5.722 2.173 6.906 1.00 0.00 O ATOM 1018 CB ILE A 86 7.543 4.155 4.730 1.00 0.00 C ATOM 1019 CG1 ILE A 86 6.606 3.517 3.688 1.00 0.00 C ATOM 1020 CG2 ILE A 86 8.900 4.624 4.187 1.00 0.00 C ATOM 1021 CD1 ILE A 86 6.284 4.416 2.490 1.00 0.00 C ATOM 0 H ILE A 86 7.435 1.266 5.498 1.00 0.00 H new ATOM 0 HA ILE A 86 8.540 3.819 6.488 1.00 0.00 H new ATOM 0 HB ILE A 86 7.006 5.058 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.062 2.596 3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.673 3.239 4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.744 5.244 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.417 5.204 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.504 3.757 3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.619 3.888 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.797 5.327 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.207 4.674 1.971 1.00 0.00 H new ATOM 1033 N LYS A 87 6.233 4.238 7.602 1.00 0.00 N ATOM 1034 CA LYS A 87 5.026 4.347 8.465 1.00 0.00 C ATOM 1035 C LYS A 87 3.677 4.403 7.662 1.00 0.00 C ATOM 1036 O LYS A 87 2.658 3.883 8.113 1.00 0.00 O ATOM 1037 CB LYS A 87 5.312 5.437 9.527 1.00 0.00 C ATOM 1038 CG LYS A 87 4.492 5.357 10.831 1.00 0.00 C ATOM 1039 CD LYS A 87 3.324 6.354 10.894 1.00 0.00 C ATOM 1040 CE LYS A 87 2.679 6.324 12.291 1.00 0.00 C ATOM 1041 NZ LYS A 87 1.562 7.282 12.367 1.00 0.00 N ATOM 0 H LYS A 87 6.837 5.060 7.617 1.00 0.00 H new ATOM 0 HA LYS A 87 4.837 3.430 9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.370 5.393 9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.136 6.412 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.100 4.346 10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.155 5.535 11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.681 7.359 10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.581 6.104 10.136 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.319 5.319 12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.425 6.567 13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.785 8.021 13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.415 7.718 11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.696 6.784 12.657 1.00 0.00 H new ATOM 1054 N ALA A 88 3.710 4.935 6.426 1.00 0.00 N ATOM 1055 CA ALA A 88 2.625 4.792 5.440 1.00 0.00 C ATOM 1056 C ALA A 88 2.368 3.301 5.062 1.00 0.00 C ATOM 1057 O ALA A 88 1.197 2.953 4.882 1.00 0.00 O ATOM 1058 CB ALA A 88 2.998 5.625 4.199 1.00 0.00 C ATOM 0 H ALA A 88 4.499 5.482 6.081 1.00 0.00 H new ATOM 0 HA ALA A 88 1.694 5.156 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.210 5.537 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.113 6.671 4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.936 5.258 3.783 1.00 0.00 H new ATOM 1064 N TRP A 89 3.401 2.420 4.950 1.00 0.00 N ATOM 1065 CA TRP A 89 3.127 0.981 4.739 1.00 0.00 C ATOM 1066 C TRP A 89 2.592 0.276 6.001 1.00 0.00 C ATOM 1067 O TRP A 89 1.674 -0.525 5.870 1.00 0.00 O ATOM 1068 CB TRP A 89 4.336 0.231 4.194 1.00 0.00 C ATOM 1069 CG TRP A 89 4.694 0.482 2.747 1.00 0.00 C ATOM 1070 CD1 TRP A 89 4.273 1.493 1.882 1.00 0.00 C ATOM 1071 CD2 TRP A 89 5.480 -0.337 2.017 1.00 0.00 C ATOM 1072 NE1 TRP A 89 4.729 1.269 0.572 1.00 0.00 N ATOM 1073 CE2 TRP A 89 5.479 0.110 0.680 1.00 0.00 C ATOM 1074 CE3 TRP A 89 6.257 -1.428 2.431 1.00 0.00 C ATOM 1075 CZ2 TRP A 89 6.219 -0.593 -0.295 1.00 0.00 C ATOM 1076 CZ3 TRP A 89 7.020 -2.085 1.476 1.00 0.00 C ATOM 1077 CH2 TRP A 89 6.995 -1.687 0.125 1.00 0.00 C ATOM 0 H TRP A 89 4.388 2.671 5.000 1.00 0.00 H new ATOM 0 HA TRP A 89 2.339 0.953 3.986 1.00 0.00 H new ATOM 0 HB2 TRP A 89 5.200 0.486 4.808 1.00 0.00 H new ATOM 0 HB3 TRP A 89 4.159 -0.837 4.321 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.673 2.340 2.181 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.550 1.828 -0.262 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.262 -1.748 3.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.190 -0.299 -1.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.643 -2.915 1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.582 -2.231 -0.600 1.00 0.00 H new ATOM 1088 N ASP A 90 3.146 0.528 7.197 1.00 0.00 N ATOM 1089 CA ASP A 90 2.548 -0.025 8.446 1.00 0.00 C ATOM 1090 C ASP A 90 1.042 0.386 8.678 1.00 0.00 C ATOM 1091 O ASP A 90 0.257 -0.446 9.136 1.00 0.00 O ATOM 1092 CB ASP A 90 3.517 0.406 9.580 1.00 0.00 C ATOM 1093 CG ASP A 90 3.272 -0.187 10.958 1.00 0.00 C ATOM 1094 OD1 ASP A 90 3.988 -1.042 11.459 1.00 0.00 O ATOM 1095 OD2 ASP A 90 2.198 0.363 11.583 1.00 0.00 O ATOM 0 H ASP A 90 3.983 1.093 7.337 1.00 0.00 H new ATOM 0 HA ASP A 90 2.463 -1.111 8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.531 0.148 9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.476 1.492 9.666 1.00 0.00 H new ATOM 1101 N ILE A 91 0.630 1.620 8.322 1.00 0.00 N ATOM 1102 CA ILE A 91 -0.796 2.051 8.389 1.00 0.00 C ATOM 1103 C ILE A 91 -1.680 1.284 7.334 1.00 0.00 C ATOM 1104 O ILE A 91 -2.659 0.606 7.685 1.00 0.00 O ATOM 1105 CB ILE A 91 -0.917 3.631 8.430 1.00 0.00 C ATOM 1106 CG1 ILE A 91 -0.868 4.190 9.887 1.00 0.00 C ATOM 1107 CG2 ILE A 91 -2.250 4.156 7.834 1.00 0.00 C ATOM 1108 CD1 ILE A 91 0.403 3.894 10.696 1.00 0.00 C ATOM 0 H ILE A 91 1.263 2.344 7.982 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.236 1.746 9.339 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.067 3.971 7.838 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.998 5.271 9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.721 3.789 10.434 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.271 5.244 7.892 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.330 3.846 6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.087 3.747 8.399 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.313 4.335 11.689 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.533 2.816 10.788 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.267 4.321 10.186 1.00 0.00 H new ATOM 1120 N ALA A 92 -1.328 1.391 6.043 1.00 0.00 N ATOM 1121 CA ALA A 92 -2.050 0.692 4.964 1.00 0.00 C ATOM 