USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 631 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 83 SER OG : rot 180:sc= -0.115 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.467 USER MOD Single : A 12 THR OG1 : rot -18:sc= 0.211 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 34:sc= 0.0311 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.119 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -156:sc= 0.398 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 18:sc= 0.551 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot -34:sc= 0.0852 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -116:sc= -0.162 (180deg=-1.67!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -160:sc= -0.317 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 10 1.166 17.246 -4.845 1.00 0.00 N ATOM 101 CA GLY A 10 1.283 16.518 -6.095 1.00 0.00 C ATOM 102 C GLY A 10 1.661 15.065 -5.886 1.00 0.00 C ATOM 103 O GLY A 10 2.264 14.713 -4.871 1.00 0.00 O ATOM 0 HA2 GLY A 10 0.336 16.570 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.033 16.999 -6.723 1.00 0.00 H new ATOM 107 N ILE A 11 1.305 14.219 -6.847 1.00 0.00 N ATOM 108 CA ILE A 11 1.611 12.796 -6.762 1.00 0.00 C ATOM 109 C ILE A 11 2.309 12.308 -8.027 1.00 0.00 C ATOM 110 O ILE A 11 1.677 11.745 -8.922 1.00 0.00 O ATOM 111 CB ILE A 11 0.337 11.959 -6.537 1.00 0.00 C ATOM 112 CG1 ILE A 11 -0.541 12.605 -5.464 1.00 0.00 C ATOM 113 CG2 ILE A 11 0.702 10.535 -6.145 1.00 0.00 C ATOM 114 CD1 ILE A 11 -1.967 12.101 -5.466 1.00 0.00 C ATOM 0 H ILE A 11 0.805 14.494 -7.693 1.00 0.00 H new ATOM 0 HA ILE A 11 2.277 12.666 -5.909 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.228 11.925 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.100 12.419 -4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.546 13.685 -5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.208 9.956 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.291 10.078 -6.940 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.285 10.549 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.531 12.602 -4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.426 12.311 -6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.973 11.026 -5.288 1.00 0.00 H new ATOM 126 N THR A 12 3.619 12.525 -8.094 1.00 0.00 N ATOM 127 CA THR A 12 4.405 12.107 -9.248 1.00 0.00 C ATOM 128 C THR A 12 4.605 10.596 -9.259 1.00 0.00 C ATOM 129 O THR A 12 4.968 10.015 -10.282 1.00 0.00 O ATOM 130 CB THR A 12 5.782 12.796 -9.270 1.00 0.00 C ATOM 131 OG1 THR A 12 6.522 12.377 -10.421 1.00 0.00 O ATOM 132 CG2 THR A 12 6.569 12.472 -8.009 1.00 0.00 C ATOM 0 H THR A 12 4.158 12.988 -7.362 1.00 0.00 H new ATOM 0 HA THR A 12 3.845 12.403 -10.135 1.00 0.00 H new ATOM 0 HB THR A 12 5.624 13.874 -9.314 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.128 11.556 -10.782 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.538 12.970 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.017 12.820 -7.136 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.717 11.394 -7.939 1.00 0.00 H new ATOM 140 N LYS A 13 4.366 9.964 -8.115 1.00 0.00 N ATOM 141 CA LYS A 13 4.518 8.519 -7.992 1.00 0.00 C ATOM 142 C LYS A 13 3.293 7.898 -7.330 1.00 0.00 C ATOM 143 O LYS A 13 3.246 7.744 -6.109 1.00 0.00 O ATOM 144 CB LYS A 13 5.773 8.185 -7.183 1.00 0.00 C ATOM 145 CG LYS A 13 6.347 6.812 -7.490 1.00 0.00 C ATOM 146 CD LYS A 13 7.714 6.624 -6.854 1.00 0.00 C ATOM 147 CE LYS A 13 8.068 5.151 -6.719 1.00 0.00 C ATOM 148 NZ LYS A 13 8.783 4.641 -7.922 1.00 0.00 N ATOM 0 H LYS A 13 4.066 10.430 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 13 4.618 8.102 -8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.534 8.940 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.536 8.241 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.666 6.042 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.426 6.683 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.470 7.127 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.727 7.094 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.692 5.007 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.158 4.571 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.007 3.634 -7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.178 4.755 -8.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.664 5.177 -8.055 1.00 0.00 H new ATOM 162 N ARG A 14 2.303 7.541 -8.142 1.00 0.00 N ATOM 163 CA ARG A 14 1.078 6.936 -7.634 1.00 0.00 C ATOM 164 C ARG A 14 1.296 5.463 -7.303 1.00 0.00 C ATOM 165 O ARG A 14 2.314 4.876 -7.673 1.00 0.00 O ATOM 166 CB ARG A 14 -0.049 7.078 -8.659 1.00 0.00 C ATOM 167 CG ARG A 14 0.178 6.275 -9.929 1.00 0.00 C ATOM 168 CD ARG A 14 -0.837 6.632 -11.003 1.00 0.00 C ATOM 169 NE ARG A 14 -2.147 6.044 -10.736 1.00 0.00 N ATOM 170 CZ ARG A 14 -3.265 6.434 -11.338 1.00 0.00 C ATOM 171 NH1 ARG A 14 -3.231 7.407 -12.239 1.00 0.00 N ATOM 172 NH2 ARG A 14 -4.419 5.851 -11.041 1.00 0.00 N ATOM 0 H ARG A 14 2.326 7.660 -9.155 1.00 0.00 H new ATOM 0 HA ARG A 14 0.797 7.458 -6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.986 6.761 -8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.161 8.130 -8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.185 6.460 -10.303 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.112 5.210 -9.704 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.932 7.716 -11.066 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.476 6.287 -11.972 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.207 5.292 -10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.345 7.857 -12.471 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.090 7.705 -12.700 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.449 5.102 -10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.276 6.152 -11.504 1.00 0.00 H new ATOM 186 N LEU A 15 0.334 4.870 -6.604 1.00 0.00 N ATOM 187 CA LEU A 15 0.421 3.465 -6.222 1.00 0.00 C ATOM 188 C LEU A 15 0.507 2.570 -7.454 1.00 0.00 C ATOM 189 O LEU A 15 -0.205 2.778 -8.437 1.00 0.00 O ATOM 190 CB LEU A 15 -0.790 3.071 -5.375 1.00 0.00 C ATOM 191 CG LEU A 15 -0.833 3.642 -3.957 1.00 0.00 C ATOM 192 CD1 LEU A 15 -2.270 3.803 -3.489 1.00 0.00 C ATOM 193 CD2 LEU A 15 -0.054 2.752 -3.000 1.00 0.00 C ATOM 0 H LEU A 15 -0.515 5.340 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 15 1.328 3.329 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.692 3.386 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.823 1.984 -5.308 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.365 4.626 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.280 4.210 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.797 4.482 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.765 2.832 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.095 3.174 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.492 1.754 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.985 2.690 -3.325 1.00 0.00 H new ATOM 205 N LYS A 16 1.382 1.572 -7.394 1.00 0.00 N ATOM 206 CA LYS A 16 1.560 0.642 -8.503 1.00 0.00 C ATOM 207 C LYS A 16 0.790 -0.652 -8.257 1.00 0.00 C ATOM 208 O LYS A 16 0.735 -1.149 -7.131 1.00 0.00 O ATOM 209 CB LYS A 16 3.045 0.334 -8.704 1.00 0.00 C ATOM 210 CG LYS A 16 3.326 -0.543 -9.912 1.00 0.00 C ATOM 211 CD LYS A 16 3.552 0.288 -11.164 1.00 0.00 C ATOM 212 CE LYS A 16 3.423 -0.555 -12.424 1.00 0.00 C ATOM 213 NZ LYS A 16 3.689 0.242 -13.654 1.00 0.00 N ATOM 0 H LYS A 16 1.979 1.386 -6.588 1.00 0.00 H new ATOM 0 HA LYS A 16 1.168 1.112 -9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.591 1.271 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.430 -0.158 -7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.205 -1.159 -9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.489 -1.223 -10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.830 1.104 -11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.543 0.740 -11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.121 -1.391 -12.375 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.420 -0.979 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.591 -0.368 -14.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.007 1.025 -13.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.655 0.626 -13.617 1.00 0.00 H new ATOM 227 N THR A 17 0.198 -1.194 -9.316 1.00 0.00 N ATOM 228 CA THR A 17 -0.567 -2.430 -9.214 1.00 0.00 C ATOM 229 C THR A 17 0.334 -3.608 -8.861 1.00 0.00 C ATOM 230 O THR A 17 1.083 -4.102 -9.703 1.00 0.00 O ATOM 231 CB THR A 17 -1.309 -2.742 -10.529 1.00 0.00 C ATOM 232 OG1 THR A 17 -2.216 -1.679 -10.843 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.073 -4.053 -10.421 1.00 0.00 C ATOM 0 H THR A 17 0.234 -0.796 -10.255 1.00 0.00 H new ATOM 0 HA THR A 17 -1.298 -2.284 -8.418 1.00 0.00 H new ATOM 0 HB THR A 17 -0.570 -2.835 -11.325 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.682 -1.883 -11.680 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.589 -4.252 -11.361 