1122 C ALA A 92 -2.015 -0.873 5.019 1.00 0.00 C ATOM 1123 O ALA A 92 -3.045 -1.490 4.748 1.00 0.00 O ATOM 1124 CB ALA A 92 -1.505 1.305 3.684 1.00 0.00 C ATOM 0 H ALA A 92 -0.544 1.957 5.718 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.126 0.843 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.989 0.842 2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.705 2.376 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.429 1.137 3.629 1.00 0.00 H new ATOM 1130 N VAL A 93 -0.883 -1.518 5.383 1.00 0.00 N ATOM 1131 CA VAL A 93 -0.826 -3.001 5.595 1.00 0.00 C ATOM 1132 C VAL A 93 -1.744 -3.434 6.784 1.00 0.00 C ATOM 1133 O VAL A 93 -2.548 -4.346 6.597 1.00 0.00 O ATOM 1134 CB VAL A 93 0.636 -3.559 5.635 1.00 0.00 C ATOM 1135 CG1 VAL A 93 0.740 -5.036 6.057 1.00 0.00 C ATOM 1136 CG2 VAL A 93 1.320 -3.521 4.254 1.00 0.00 C ATOM 0 H VAL A 93 0.007 -1.045 5.538 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.247 -3.487 4.715 1.00 0.00 H new ATOM 0 HB VAL A 93 1.113 -2.906 6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.786 -5.341 6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.325 -5.159 7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.182 -5.655 5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.331 -3.919 4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.750 -4.125 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.363 -2.492 3.898 1.00 0.00 H new ATOM 1146 N ALA A 94 -1.673 -2.789 7.965 1.00 0.00 N ATOM 1147 CA ALA A 94 -2.617 -3.061 9.084 1.00 0.00 C ATOM 1148 C ALA A 94 -4.155 -2.999 8.701 1.00 0.00 C ATOM 1149 O ALA A 94 -4.970 -3.740 9.251 1.00 0.00 O ATOM 1150 CB ALA A 94 -2.269 -2.081 10.219 1.00 0.00 C ATOM 0 H ALA A 94 -0.975 -2.076 8.176 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.485 -4.098 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.940 -2.247 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.239 -2.244 10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.381 -1.057 9.863 1.00 0.00 H new ATOM 1156 N THR A 95 -4.522 -2.124 7.741 1.00 0.00 N ATOM 1157 CA THR A 95 -5.917 -1.979 7.215 1.00 0.00 C ATOM 1158 C THR A 95 -6.234 -2.679 5.822 1.00 0.00 C ATOM 1159 O THR A 95 -7.255 -2.332 5.218 1.00 0.00 O ATOM 1160 CB THR A 95 -6.276 -0.450 7.206 1.00 0.00 C ATOM 1161 OG1 THR A 95 -5.335 0.318 6.458 1.00 0.00 O ATOM 1162 CG2 THR A 95 -6.380 0.212 8.589 1.00 0.00 C ATOM 0 H THR A 95 -3.860 -1.487 7.298 1.00 0.00 H new ATOM 0 HA THR A 95 -6.561 -2.538 7.894 1.00 0.00 H new ATOM 0 HB THR A 95 -7.264 -0.445 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.490 0.370 6.951 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.632 1.266 8.470 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.157 -0.283 9.172 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.425 0.123 9.108 1.00 0.00 H new ATOM 1170 N MET A 96 -5.462 -3.673 5.305 1.00 0.00 N ATOM 1171 CA MET A 96 -5.753 -4.350 3.987 1.00 0.00 C ATOM 1172 C MET A 96 -6.104 -5.889 4.051 1.00 0.00 C ATOM 1173 O MET A 96 -6.294 -6.417 5.147 1.00 0.00 O ATOM 1174 CB MET A 96 -4.713 -3.884 2.933 1.00 0.00 C ATOM 1175 CG MET A 96 -3.258 -4.398 2.967 1.00 0.00 C ATOM 1176 SD MET A 96 -2.178 -3.045 2.414 1.00 0.00 S ATOM 1177 CE MET A 96 -0.969 -3.833 1.335 1.00 0.00 C ATOM 0 H MET A 96 -4.630 -4.032 5.773 1.00 0.00 H new ATOM 0 HA MET A 96 -6.725 -4.008 3.631 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.117 -4.137 1.953 1.00 0.00 H new ATOM 0 HB3 MET A 96 -4.668 -2.796 2.989 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.988 -4.715 3.974 1.00 0.00 H new ATOM 0 HG3 MET A 96 -3.144 -5.267 2.319 1.00 0.00 H new ATOM 0 HE1 MET A 96 -0.223 -3.100 1.027 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.479 -4.646 1.870 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.472 -4.230 0.454 1.00 0.00 H new ATOM 1187 N LYS A 97 -6.243 -6.626 2.915 1.00 0.00 N ATOM 1188 CA LYS A 97 -6.725 -8.054 2.923 1.00 0.00 C ATOM 1189 C LYS A 97 -5.947 -9.105 2.037 1.00 0.00 C ATOM 1190 O LYS A 97 -5.381 -8.815 0.969 1.00 0.00 O ATOM 1191 CB LYS A 97 -8.257 -8.020 2.591 1.00 0.00 C ATOM 1192 CG LYS A 97 -9.119 -8.919 3.507 1.00 0.00 C ATOM 1193 CD LYS A 97 -10.634 -8.738 3.297 1.00 0.00 C ATOM 1194 CE LYS A 97 -11.439 -9.477 4.378 1.00 0.00 C ATOM 1195 NZ LYS A 97 -12.884 -9.246 4.180 1.00 0.00 N ATOM 0 H LYS A 97 -6.032 -6.267 1.984 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.514 -8.443 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.612 -6.993 2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.401 -8.329 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.858 -9.962 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.876 -8.703 4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.882 -7.677 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.914 -9.112 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.224 -10.545 4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.139 -9.130 5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.420 -9.749 4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.084 -8.227 4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.167 -9.598 3.243 1.00 0.00 H new ATOM 1208 N VAL A 98 -6.001 -10.385 2.491 1.00 0.00 N ATOM 1209 CA VAL A 98 -5.291 -11.541 1.855 1.00 0.00 C ATOM 1210 C VAL A 98 -5.473 -11.648 0.289 1.00 0.00 C ATOM 1211 O VAL A 98 -6.610 -11.731 -0.193 1.00 0.00 O ATOM 1212 CB VAL A 98 -5.796 -12.910 2.415 1.00 0.00 C ATOM 1213 CG1 VAL A 98 -5.132 -14.181 1.817 1.00 0.00 C ATOM 1214 CG2 VAL A 98 -5.556 -13.109 3.926 1.00 0.00 C ATOM 0 H VAL A 98 -6.541 -10.652 3.314 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.246 -11.344 2.094 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.848 -12.827 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.562 -15.069 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.309 -14.212 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.059 -14.155 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.937 -14.084 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.488 -13.055 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.074 -12.328 4.483 1.00 0.00 H new ATOM 1224 N GLY A 99 -4.387 -11.731 -0.483 1.00 0.00 N ATOM 1225 CA GLY A 99 -4.517 -11.998 -1.944 1.00 0.00 C ATOM 1226 C GLY A 99 -4.327 -10.747 -2.813 1.00 0.00 C ATOM 1227 O GLY A 99 -3.594 -10.880 -3.796 1.00 0.00 O ATOM 0 H GLY A 99 -3.430 -11.623 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.782 -12.748 -2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.501 -12.422 -2.142 1.00 0.00 H new ATOM 1231 N GLU A 100 -4.906 -9.560 -2.496 1.00 0.00 N ATOM 1232 CA GLU A 100 -4.671 -8.362 -3.379 1.00 0.00 C ATOM 1233 C GLU A 100 -4.607 -7.008 -2.584 1.00 0.00 C ATOM 1234 O GLU A 100 -4.485 -7.017 -1.358 1.00 0.00 O ATOM 1235 CB GLU A 100 -5.684 -8.384 -4.579 1.00 0.00 C ATOM 1236 CG GLU A 100 -5.469 -9.380 -5.756 1.00 0.00 C ATOM 1237 CD GLU A 100 -4.330 -9.062 -6.731 1.00 0.00 C ATOM 1238 OE1 GLU A 100 -4.504 -8.798 -7.915 1.00 0.00 O ATOM 1239 OE2 GLU A 100 -3.104 -9.093 -6.150 1.00 0.00 O ATOM 0 H GLU A 100 -5.506 -9.398 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.672 -8.431 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.674 -8.578 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.707 -7.380 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.290 -10.369 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.397 -9.439 -6.325 1.00 0.00 H new ATOM 1247 N LEU A 101 -4.536 -5.849 -3.287 1.00 0.00 N ATOM 1248 CA LEU A 101 -4.550 -4.499 -2.682 1.00 0.00 C ATOM 1249 C LEU A 101 -4.983 -3.358 -3.675 1.00 0.00 C ATOM 1250 O LEU A 101 -6.044 -3.384 -4.323 1.00 0.00 O ATOM 1251 CB LEU A 101 -3.553 -4.194 -1.520 1.00 0.00 C ATOM 1252 CG LEU A 101 -3.870 -3.049 -0.534 1.00 0.00 C ATOM 1253 CD1 LEU A 101 -2.942 -1.833 -0.686 1.00 0.00 C ATOM 1254 CD2 LEU A 101 -5.330 -2.634 -0.288 1.00 0.00 C ATOM 0 H LEU A 101 -4.467 -5.829 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.404 -4.517 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.441 -5.108 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.583 -3.981 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.643 -3.565 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.223 -1.068 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.911 -2.138 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.034 -1.429 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.359 -1.816 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.778 -2.307 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.889 -3.484 0.105 1.00 0.00 H new ATOM 1266 N CYS A 102 -4.213 -2.274 -3.667 1.00 0.00 N ATOM 1267 CA CYS A 102 -4.570 -1.002 -4.343 1.00 0.00 C ATOM 1268 C CYS A 102 -3.382 -0.057 -4.627 1.00 0.00 C ATOM 1269 O CYS A 102 -2.276 -0.494 -4.957 1.00 0.00 O ATOM 1270 CB CYS A 102 -5.617 -0.392 -3.400 1.00 0.00 C ATOM 1271 SG CYS A 102 -5.058 0.771 -2.123 1.00 0.00 S ATOM 0 H CYS A 102 -3.312 -2.240 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.944 -1.175 -5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -6.358 0.120 -4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -6.131 -1.213 -2.899 1.00 0.00 H new ATOM 0 HG CYS A 102 -6.089 1.260 -1.500 1.00 0.00 H new ATOM 1277 N ARG A 103 -3.635 1.265 -4.551 1.00 0.00 N ATOM 1278 CA ARG A 103 -2.611 2.283 -4.581 1.00 0.00 C ATOM 1279 C ARG A 103 -2.661 3.198 -3.320 1.00 0.00 C ATOM 1280 O ARG A 103 -3.582 3.960 -3.040 1.00 0.00 O ATOM 1281 CB ARG A 103 -2.440 3.028 -5.900 1.00 0.00 C ATOM 1282 CG ARG A 103 -3.324 2.766 -7.146 1.00 0.00 C ATOM 1283 CD ARG A 103 -2.687 3.337 -8.422 1.00 0.00 C ATOM 1284 NE ARG A 103 -3.423 2.803 -9.595 1.00 0.00 N ATOM 1285 CZ ARG A 103 -2.981 2.791 -10.846 1.00 0.00 C ATOM 1286 NH1 ARG A 103 -1.832 3.265 -11.227 1.00 0.00 N ATOM 1287 NH2 ARG A 103 -3.750 2.274 -11.737 1.00 0.00 N ATOM 0 H ARG A 103 -4.579 1.643 -4.466 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.673 1.730 -4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.539 4.089 -5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.409 2.865 -6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.478 1.693 -7.264 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.306 3.215 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.729 4.426 -8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.634 3.059 -8.477 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.349 2.411 -9.425 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.201 3.683 -10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.562 3.219 -12.210 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.658 1.895 -11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.452 2.243 -12.712 1.00 0.00 H new ATOM 1300 N ILE A 104 -1.597 3.054 -2.561 1.00 0.00 N ATOM 1301 CA ILE A 104 -1.290 3.814 -1.329 1.00 0.00 C ATOM 1302 C ILE A 104 -0.739 5.223 -1.610 1.00 0.00 C ATOM 1303 O ILE A 104 -0.280 5.472 -2.736 1.00 0.00 O ATOM 1304 CB ILE A 104 -0.055 3.014 -0.674 1.00 0.00 C ATOM 1305 CG1 ILE A 104 -0.353 1.526 -0.291 1.00 0.00 C ATOM 1306 CG2 ILE A 104 0.726 3.745 0.463 1.00 0.00 C ATOM 1307 CD1 ILE A 104 0.312 0.944 0.984 1.00 0.00 C ATOM 0 H ILE A 104 -0.872 2.371 -2.783 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.195 3.907 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 104 0.629 2.993 -1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.432 1.422 -0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -0.058 0.901 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.532 3.104 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.145 4.674 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.047 3.968 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.007 -0.095 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.396 0.994 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.001 1.523 1.853 1.00 0.00 H new ATOM 1319 N THR A 105 -0.992 6.273 -0.805 1.00 0.00 N ATOM 1320 CA THR A 105 0.051 7.354 -0.631 1.00 0.00 C ATOM 1321 C THR A 105 0.000 8.316 0.570 1.00 0.00 C ATOM 1322 O THR A 105 -0.981 8.319 1.308 1.00 0.00 O ATOM 1323 CB THR A 105 1.528 7.088 -1.093 1.00 0.00 C ATOM 1324 OG1 THR A 105 1.903 