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.376 -4.864 -10.211 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.803 -3.983 -9.614 1.00 0.00 H new ATOM 241 N MET A 18 0.256 -4.053 -7.612 1.00 0.00 N ATOM 242 CA MET A 18 1.064 -5.175 -7.148 1.00 0.00 C ATOM 243 C MET A 18 0.362 -6.501 -7.424 1.00 0.00 C ATOM 244 O MET A 18 -0.858 -6.547 -7.578 1.00 0.00 O ATOM 245 CB MET A 18 1.353 -5.039 -5.652 1.00 0.00 C ATOM 246 CG MET A 18 2.328 -6.080 -5.125 1.00 0.00 C ATOM 247 SD MET A 18 3.994 -5.867 -5.782 1.00 0.00 S ATOM 248 CE MET A 18 4.786 -5.008 -4.424 1.00 0.00 C ATOM 0 H MET A 18 -0.359 -3.654 -6.902 1.00 0.00 H new ATOM 0 HA MET A 18 2.007 -5.162 -7.695 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.755 -4.045 -5.457 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.416 -5.118 -5.100 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.361 -6.024 -4.037 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.965 -7.075 -5.382 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.826 -4.805 -4.679 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.268 -4.068 -4.237 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.747 -5.628 -3.529 1.00 0.00 H new ATOM 258 N GLU A 19 1.142 -7.576 -7.486 1.00 0.00 N ATOM 259 CA GLU A 19 0.593 -8.902 -7.745 1.00 0.00 C ATOM 260 C GLU A 19 1.313 -9.960 -6.914 1.00 0.00 C ATOM 261 O GLU A 19 2.512 -10.187 -7.080 1.00 0.00 O ATOM 262 CB GLU A 19 0.705 -9.243 -9.232 1.00 0.00 C ATOM 263 CG GLU A 19 -0.127 -10.446 -9.645 1.00 0.00 C ATOM 264 CD GLU A 19 0.449 -11.169 -10.848 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.688 -11.300 -10.924 1.00 0.00 O ATOM 266 OE2 GLU A 19 -0.341 -11.603 -11.712 1.00 0.00 O ATOM 0 H GLU A 19 2.154 -7.555 -7.361 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.459 -8.894 -7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.395 -8.378 -9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.750 -9.434 -9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.196 -11.140 -8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.142 -10.120 -9.873 1.00 0.00 H new ATOM 273 N VAL A 20 0.573 -10.605 -6.018 1.00 0.00 N ATOM 274 CA VAL A 20 1.139 -11.640 -5.160 1.00 0.00 C ATOM 275 C VAL A 20 0.152 -12.783 -4.953 1.00 0.00 C ATOM 276 O VAL A 20 -0.931 -12.797 -5.540 1.00 0.00 O ATOM 277 CB VAL A 20 1.545 -11.071 -3.788 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.333 -9.781 -3.956 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.316 -10.846 -2.920 1.00 0.00 C ATOM 0 H VAL A 20 -0.420 -10.429 -5.867 1.00 0.00 H new ATOM 0 HA VAL A 20 2.028 -12.019 -5.665 1.00 0.00 H new ATOM 0 HB VAL A 20 2.186 -11.797 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.611 -9.394 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.234 -9.978 -4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.720 -9.045 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.621 -10.444 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.353 -10.140 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.203 -11.793 -2.771 1.00 0.00 H new ATOM 289 N LEU A 21 0.532 -13.740 -4.114 1.00 0.00 N ATOM 290 CA LEU A 21 -0.321 -14.889 -3.827 1.00 0.00 C ATOM 291 C LEU A 21 -0.744 -14.901 -2.362 1.00 0.00 C ATOM 292 O LEU A 21 0.091 -14.789 -1.464 1.00 0.00 O ATOM 293 CB LEU A 21 0.409 -16.188 -4.170 1.00 0.00 C ATOM 294 CG LEU A 21 -0.360 -17.482 -3.898 1.00 0.00 C ATOM 295 CD1 LEU A 21 0.063 -18.569 -4.874 1.00 0.00 C ATOM 296 CD2 LEU A 21 -0.145 -17.938 -2.462 1.00 0.00 C ATOM 0 H LEU A 21 1.425 -13.744 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.217 -14.809 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.676 -16.163 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.341 -16.217 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.423 -17.288 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.494 -19.482 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.143 -18.243 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.130 -18.762 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.699 -18.860 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.917 -18.115 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.498 -17.166 -1.778 1.00 0.00 H new ATOM 308 N GLU A 22 -2.045 -15.039 -2.128 1.00 0.00 N ATOM 309 CA GLU A 22 -2.578 -15.068 -0.770 1.00 0.00 C ATOM 310 C GLU A 22 -1.601 -15.749 0.183 1.00 0.00 C ATOM 311 O GLU A 22 -1.136 -16.859 -0.075 1.00 0.00 O ATOM 312 CB GLU A 22 -3.925 -15.793 -0.742 1.00 0.00 C ATOM 313 CG GLU A 22 -4.417 -16.109 0.660 1.00 0.00 C ATOM 314 CD GLU A 22 -5.545 -17.122 0.668 1.00 0.00 C ATOM 315 OE1 GLU A 22 -6.715 -16.707 0.530 1.00 0.00 O ATOM 316 OE2 GLU A 22 -5.258 -18.329 0.812 1.00 0.00 O ATOM 0 H GLU A 22 -2.749 -15.132 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.721 -14.039 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.669 -15.179 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.840 -16.722 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.587 -16.490 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.756 -15.190 1.138 1.00 0.00 H new ATOM 323 N GLY A 23 -1.294 -15.076 1.288 1.00 0.00 N ATOM 324 CA GLY A 23 -0.374 -15.631 2.264 1.00 0.00 C ATOM 325 C GLY A 23 0.926 -14.854 2.342 1.00 0.00 C ATOM 326 O GLY A 23 1.423 -14.573 3.432 1.00 0.00 O ATOM 0 H GLY A 23 -1.666 -14.156 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.850 -15.637 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.159 -16.668 2.007 1.00 0.00 H new ATOM 330 N GLU A 24 1.478 -14.509 1.183 1.00 0.00 N ATOM 331 CA GLU A 24 2.729 -13.762 1.127 1.00 0.00 C ATOM 332 C GLU A 24 2.513 -12.307 1.530 1.00 0.00 C ATOM 333 O GLU A 24 1.379 -11.835 1.608 1.00 0.00 O ATOM 334 CB GLU A 24 3.326 -13.830 -0.281 1.00 0.00 C ATOM 335 CG GLU A 24 3.555 -15.247 -0.778 1.00 0.00 C ATOM 336 CD GLU A 24 4.643 -15.327 -1.832 1.00 0.00 C ATOM 337 OE1 GLU A 24 5.508 -14.427 -1.862 1.00 0.00 O ATOM 338 OE2 GLU A 24 4.628 -16.290 -2.626 1.00 0.00 O ATOM 0 H GLU A 24 1.079 -14.734 0.272 1.00 0.00 H new ATOM 0 HA GLU A 24 3.425 -14.216 1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.661 -13.314 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.275 -13.293 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.823 -15.885 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.625 -15.638 -1.191 1.00 0.00 H new ATOM 345 N SER A 25 3.610 -11.601 1.787 1.00 0.00 N ATOM 346 CA SER A 25 3.542 -10.201 2.187 1.00 0.00 C ATOM 347 C SER A 25 3.938 -9.286 1.033 1.00 0.00 C ATOM 348 O SER A 25 4.914 -9.546 0.327 1.00 0.00 O ATOM 349 CB SER A 25 4.453 -9.947 3.390 1.00 0.00 C ATOM 350 OG SER A 25 5.803 -10.245 3.079 1.00 0.00 O ATOM 0 H SER A 25 4.556 -11.976 1.725 1.00 0.00 H new ATOM 0 HA SER A 25 2.512 -9.979 2.467 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.369 -8.905 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.127 -10.557 4.232 1.00 0.00 H new ATOM 0 HG SER A 25 5.977 -10.031 2.139 1.00 0.00 H new ATOM 356 N CYS A 26 3.175 -8.214 0.846 1.00 0.00 N ATOM 357 CA CYS A 26 3.445 -7.260 -0.223 1.00 0.00 C ATOM 358 C CYS A 26 3.540 -5.840 0.326 1.00 0.00 C ATOM 359 O CYS A 26 2.757 -5.445 1.190 1.00 0.00 O ATOM 360 CB CYS A 26 2.352 -7.335 -1.290 1.00 0.00 C ATOM 361 SG CYS A 26 0.755 -6.677 -0.758 1.00 0.00 S ATOM 0 H CYS A 26 2.365 -7.984 1.421 1.00 0.00 H new ATOM 0 HA CYS A 26 4.402 -7.520 -0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.683 -6.787 -2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.223 -8.375 -1.590 1.00 0.00 H new ATOM 0 HG CYS A 26 -0.103 -6.782 -1.729 1.00 0.00 H new ATOM 367 N SER A 27 4.505 -5.079 -0.179 1.00 0.00 N ATOM 368 CA SER A 27 4.705 -3.704 0.265 1.00 0.00 C ATOM 369 C SER A 27 4.490 -2.725 -0.885 1.00 0.00 C ATOM 370 O SER A 27 4.951 -2.952 -2.004 1.00 0.00 O ATOM 371 CB SER A 27 6.113 -3.532 0.840 1.00 0.00 C ATOM 372 OG SER A 27 7.084 -3.494 -0.192 1.00 0.00 O ATOM 0 H SER A 27 5.161 -5.391 -0.896 1.00 0.00 H new ATOM 0 HA SER A 27 3.973 -3.489 1.043 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.161 -2.612 1.423 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.334 -4.354 1.521 1.00 0.00 H new ATOM 0 HG SER A 27 7.975 -3.382 0.201 1.00 0.00 H new ATOM 378 N PHE A 28 3.786 -1.634 -0.601 1.00 0.00 N ATOM 379 CA PHE A 28 3.508 -0.620 -1.611 1.00 0.00 C ATOM 380 C PHE A 28 4.358 0.626 -1.379 1.00 0.00 C ATOM 381 O PHE A 28 4.888 0.833 -0.288 1.00 0.00 O ATOM 382 CB PHE A 28 2.024 -0.248 -1.596 1.00 0.00 C ATOM 383 CG PHE A 28 1.148 -1.251 -2.291 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.694 -2.376 -1.622 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.777 -1.068 -3.613 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.111 -3.301 -2.260 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.029 -1.989 -4.256 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.474 -3.106 -3.578 1.00 0.00 C ATOM 0 H PHE A 28 3.398 -1.430 0.320 1.00 0.00 H new ATOM 0 HA PHE A 28 3.762 -1.036 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.694 -0.144 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.897 0.725 -2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.972 -2.532 -0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.122 -0.195 -4.148 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.456 -4.175 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.310 -1.835 -5.287 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.105 -3.826 -4.077 1.00 0.00 H new ATOM 398 N GLU A 29 4.482 1.452 -2.413 1.00 0.00 N ATOM 399 CA GLU A 29 5.269 2.676 -2.322 1.00 0.00 C ATOM 400 C GLU A 29 4.549 3.837 -3.002 1.00 0.00 C ATOM 401 O GLU A 29 3.957 3.675 -4.070 1.00 0.00 O ATOM 402 CB GLU A 29 6.645 2.473 -2.958 1.00 0.00 C ATOM 403 CG GLU A 29 7.371 1.237 -2.455 1.00 0.00 C ATOM 404 CD GLU A 29 8.746 1.075 -3.074 1.00 0.00 C ATOM 405 OE1 GLU A 29 8.829 0.985 -4.317 1.00 0.00 O ATOM 406 OE2 GLU A 29 9.738 1.037 -2.317 1.00 0.00 O ATOM 0 H GLU A 29 4.048 1.296 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 29 5.397 2.917 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.529 2.401 -4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.260 3.351 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.469 1.294 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.771 0.354 -2.675 1.00 0.00 H new ATOM 413 N CYS A 30 4.603 5.007 -2.376 1.00 0.00 N ATOM 414 CA CYS A 30 3.955 6.196 -2.919 1.00 0.00 C ATOM 415 C CYS A 30 4.773 7.447 -2.618 1.00 0.00 C ATOM 416 O CYS A 30 5.235 7.644 -1.493 1.00 0.00 O ATOM 417 CB CYS A 30 2.546 6.343 -2.343 1.00 0.00 C ATOM 418 SG CYS A 30 1.735 7.903 -2.765 1.00 0.00 S ATOM 0 H CYS A 30 5.089 5.158 -1.492 1.00 0.00 H new ATOM 0 HA CYS A 30 3.887 6.080 -4.001 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.931 5.518 -2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.598 6.255 -1.258 1.00 0.00 H new ATOM 0 HG CYS A 30 0.825 8.173 -1.877 1.00 0.00 H new ATOM 424 N VAL A 31 4.951 8.290 -3.630 1.00 0.00 N ATOM 425 CA VAL A 31 5.715 9.522 -3.474 1.00 0.00 C ATOM 426 C VAL A 31 4.970 10.710 -4.073 1.00 0.00 C ATOM 427 O VAL A 31 4.212 10.561 -5.032 1.00 0.00 O ATOM 428 CB VAL A 31 7.101 9.412 -4.137 1.00 0.00 C ATOM 429 CG1 VAL A 31 7.956 10.622 -3.793 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.791 8.124 -3.715 1.00 0.00 C ATOM 0 H VAL A 31 4.576 8.142 -4.567 1.00 0.00 H new ATOM 0 HA VAL A 31 5.845 9.680 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 31 6.967 9.389 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.931 10.526 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.465 11.528 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.085 10.681 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.769 8.062 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.915 8.115 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.185 7.270 -4.018 1.00 0.00 H new ATOM 440 N LEU A 32 5.192 11.889 -3.503 1.00 0.00 N ATOM 441 CA LEU A 32 4.543 13.104 -3.981 1.00 0.00 C ATOM 442 C LEU A 32 5.415 13.821 -5.007 1.00 0.00 C ATOM 443 O LEU A 32 6.574 13.458 -5.212 1.00 0.00 O ATOM 444 CB LEU A 32 4.241 14.040 -2.809 1.00 0.00 C ATOM 445 CG LEU A 32 3.345 13.470 -1.709 1.00 0.00 C ATOM 446 CD1 LEU A 32 3.291 14.418 -0.521 1.00 0.00 C ATOM 447 CD2 LEU A 32 1.946 13.203 -2.245 1.00 0.00 C ATOM 0 H LEU A 32 5.817 12.029 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 32 3.607 12.820 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.186 14.343 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.771 14.942 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 32 3.770 12.524 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.649 13.996 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.295 14.558 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.890 15.380 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.322 12.798 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.511 14.134 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.001 12.485 -3.064 1.00 0.00 H new ATOM 459 N SER A 33 4.852 14.841 -5.647 1.00 0.00 N ATOM 460 CA SER A 33 5.578 15.607 -6.653 1.00 0.00 C ATOM 461 C SER A 33 6.652 16.475 -6.003 1.00 0.00 C ATOM 462 O SER A 33 7.680 16.772 -6.614 1.00 0.00 O ATOM 463 CB SER A 33 4.612 16.484 -7.451 1.00 0.00 C ATOM 464 OG SER A 33 5.309 17.290 -8.386 1.00 0.00 O ATOM 0 H SER A 33 3.895 15.156 -5.487 1.00 0.00 H new ATOM 0 HA SER A 33 6.063 14.904 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.892 15.855 -7.974 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.045 