5.836 -1.603 1.00 0.00 O ATOM 1325 CG2 THR A 105 2.860 7.277 -0.285 1.00 0.00 C ATOM 0 H THR A 105 -1.856 6.412 -0.281 1.00 0.00 H new ATOM 0 HA THR A 105 -0.422 7.917 -1.436 1.00 0.00 H new ATOM 0 HB THR A 105 1.280 7.941 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.867 5.830 -1.780 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.708 6.998 -0.911 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.958 8.320 0.015 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.840 6.644 0.602 1.00 0.00 H new ATOM 1333 N CYS A 106 0.945 9.277 0.644 1.00 0.00 N ATOM 1334 CA CYS A 106 1.240 9.934 1.947 1.00 0.00 C ATOM 1335 C CYS A 106 1.948 11.311 1.906 1.00 0.00 C ATOM 1336 O CYS A 106 2.627 11.701 0.947 1.00 0.00 O ATOM 1337 CB CYS A 106 2.191 8.952 2.752 1.00 0.00 C ATOM 1338 SG CYS A 106 3.974 9.106 2.362 1.00 0.00 S ATOM 0 H CYS A 106 1.500 9.609 -0.145 1.00 0.00 H new ATOM 0 HA CYS A 106 0.265 10.128 2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.051 9.129 3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.879 7.926 2.555 1.00 0.00 H new ATOM 0 HG CYS A 106 4.475 10.114 3.013 1.00 0.00 H new ATOM 1344 N LYS A 107 1.841 11.969 3.062 1.00 0.00 N ATOM 1345 CA LYS A 107 2.630 13.184 3.377 1.00 0.00 C ATOM 1346 C LYS A 107 4.089 12.742 3.823 1.00 0.00 C ATOM 1347 O LYS A 107 4.182 11.736 4.541 1.00 0.00 O ATOM 1348 CB LYS A 107 1.910 13.889 4.560 1.00 0.00 C ATOM 1349 CG LYS A 107 2.477 15.295 4.872 1.00 0.00 C ATOM 1350 CD LYS A 107 1.826 15.970 6.090 1.00 0.00 C ATOM 1351 CE LYS A 107 2.687 17.136 6.604 1.00 0.00 C ATOM 1352 NZ LYS A 107 2.195 17.592 7.916 1.00 0.00 N ATOM 0 H LYS A 107 1.210 11.684 3.811 1.00 0.00 H new ATOM 0 HA LYS A 107 2.710 13.851 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.848 13.976 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.993 13.266 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.550 15.214 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.341 15.933 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.836 16.337 5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.689 15.237 6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.727 16.821 6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.660 17.960 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.718 18.443 8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.181 17.815 7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.338 16.841 8.621 1.00 0.00 H new ATOM 1365 N PRO A 108 5.232 13.441 3.528 1.00 0.00 N ATOM 1366 CA PRO A 108 6.596 13.025 3.999 1.00 0.00 C ATOM 1367 C PRO A 108 6.820 12.590 5.490 1.00 0.00 C ATOM 1368 O PRO A 108 7.770 11.858 5.757 1.00 0.00 O ATOM 1369 CB PRO A 108 7.479 14.209 3.566 1.00 0.00 C ATOM 1370 CG PRO A 108 6.796 14.696 2.304 1.00 0.00 C ATOM 1371 CD PRO A 108 5.293 14.543 2.549 1.00 0.00 C ATOM 0 HA PRO A 108 6.837 12.060 3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.517 14.985 4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.506 13.899 3.375 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.053 15.735 2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 108 7.112 14.112 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.852 15.459 2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.756 14.300 1.632 1.00 0.00 H new ATOM 1379 N GLU A 109 5.956 12.974 6.447 1.00 0.00 N ATOM 1380 CA GLU A 109 6.037 12.501 7.859 1.00 0.00 C ATOM 1381 C GLU A 109 5.910 10.951 8.062 1.00 0.00 C ATOM 1382 O GLU A 109 6.582 10.367 8.912 1.00 0.00 O ATOM 1383 CB GLU A 109 5.067 13.342 8.746 1.00 0.00 C ATOM 1384 CG GLU A 109 3.552 13.282 8.380 1.00 0.00 C ATOM 1385 CD GLU A 109 2.577 14.089 9.238 1.00 0.00 C ATOM 1386 OE1 GLU A 109 2.877 15.079 9.898 1.00 0.00 O ATOM 1387 OE2 GLU A 109 1.304 13.616 9.128 1.00 0.00 O ATOM 0 H GLU A 109 5.183 13.617 6.275 1.00 0.00 H new ATOM 0 HA GLU A 109 7.058 12.679 8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.180 13.014 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.386 14.384 8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 109 3.444 13.615 7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.241 12.238 8.413 1.00 0.00 H new ATOM 1395 N TYR A 110 5.059 10.303 7.260 1.00 0.00 N ATOM 1396 CA TYR A 110 4.935 8.836 7.187 1.00 0.00 C ATOM 1397 C TYR A 110 5.977 8.152 6.222 1.00 0.00 C ATOM 1398 O TYR A 110 5.973 6.921 6.141 1.00 0.00 O ATOM 1399 CB TYR A 110 3.479 8.558 6.722 1.00 0.00 C ATOM 1400 CG TYR A 110 2.338 8.586 7.768 1.00 0.00 C ATOM 1401 CD1 TYR A 110 2.331 9.475 8.848 1.00 0.00 C ATOM 1402 CD2 TYR A 110 1.268 7.696 7.630 1.00 0.00 C ATOM 1403 CE1 TYR A 110 1.277 9.492 9.750 1.00 0.00 C ATOM 1404 CE2 TYR A 110 0.215 7.704 8.541 1.00 0.00 C ATOM 1405 CZ TYR A 110 0.212 8.615 9.586 1.00 0.00 C ATOM 1406 OH TYR A 110 -0.866 8.703 10.419 1.00 0.00 O ATOM 0 H TYR A 110 4.422 10.790 6.629 1.00 0.00 H new ATOM 0 HA TYR A 110 5.153 8.403 8.163 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.235 9.288 5.950 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.467 7.576 6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.157 10.157 8.981 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.258 6.995 6.808 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.284 10.185 10.578 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.598 7.002 8.434 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.526 8.021 10.174 1.00 0.00 H new ATOM 1416 N ALA A 111 6.837 8.903 5.498 1.00 0.00 N ATOM 1417 CA ALA A 111 7.802 8.322 4.524 1.00 0.00 C ATOM 1418 C ALA A 111 9.290 8.805 4.728 1.00 0.00 C ATOM 1419 O ALA A 111 9.958 8.305 5.634 1.00 0.00 O ATOM 1420 CB ALA A 111 7.187 8.638 3.146 1.00 0.00 C ATOM 0 H ALA A 111 6.886 9.919 5.567 1.00 0.00 H new ATOM 0 HA ALA A 111 7.926 7.247 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.833 8.246 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.203 8.175 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.090 9.717 3.030 1.00 0.00 H new ATOM 1426 N TYR A 112 9.820 9.731 3.890 1.00 0.00 N ATOM 1427 CA TYR A 112 11.254 10.231 4.005 1.00 0.00 C ATOM 1428 C TYR A 112 11.425 