17.119 -6.770 1.00 0.00 H new ATOM 0 HG SER A 33 4.669 17.840 -8.885 1.00 0.00 H new ATOM 470 N HIS A 34 6.406 16.879 -4.761 1.00 0.00 N ATOM 471 CA HIS A 34 7.352 17.712 -4.027 1.00 0.00 C ATOM 472 C HIS A 34 7.658 17.111 -2.659 1.00 0.00 C ATOM 473 O HIS A 34 6.925 16.252 -2.170 1.00 0.00 O ATOM 474 CB HIS A 34 6.796 19.127 -3.863 1.00 0.00 C ATOM 475 CG HIS A 34 7.169 20.051 -4.981 1.00 0.00 C ATOM 476 ND1 HIS A 34 6.254 20.541 -5.889 1.00 0.00 N ATOM 477 CD2 HIS A 34 8.366 20.575 -5.335 1.00 0.00 C ATOM 478 CE1 HIS A 34 6.873 21.326 -6.754 1.00 0.00 C ATOM 479 NE2 HIS A 34 8.155 21.363 -6.439 1.00 0.00 N ATOM 0 H HIS A 34 5.560 16.643 -4.242 1.00 0.00 H new ATOM 0 HA HIS A 34 8.279 17.757 -4.599 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.710 19.076 -3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.157 19.544 -2.923 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.311 20.405 -4.841 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.409 21.848 -7.578 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.872 21.892 -6.936 1.00 0.00 H new ATOM 547 N PRO A 40 1.744 13.165 8.335 1.00 0.00 N ATOM 548 CA PRO A 40 1.081 11.884 8.593 1.00 0.00 C ATOM 549 C PRO A 40 0.280 11.393 7.391 1.00 0.00 C ATOM 550 O PRO A 40 0.066 12.133 6.432 1.00 0.00 O ATOM 551 CB PRO A 40 0.148 12.197 9.765 1.00 0.00 C ATOM 552 CG PRO A 40 -0.114 13.660 9.660 1.00 0.00 C ATOM 553 CD PRO A 40 1.145 14.267 9.105 1.00 0.00 C ATOM 0 HA PRO A 40 1.797 11.089 8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.777 11.623 9.699 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.612 11.945 10.719 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.964 13.858 9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.355 14.084 10.635 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.931 15.129 8.473 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.809 14.610 9.898 1.00 0.00 H new ATOM 561 N ALA A 41 -0.159 10.140 7.451 1.00 0.00 N ATOM 562 CA ALA A 41 -0.938 9.552 6.369 1.00 0.00 C ATOM 563 C ALA A 41 -2.001 8.602 6.911 1.00 0.00 C ATOM 564 O ALA A 41 -1.955 8.203 8.074 1.00 0.00 O ATOM 565 CB ALA A 41 -0.023 8.823 5.396 1.00 0.00 C ATOM 0 H ALA A 41 0.012 9.513 8.237 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.445 10.359 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.618 8.389 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.695 9.527 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.510 8.031 5.922 1.00 0.00 H new ATOM 571 N MET A 42 -2.958 8.245 6.060 1.00 0.00 N ATOM 572 CA MET A 42 -4.033 7.342 6.455 1.00 0.00 C ATOM 573 C MET A 42 -4.147 6.174 5.480 1.00 0.00 C ATOM 574 O MET A 42 -4.951 6.208 4.548 1.00 0.00 O ATOM 575 CB MET A 42 -5.362 8.096 6.524 1.00 0.00 C ATOM 576 CG MET A 42 -6.500 7.269 7.102 1.00 0.00 C ATOM 577 SD MET A 42 -7.987 8.245 7.395 1.00 0.00 S ATOM 578 CE MET A 42 -9.253 6.987 7.242 1.00 0.00 C ATOM 0 H MET A 42 -3.011 8.567 5.094 1.00 0.00 H new ATOM 0 HA MET A 42 -3.797 6.946 7.443 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.231 8.992 7.130 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.636 8.426 5.522 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.734 6.453 6.419 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.176 6.817 8.039 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.234 7.437 7.398 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.210 6.547 6.246 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.087 6.211 7.989 1.00 0.00 H new ATOM 588 N TRP A 43 -3.339 5.144 5.700 1.00 0.00 N ATOM 589 CA TRP A 43 -3.349 3.966 4.840 1.00 0.00 C ATOM 590 C TRP A 43 -4.647 3.183 5.006 1.00 0.00 C ATOM 591 O TRP A 43 -4.973 2.725 6.102 1.00 0.00 O ATOM 592 CB TRP A 43 -2.153 3.068 5.156 1.00 0.00 C ATOM 593 CG TRP A 43 -0.867 3.560 4.563 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.088 4.310 5.186 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.399 3.338 3.228 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.123 4.568 4.319 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.848 3.982 3.112 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.911 2.656 2.121 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.588 3.963 1.933 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.175 2.639 0.951 1.00 0.00 C ATOM 601 CH2 TRP A 43 1.063 3.288 0.864 1.00 0.00 C ATOM 0 H TRP A 43 -2.668 5.100 6.467 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.278 4.301 3.805 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.040 2.992 6.238 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.355 2.063 4.785 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.038 4.651 6.210 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.960 5.108 4.539 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.864 2.151 2.