11.692 4.578 1.00 0.00 C ATOM 1429 O TYR A 112 12.572 12.102 4.789 1.00 0.00 O ATOM 1430 CB TYR A 112 12.159 9.898 2.742 1.00 0.00 C ATOM 1431 CG TYR A 112 12.084 8.407 2.352 1.00 0.00 C ATOM 1432 CD1 TYR A 112 12.735 7.448 3.135 1.00 0.00 C ATOM 1433 CD2 TYR A 112 11.230 7.985 1.336 1.00 0.00 C ATOM 1434 CE1 TYR A 112 12.498 6.089 2.933 1.00 0.00 C ATOM 1435 CE2 TYR A 112 10.989 6.624 1.136 1.00 0.00 C ATOM 1436 CZ TYR A 112 11.619 5.680 1.936 1.00 0.00 C ATOM 1437 OH TYR A 112 11.371 4.350 1.739 1.00 0.00 O ATOM 0 H TYR A 112 9.297 10.157 3.125 1.00 0.00 H new ATOM 0 HA TYR A 112 11.670 9.619 4.806 1.00 0.00 H new ATOM 0 HB2 TYR A 112 11.842 10.510 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.194 10.164 2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 112 13.427 7.763 3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 112 10.751 8.714 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 112 12.996 5.355 3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.311 6.305 0.358 1.00 0.00 H new ATOM 0 HH TYR A 112 10.732 4.242 1.003 1.00 0.00 H new ATOM 1447 N GLY A 113 10.363 12.500 4.848 1.00 0.00 N ATOM 1448 CA GLY A 113 10.500 13.834 5.492 1.00 0.00 C ATOM 1449 C GLY A 113 11.251 14.940 4.731 1.00 0.00 C ATOM 1450 O GLY A 113 11.336 14.945 3.501 1.00 0.00 O ATOM 0 H GLY A 113 9.399 12.248 4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.497 14.202 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 113 11.001 13.691 6.449 1.00 0.00 H new ATOM 1454 N SER A 114 11.798 15.892 5.493 1.00 0.00 N ATOM 1455 CA SER A 114 12.622 17.002 4.929 1.00 0.00 C ATOM 1456 C SER A 114 14.005 16.594 4.298 1.00 0.00 C ATOM 1457 O SER A 114 14.513 17.327 3.450 1.00 0.00 O ATOM 1458 CB SER A 114 12.795 18.073 6.033 1.00 0.00 C ATOM 1459 OG SER A 114 13.578 17.602 7.136 1.00 0.00 O ATOM 0 H SER A 114 11.693 15.929 6.507 1.00 0.00 H new ATOM 0 HA SER A 114 12.076 17.389 4.069 1.00 0.00 H new ATOM 0 HB2 SER A 114 13.269 18.957 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.813 18.381 6.393 1.00 0.00 H new ATOM 0 HG SER A 114 13.661 18.313 7.806 1.00 0.00 H new ATOM 1465 N ALA A 115 14.611 15.462 4.702 1.00 0.00 N ATOM 1466 CA ALA A 115 15.913 14.982 4.166 1.00 0.00 C ATOM 1467 C ALA A 115 15.914 14.004 2.940 1.00 0.00 C ATOM 1468 O ALA A 115 16.864 14.070 2.154 1.00 0.00 O ATOM 1469 CB ALA A 115 16.662 14.375 5.369 1.00 0.00 C ATOM 0 H ALA A 115 14.215 14.847 5.413 1.00 0.00 H new ATOM 0 HA ALA A 115 16.398 15.849 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 115 17.632 14.001 5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 115 16.806 15.140 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 115 16.078 13.554 5.784 1.00 0.00 H new ATOM 1475 N GLY A 116 14.917 13.117 2.748 1.00 0.00 N ATOM 1476 CA GLY A 116 14.922 12.131 1.642 1.00 0.00 C ATOM 1477 C GLY A 116 15.676 10.810 1.951 1.00 0.00 C ATOM 1478 O GLY A 116 16.362 10.689 2.971 1.00 0.00 O ATOM 0 H GLY A 116 14.093 13.061 3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.891 11.892 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 116 15.373 12.593 0.764 1.00 0.00 H new ATOM 1482 N SER A 117 15.510 9.776 1.106 1.00 0.00 N ATOM 1483 CA SER A 117 16.252 8.493 1.285 1.00 0.00 C ATOM 1484 C SER A 117 17.641 8.644 0.547 1.00 0.00 C ATOM 1485 O SER A 117 17.610 8.754 -0.686 1.00 0.00 O ATOM 1486 CB SER A 117 15.440 7.278 0.776 1.00 0.00 C ATOM 1487 OG SER A 117 15.959 6.066 1.325 1.00 0.00 O ATOM 0 H SER A 117 14.882 9.792 0.302 1.00 0.00 H new ATOM 0 HA SER A 117 16.417 8.297 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 117 14.392 7.391 1.054 1.00 0.00 H new ATOM 0 HB3 SER A 117 15.479 7.237 -0.313 1.00 0.00 H new ATOM 0 HG SER A 117 15.434 5.307 0.996 1.00 0.00 H new ATOM 1493 N PRO A 118 18.850 8.637 1.196 1.00 0.00 N ATOM 1494 CA PRO A 118 20.156 8.901 0.513 1.00 0.00 C ATOM 1495 C PRO A 118 20.489 8.323 -0.916 1.00 0.00 C ATOM 1496 O PRO A 118 20.913 9.135 -1.746 1.00 0.00 O ATOM 1497 CB PRO A 118 21.192 8.593 1.609 1.00 0.00 C ATOM 1498 CG PRO A 118 20.453 8.909 2.912 1.00 0.00 C ATOM 1499 CD PRO A 118 18.998 8.506 2.658 1.00 0.00 C ATOM 0 HA PRO A 118 20.139 9.929 0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 118 21.513 7.552 1.574 1.00 0.00 H new ATOM 0 HB3 PRO A 118 22.086 9.206 1.498 1.00 0.00 H new ATOM 0 HG2 PRO A 118 20.875 8.352 3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 118 20.530 9.967 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 118 18.801 7.487 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 118 18.304 9.156 3.191 1.00 0.00 H new ATOM 1507 N PRO A 119 20.328 7.021 -1.295 1.00 0.00 N ATOM 1508 CA PRO A 119 20.644 6.551 -2.679 1.00 0.00 C ATOM 1509 C PRO A 119 19.510 6.642 -3.771 1.00 0.00 C ATOM 1510 O PRO A 119 19.708 6.099 -4.862 1.00 0.00 O ATOM 1511 CB PRO A 119 21.036 5.092 -2.360 1.00 0.00 C ATOM 1512 CG PRO A 119 20.093 4.672 -1.226 1.00 0.00 C ATOM 1513 CD PRO A 119 19.952 5.931 -0.370 1.00 0.00 C ATOM 0 HA PRO A 119 21.389 7.182 -3.163 1.00 0.00 H new ATOM 0 HB2 PRO A 119 20.916 4.450 -3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 119 22.080 5.021 -2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.128 4.343 -1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.506 3.843 -0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.934 6.052 0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 119 20.607 5.900 0.501 1.00 0.00 H new ATOM 1521 N LYS A 120 18.345 7.288 -3.530 1.00 0.00 N ATOM 1522 CA LYS A 120 17.215 7.311 -4.509 1.00 0.00 C ATOM 1523 C LYS A 120 16.125 8.446 -4.405 1.00 0.00 C ATOM 1524 O LYS A 120 15.382 8.636 -5.373 1.00 0.00 O ATOM 1525 CB LYS A 120 16.492 5.922 -4.398 1.00 0.00 C ATOM 1526 CG LYS A 120 15.753 5.399 -5.654 1.00 0.00 C ATOM 1527 CD LYS A 120 16.708 4.873 -6.745 1.00 0.00 C ATOM 1528 CE LYS A 120 15.960 4.140 -7.869 1.00 0.00 C ATOM 1529 NZ LYS A 120 16.930 3.630 -8.857 1.00 0.00 N ATOM 0 H LYS A 120 18.156 7.802 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 120 17.693 7.529 -5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 120 17.235 5.178 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 120 15.770 5.983 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 120 15.072 4.600 -5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 120 15.143 6.201 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 120 17.268 5.707 -7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 120 17.435 4.197 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.379 3.316 -7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 120 15.255 4.816 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 16.422 3.149 -9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 17.478 4.423 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 17.575 2.958 -8.395 1.00 0.00 H new ATOM 1542 N ILE A 121 15.977 9.176 -3.282 1.00 0.00 N ATOM 1543 CA ILE A 121 14.845 10.150 -3.071 1.00 0.00 C ATOM 1544 C ILE A 121 15.349 11.599 -2.705 1.00 0.00 C ATOM 1545 O ILE A 121 16.232 11.704 -1.846 1.00 0.00 O ATOM 1546 CB ILE A 121 13.855 9.497 -2.019 1.00 0.00 C ATOM 1547 CG1 ILE A 121 13.018 8.376 -2.705 1.00 0.00 C ATOM 1548 CG2 ILE A 121 12.922 10.459 -1.226 1.00 0.00 C ATOM 1549 CD1 ILE A 121 12.092 7.537 -1.838 1.00 0.00 C ATOM 0 H ILE A 121 16.622 9.121 -2.493 1.00 0.00 H new ATOM 0 HA ILE A 121 14.298 10.321 -3.998 1.00 0.00 H new ATOM 0 HB ILE A 121 14.516 9.096 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 121 12.414 8.841 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 121 13.713 7.699 -3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 121 12.299 9.881 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.527 11.165 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 121 12.286 11.005 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 121 11.580 6.802 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 121 12.675 7.024 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 121 11.356 8.184 -1.360 1.00 0.00 H new ATOM 1561 N PRO A 122 14.811 12.739 -3.256 1.00 0.00 N ATOM 1562 CA PRO A 122 15.299 14.100 -2.898 1.00 0.00 C ATOM 1563 C PRO A 122 14.697 14.703 -1.563 1.00 0.00 C ATOM 1564 O PRO A 122 13.750 14.128 -1.008 1.00 0.00 O ATOM 1565 CB PRO A 122 14.912 14.868 -4.180 1.00 0.00 C ATOM 1566 CG PRO A 122 13.615 14.226 -4.674 1.00 0.00 C ATOM 1567 CD PRO A 122 13.699 12.763 -4.235 1.00 0.00 C ATOM 0 HA PRO A 122 16.359 14.139 -2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 122 14.769 15.929 -3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.697 14.793 -4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 122 12.743 14.717 -4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 122 13.523 14.307 -5.757 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.765 12.428 -3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 122 13.899 12.105 -5.080 1.00 0.00 H new ATOM 1575 N PRO A 123 15.194 15.854 -1.013 1.00 0.00 N ATOM 1576 CA PRO A 123 14.643 16.455 0.235 1.00 0.00 C ATOM 1577 C PRO A 123 13.187 17.028 0.104 1.00 0.00 C ATOM 1578 O PRO A 123 12.855 17.719 -0.864 1.00 0.00 O ATOM 1579 CB PRO A 123 15.703 17.519 0.582 1.00 0.00 C ATOM 1580 CG PRO A 123 16.370 17.876 -0.747 1.00 0.00 C ATOM 1581 CD PRO A 123 16.402 16.551 -1.505 1.00 0.00 C ATOM 0 HA PRO A 123 14.496 15.716 1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 123 15.245 18.396 1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 123 16.430 17.131 1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 123 15.803 18.633 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 123 17.373 18.275 -0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 123 16.369 16.703 -2.584 1.00 0.00 H new ATOM 0 HD3 PRO A 123 17.309 15.986 -1.291 1.00 0.00 H new ATOM 1589 N ASN A 124 12.325 16.746 1.105 1.00 0.00 N ATOM 1590 CA ASN A 124 10.890 17.177 1.148 1.00 0.00 C ATOM 1591 C ASN A 124 10.034 16.633 -0.071 1.00 0.00 C ATOM 1592 O ASN A 124 9.404 17.416 -0.790 1.00 0.00 O ATOM 1593 CB ASN A 124 10.863 18.710 1.401 1.00 0.00 C ATOM 1594 CG ASN A 124 9.511 19.274 1.823 1.00 0.00 C ATOM 1595 OD1 ASN A 124 9.058 19.092 2.946 1.00 0.00 O ATOM 1596 ND2 ASN A 124 8.818 19.961 0.955 1.00 0.00 N ATOM 0 H ASN A 124 12.601 16.204 1.924 1.00 0.00 H new ATOM 0 HA ASN A 124 10.365 16.710 1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 124 11.595 18.948 2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 124 11.183 19.218 0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.908 20.341 1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 124 9.187 20.118 0.017 1.00 0.00 H new ATOM 1603 N ALA A 125 9.971 15.299 -0.296 1.00 0.00 N ATOM 1604 CA ALA A 125 9.271 14.712 -1.468 1.00 0.00 C ATOM 1605 C ALA A 125 8.019 13.886 -1.052 1.00 0.00 C ATOM 1606 O ALA A 125 8.140 12.858 -0.378 1.00 0.00 O ATOM 1607 CB ALA A 125 10.322 13.855 -2.201 1.00 0.00 C ATOM 0 H ALA A 125 10.397 14.606 0.319 1.00 0.00 H new ATOM 0 HA ALA A 125 8.878 15.491 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.868 13.393 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 125 11.153 14.487 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 125 10.689 13.078 -1.531 1.00 0.00 H new ATOM 1613 N THR A 126 6.806 14.331 -1.441 1.00 0.00 N ATOM 1614 CA THR A 126 5.537 13.595 -1.117 1.00 0.00 C ATOM 1615 C THR A 126 5.486 12.229 -1.931 1.00 0.00 C ATOM 1616 O THR A 126 5.967 12.205 -3.073 1.00 0.00 O ATOM 1617 CB THR A 126 4.367 14.579 -1.406 1.00 0.00 C ATOM 1618 OG1 THR A 126 4.489 15.750 -0.600 1.00 0.00 O ATOM 1619 CG2 THR A 126 2.955 14.061 -1.132 1.00 0.00 C ATOM 0 H THR A 126 6.665 15.188 -1.976 1.00 0.00 H new ATOM 0 HA THR A 126 5.468 13.293 -0.072 1.00 0.00 H new ATOM 0 HB THR A 126 4.466 14.753 -2.478 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.747 16.360 -0.795 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.229 14.838 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.764 13.183 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.864 13.792 -0.080 1.00 0.00 H new ATOM 1627 N LEU A 127 4.946 11.101 -1.407 1.00 0.00 N ATOM 1628 CA LEU A 127 5.044 9.782 -2.120 1.00 0.00 C ATOM 1629 C LEU A 127 3.716 9.156 -2.638 1.00 0.00 C ATOM 1630 O LEU A 127 2.607 