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.543 4.463 1.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.561 2.116 0.089 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.614 3.255 -0.064 1.00 0.00 H new ATOM 612 N THR A 44 -5.386 3.031 3.911 1.00 0.00 N ATOM 613 CA THR A 44 -6.649 2.304 3.937 1.00 0.00 C ATOM 614 C THR A 44 -6.679 1.218 2.867 1.00 0.00 C ATOM 615 O THR A 44 -6.656 1.510 1.671 1.00 0.00 O ATOM 616 CB THR A 44 -7.846 3.249 3.726 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.572 4.156 2.652 1.00 0.00 O ATOM 618 CG2 THR A 44 -8.145 4.034 4.995 1.00 0.00 C ATOM 0 H THR A 44 -5.131 3.402 2.996 1.00 0.00 H new ATOM 0 HA THR A 44 -6.729 1.844 4.922 1.00 0.00 H new ATOM 0 HB THR A 44 -8.718 2.645 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.837 3.805 2.107 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.994 4.695 4.822 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.382 3.342 5.803 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.273 4.628 5.269 1.00 0.00 H new ATOM 626 N VAL A 45 -6.732 -0.036 3.304 1.00 0.00 N ATOM 627 CA VAL A 45 -6.768 -1.166 2.383 1.00 0.00 C ATOM 628 C VAL A 45 -7.933 -2.096 2.700 1.00 0.00 C ATOM 629 O VAL A 45 -8.080 -2.562 3.829 1.00 0.00 O ATOM 630 CB VAL A 45 -5.455 -1.971 2.431 1.00 0.00 C ATOM 631 CG1 VAL A 45 -5.073 -2.284 3.870 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.584 -3.248 1.615 1.00 0.00 C ATOM 0 H VAL A 45 -6.751 -0.295 4.290 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.897 -0.755 1.382 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.661 -1.366 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.143 -2.853 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.937 -1.353 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.864 -2.870 4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.648 -3.804 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.389 -3.860 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.807 -2.996 0.578 1.00 0.00 H new ATOM 642 N GLY A 46 -8.760 -2.363 1.694 1.00 0.00 N ATOM 643 CA GLY A 46 -9.903 -3.238 1.885 1.00 0.00 C ATOM 644 C GLY A 46 -11.074 -2.528 2.534 1.00 0.00 C ATOM 645 O GLY A 46 -12.224 -2.726 2.143 1.00 0.00 O ATOM 0 H GLY A 46 -8.659 -1.989 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.215 -3.639 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.608 -4.086 2.503 1.00 0.00 H new ATOM 649 N GLY A 47 -10.782 -1.698 3.531 1.00 0.00 N ATOM 650 CA GLY A 47 -11.831 -0.970 4.221 1.00 0.00 C ATOM 651 C GLY A 47 -11.618 -0.929 5.722 1.00 0.00 C ATOM 652 O GLY A 47 -12.539 -1.191 6.495 1.00 0.00 O ATOM 0 H GLY A 47 -9.838 -1.517 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.876 0.049 3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.793 -1.435 4.006 1.00 0.00 H new ATOM 656 N LYS A 48 -10.398 -0.601 6.135 1.00 0.00 N ATOM 657 CA LYS A 48 -10.065 -0.526 7.553 1.00 0.00 C ATOM 658 C LYS A 48 -8.753 0.222 7.765 1.00 0.00 C ATOM 659 O LYS A 48 -7.818 0.094 6.973 1.00 0.00 O ATOM 660 CB LYS A 48 -9.964 -1.932 8.148 1.00 0.00 C ATOM 661 CG LYS A 48 -8.986 -2.834 7.417 1.00 0.00 C ATOM 662 CD LYS A 48 -9.118 -4.280 7.865 1.00 0.00 C ATOM 663 CE LYS A 48 -10.253 -4.987 7.140 1.00 0.00 C ATOM 664 NZ LYS A 48 -10.758 -6.158 7.910 1.00 0.00 N ATOM 0 H LYS A 48 -9.624 -0.383 5.508 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.860 0.021 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.662 -1.854 9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.951 -2.394 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.161 -2.768 6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.968 -2.488 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.182 -4.807 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.294 -4.314 8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.069 -4.285 6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.908 -5.318 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.531 -6.613 7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.986 -6.840 8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.111 -5.839 8.835 1.00 0.00 H new ATOM 678 N THR A 49 -8.689 1.003 8.839 