9.598 -2.311 1.00 0.00 O ATOM 1631 CB LEU A 127 5.839 8.802 -1.200 1.00 0.00 C ATOM 1632 CG LEU A 127 7.341 9.031 -0.939 1.00 0.00 C ATOM 1633 CD1 LEU A 127 7.878 7.767 -0.263 1.00 0.00 C ATOM 1634 CD2 LEU A 127 8.152 9.252 -2.220 1.00 0.00 C ATOM 0 H LEU A 127 4.449 11.065 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 127 5.568 9.976 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.340 8.792 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.733 7.803 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 127 7.443 9.929 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.942 7.887 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.346 7.602 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.729 6.911 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.200 9.407 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.061 8.377 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.773 10.129 -2.744 1.00 0.00 H new ATOM 1646 N VAL A 128 3.909 8.054 -3.403 1.00 0.00 N ATOM 1647 CA VAL A 128 2.842 7.287 -4.115 1.00 0.00 C ATOM 1648 C VAL A 128 3.288 5.766 -4.313 1.00 0.00 C ATOM 1649 O VAL A 128 4.368 5.556 -4.862 1.00 0.00 O ATOM 1650 CB VAL A 128 2.658 8.012 -5.507 1.00 0.00 C ATOM 1651 CG1 VAL A 128 1.456 7.482 -6.268 1.00 0.00 C ATOM 1652 CG2 VAL A 128 2.507 9.561 -5.578 1.00 0.00 C ATOM 0 H VAL A 128 4.837 7.657 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 128 1.909 7.266 -3.552 1.00 0.00 H new ATOM 0 HB VAL A 128 3.635 7.776 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.367 8.008 -7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.584 6.416 -6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.553 7.642 -5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.392 9.868 -6.617 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.629 9.867 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.395 10.033 -5.157 1.00 0.00 H new ATOM 1662 N PHE A 129 2.569 4.686 -3.889 1.00 0.00 N ATOM 1663 CA PHE A 129 3.002 3.269 -4.204 1.00 0.00 C ATOM 1664 C PHE A 129 1.765 2.379 -4.512 1.00 0.00 C ATOM 1665 O PHE A 129 0.809 2.338 -3.742 1.00 0.00 O ATOM 1666 CB PHE A 129 3.954 2.519 -3.229 1.00 0.00 C ATOM 1667 CG PHE A 129 5.135 3.190 -2.535 1.00 0.00 C ATOM 1668 CD1 PHE A 129 4.906 4.122 -1.527 1.00 0.00 C ATOM 1669 CD2 PHE A 129 6.440 2.752 -2.778 1.00 0.00 C ATOM 1670 CE1 PHE A 129 5.974 4.691 -0.842 1.00 0.00 C ATOM 1671 CE2 PHE A 129 7.506 3.276 -2.054 1.00 0.00 C ATOM 1672 CZ PHE A 129 7.274 4.254 -1.094 1.00 0.00 C ATOM 0 H PHE A 129 1.710 4.753 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 129 3.642 3.431 -5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.325 2.108 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.362 1.674 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 129 3.894 4.405 -1.276 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.622 2.002 -3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 129 5.797 5.470 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 129 8.510 2.924 -2.237 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.101 4.676 -0.543 1.00 0.00 H new ATOM 1682 N GLU A 130 1.775 1.624 -5.616 1.00 0.00 N ATOM 1683 CA GLU A 130 0.683 0.675 -5.939 1.00 0.00 C ATOM 1684 C GLU A 130 1.148 -0.681 -5.389 1.00 0.00 C ATOM 1685 O GLU A 130 2.063 -1.307 -5.934 1.00 0.00 O ATOM 1686 CB GLU A 130 0.386 0.701 -7.442 1.00 0.00 C ATOM 1687 CG GLU A 130 -0.855 -0.017 -7.977 1.00 0.00 C ATOM 1688 CD GLU A 130 -0.839 -1.544 -8.017 1.00 0.00 C ATOM 1689 OE1 GLU A 130 -0.355 -2.184 -8.945 1.00 0.00 O ATOM 1690 OE2 GLU A 130 -1.428 -2.105 -6.920 1.00 0.00 O ATOM 0 H GLU A 130 2.525 1.646 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.273 0.930 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.314 1.746 -7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.252 0.281 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.707 0.292 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.037 0.342 -8.990 1.00 0.00 H new ATOM 1698 N VAL A 131 0.567 -1.076 -4.258 1.00 0.00 N ATOM 1699 CA VAL A 131 1.009 -2.282 -3.541 1.00 0.00 C ATOM 1700 C VAL A 131 -0.171 -3.281 -3.529 1.00 0.00 C ATOM 1701 O VAL A 131 -1.326 -2.886 -3.362 1.00 0.00 O ATOM 1702 CB VAL A 131 1.499 -1.891 -2.104 1.00 0.00 C ATOM 1703 CG1 VAL A 131 2.363 -3.026 -1.512 1.00 0.00 C ATOM 1704 CG2 VAL A 131 2.335 -0.592 -1.977 1.00 0.00 C ATOM 0 H VAL A 131 -0.209 -0.584 -3.815 1.00 0.00 H new ATOM 0 HA VAL A 131 1.856 -2.759 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 131 0.566 -1.717 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 131 2.699 -2.745 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.772 -3.940 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.229 -3.195 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.610 -0.437 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.238 -0.680 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.746 0.256 -2.327 1.00 0.00 H new ATOM 1714 N GLU A 132 0.127 -4.562 -3.716 1.00 0.00 N ATOM 1715 CA GLU A 132 -0.912 -5.638 -3.656 1.00 0.00 C ATOM 1716 C GLU A 132 -0.440 -6.665 -2.587 1.00 0.00 C ATOM 1717 O GLU A 132 0.666 -7.213 -2.696 1.00 0.00 O ATOM 1718 CB GLU A 132 -1.103 -6.318 -5.034 1.00 0.00 C ATOM 1719 CG GLU A 132 -1.753 -5.436 -6.134 1.00 0.00 C ATOM 1720 CD GLU A 132 -2.166 -6.173 -7.408 1.00 0.00 C ATOM 1721 OE1 GLU A 132 -1.721 -7.264 -7.758 1.00 0.00 O ATOM 1722 OE2 GLU A 132 -3.111 -5.489 -8.105 1.00 0.00 O ATOM 0 H GLU A 132 1.069 -4.901 -3.911 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.880 -5.216 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -0.129 -6.654 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -1.717 -7.208 -4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -2.634 -4.951 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -1.052 -4.646 -6.403 1.00 0.00 H new ATOM 1730 N LEU A 133 -1.238 -6.917 -1.535 1.00 0.00 N ATOM 1731 CA LEU A 133 -0.832 -7.883 -0.478 1.00 0.00 C ATOM 1732 C LEU A 133 -1.287 -9.329 -0.808 1.00 0.00 C ATOM 1733 O LEU A 133 -2.465 -9.664 -0.733 1.00 0.00 O ATOM 1734 CB LEU A 133 -1.409 -7.433 0.875 1.00 0.00 C ATOM 1735 CG LEU A 133 -0.887 -8.177 2.121 1.00 0.00 C ATOM 1736 CD1 LEU A 133 0.634 -8.239 2.301 1.00 0.00 C ATOM 1737 CD2 LEU A 133 -1.443 -7.480 3.366 1.00 0.00 C ATOM 0 H LEU A 133 -2.148 -6.481 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 133 0.257 -7.894 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -1.202 -6.370 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -2.493 -7.544 0.839 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.220 -9.205 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 133 0.870 -8.788 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 133 1.081 -8.746 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.033 -7.227 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -1.085 -7.991 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -1.108 -6.443 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -2.532 -7.509 3.343 1.00 0.00 H new ATOM 1749 N PHE A 134 -0.324 -10.197 -1.073 1.00 0.00 N ATOM 1750 CA PHE A 134 -0.572 -11.599 -1.490 1.00 0.00 C ATOM 1751 C PHE A 134 -0.882 -12.644 -0.360 1.00 0.00 C ATOM 1752 O PHE A 134 -1.730 -13.521 -0.531 1.00 0.00 O ATOM 1753 CB PHE A 134 0.652 -12.019 -2.359 1.00 0.00 C ATOM 1754 CG PHE A 134 0.954 -11.284 -3.702 1.00 0.00 C ATOM 1755 CD1 PHE A 134 0.004 -10.506 -4.388 1.00 0.00 C ATOM 1756 CD2 PHE A 134 2.234 -11.415 -4.256 1.00 0.00 C ATOM 1757 CE1 PHE A 134 0.322 -9.900 -5.597 1.00 0.00 C ATOM 1758 CE2 PHE A 134 2.544 -10.821 -5.476 1.00 0.00 C ATOM 1759 CZ PHE A 134 1.580 -10.083 -6.155 1.00 0.00 C ATOM 0 H PHE A 134 0.666 -9.962 -1.009 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.512 -11.611 -2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 134 1.539 -11.925 -1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 134 0.536 -13.078 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -0.984 -10.378 -3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 134 2.988 -11.983 -3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -0.409 -9.287 -6.103 1.00 0.00 H new ATOM 0 HE2 PHE A 134 3.533 -10.933 -5.895 1.00 0.00 H new ATOM 0 HZ PHE A 134 1.811 -9.652 -7.118 1.00 0.00 H new ATOM 1769 N GLU A 135 -0.159 -12.581 0.763 1.00 0.00 N ATOM 1770 CA GLU A 135 -0.279 -13.532 1.908 1.00 0.00 C ATOM 1771 C GLU A 135 0.507 -12.968 3.143 1.00 0.00 C ATOM 1772 O GLU A 135 1.466 -12.195 3.040 1.00 0.00 O ATOM 1773 CB GLU A 135 0.321 -14.911 1.464 1.00 0.00 C ATOM 1774 CG GLU A 135 0.301 -16.085 2.484 1.00 0.00 C ATOM 1775 CD GLU A 135 1.051 -17.336 2.035 1.00 0.00 C ATOM 1776 OE1 GLU A 135 0.527 -18.434 1.890 1.00 0.00 O ATOM 1777 OE2 GLU A 135 2.381 -17.105 1.857 1.00 0.00 O ATOM 0 H GLU A 135 0.544 -11.859 0.919 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.324 -13.659 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.215 -15.236 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.357 -14.744 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 135 0.731 -15.739 3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -0.736 -16.353 2.687 1.00 0.00 H new ATOM 1785 N PHE A 136 0.079 -13.383 4.338 1.00 0.00 N ATOM 1786 CA PHE A 136 0.712 -12.989 5.632 1.00 0.00 C ATOM 1787 C PHE A 136 0.450 -14.167 6.623 1.00 0.00 C ATOM 1788 O PHE A 136 1.206 -15.141 6.657 1.00 0.00 O ATOM 1789 CB PHE A 136 0.351 -11.519 6.072 1.00 0.00 C ATOM 1790 CG PHE A 136 -1.105 -11.056 5.898 1.00 0.00 C ATOM 1791 CD1 PHE A 136 -1.471 -10.601 4.631 1.00 0.00 C ATOM 1792 CD2 PHE A 136 -2.085 -11.200 6.879 1.00 0.00 C ATOM 1793 CE1 PHE A 136 -2.801 -10.398 4.310 1.00 0.00 C ATOM 1794 CE2 PHE A 136 -3.429 -11.012 6.553 1.00 0.00 C ATOM 1795 CZ PHE A 136 -3.783 -10.611 5.262 1.00 0.00 C ATOM 0 H PHE A 136 -0.720 -14.006 4.452 1.00 0.00 H new ATOM 0 HA PHE A 136 1.794 -12.876 5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 136 0.614 -11.410 7.124 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.989 -10.835 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -0.707 -10.405 3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -1.805 -11.457 7.890 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -3.073 -10.073 3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -4.194 -11.176 7.297 1.00 0.00 H new ATOM 0 HZ PHE A 136 -4.823 -10.467 5.007 1.00 0.00 H new ATOM 1805 N LYS A 137 -0.663 -14.139 7.365 1.00 0.00 N ATOM 1806 CA LYS A 137 -1.105 -15.264 8.248 1.00 0.00 C ATOM 1807 C LYS A 137 -1.832 -16.406 7.439 1.00 0.00 C ATOM 1808 O LYS A 137 -3.033 -16.663 7.556 1.00 0.00 O ATOM 1809 CB LYS A 137 -1.963 -14.660 9.396 1.00 0.00 C ATOM 1810 CG LYS A 137 -1.202 -14.584 10.728 1.00 0.00 C ATOM 1811 CD LYS A 137 -2.050 -13.919 11.832 1.00 0.00 C ATOM 1812 CE LYS A 137 -1.343 -13.807 13.190 1.00 0.00 C ATOM 1813 NZ LYS A 137 -1.203 -15.125 13.847 1.00 0.00 N ATOM 0 H LYS A 137 -1.296 -13.339 7.381 1.00 0.00 H new ATOM 0 HA LYS A 137 -0.242 -15.764 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -2.290 -13.660 9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -2.861 -15.264 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -0.918 -15.588 11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -0.279 -14.020 10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -2.337 -12.921 11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -2.970 -14.489 11.960 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -0.357 -13.364 13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -1.906 -13.136 13.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -0.721 -15.008 14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -2.145 -15.537 14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -0.644 -15.758 13.240 1.00 0.00 H new ATOM 1826 N GLY A 138 -1.029 -17.102 6.629 1.00 0.00 N ATOM 1827 CA GLY A 138 -1.493 -18.217 5.742 1.00 0.00 C ATOM 1828 C GLY A 138 -0.632 -19.502 5.636 1.00 0.00 C ATOM 1829 O GLY A 138 -1.185 -20.565 5.349 1.00 0.00 O ATOM 0 H GLY A 138 -0.028 -16.920 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -2.486 -18.514 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -1.605 -17.812 4.736 1.00 0.00 H new