1.00 0.00 N ATOM 679 CA THR A 49 -7.491 1.771 9.155 1.00 0.00 C ATOM 680 C THR A 49 -6.355 0.859 9.603 1.00 0.00 C ATOM 681 O THR A 49 -6.491 0.111 10.571 1.00 0.00 O ATOM 682 CB THR A 49 -7.765 2.810 10.258 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.833 3.677 9.860 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.519 3.633 10.549 1.00 0.00 C ATOM 0 H THR A 49 -9.453 1.120 9.505 1.00 0.00 H new ATOM 0 HA THR A 49 -7.198 2.289 8.242 1.00 0.00 H new ATOM 0 HB THR A 49 -8.049 2.277 11.165 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.002 4.334 10.568 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.738 4.360 11.331 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.717 2.974 10.880 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.209 4.156 9.644 1.00 0.00 H new ATOM 692 N VAL A 50 -5.233 0.926 8.893 1.00 0.00 N ATOM 693 CA VAL A 50 -4.072 0.107 9.218 1.00 0.00 C ATOM 694 C VAL A 50 -2.981 0.940 9.882 1.00 0.00 C ATOM 695 O VAL A 50 -2.955 2.164 9.754 1.00 0.00 O ATOM 696 CB VAL A 50 -3.492 -0.570 7.962 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.460 -1.613 7.424 1.00 0.00 C ATOM 698 CG2 VAL A 50 -3.168 0.468 6.899 1.00 0.00 C ATOM 0 H VAL A 50 -5.104 1.540 8.089 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.412 -0.662 9.912 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.566 -1.075 8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.034 -2.081 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.637 -2.372 8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.404 -1.134 7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.759 -0.028 6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.077 1.004 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.435 1.174 7.291 1.00 0.00 H new ATOM 772 N PHE A 56 0.428 -4.319 9.829 1.00 0.00 N ATOM 773 CA PHE A 56 0.821 -3.298 8.865 1.00 0.00 C ATOM 774 C PHE A 56 1.941 -2.425 9.424 1.00 0.00 C ATOM 775 O PHE A 56 1.730 -1.650 10.357 1.00 0.00 O ATOM 776 CB PHE A 56 -0.381 -2.428 8.491 1.00 0.00 C ATOM 777 CG PHE A 56 -1.338 -3.101 7.549 1.00 0.00 C ATOM 778 CD1 PHE A 56 -2.355 -3.908 8.033 1.00 0.00 C ATOM 779 CD2 PHE A 56 -1.220 -2.928 6.180 1.00 0.00 C ATOM 780 CE1 PHE A 56 -3.238 -4.528 7.169 1.00 0.00 C ATOM 781 CE2 PHE A 56 -2.100 -3.545 5.311 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.109 -4.347 5.806 1.00 0.00 C ATOM 0 HA PHE A 56 1.188 -3.801 7.970 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.914 -2.149 9.400 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.023 -1.505 8.035 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.459 -4.054 9.098 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.431 -2.304 5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.028 -5.153 7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.998 -3.400 4.246 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.796 -4.832 5.128 1.00 0.00 H new ATOM 792 N GLN A 57 3.131 -2.557 8.847 1.00 0.00 N ATOM 793 CA GLN A 57 4.284 -1.781 9.288 1.00 0.00 C ATOM 794 C GLN A 57 4.474 -0.545 8.416 1.00 0.00 C ATOM 795 O GLN A 57 5.164 -0.592 7.398 1.00 0.00 O ATOM 796 CB GLN A 57 5.547 -2.642 9.256 1.00 0.00 C ATOM 797 CG GLN A 57 6.769 -1.952 9.841 1.00 0.00 C ATOM 798 CD GLN A 57 6.760 -1.935 11.357 1.00 0.00 C ATOM 799 OE1 GLN A 57 7.170 -2.900 12.002 1.00 0.00 O ATOM 800 NE2 GLN A 57 6.290 -0.835 11.934 1.00 0.00 N ATOM 0 H GLN A 57 3.322 -3.194 8.073 1.00 0.00 H new ATOM 0 HA GLN A 57 4.101 -1.455 10.312 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.362 -3.564 9.807 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.758 -2.924 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.669 -2.458 9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.816 -0.928 9.470 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.960 -0.059 11.360 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.259 -0.766 12.951 1.00 0.00 H new ATOM 809 N ALA A 58 3.858 0.561 8.821 1.00 0.00 N ATOM 810 CA ALA A 58 3.961 1.810 8.077 1.00 0.00 C ATOM 811 C ALA A 58 5.325 2.461 8.284 1.00 0.00 C ATOM 812 O ALA A 58 5.752 2.686 9.417 1.00 0.00 O ATOM 813 CB ALA A 58 2.851 2.764 8.491 1.00 0.00 C ATOM 0 H ALA A 58 3.282 0.617 9.661 1.00 0.00 H new ATOM 0 HA ALA A 58 3.853 1.583 7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.940 3.693 7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.883 2.307 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.933 2.977 9.557 1.00 0.00 H new ATOM 819 N THR A 59 6.005 2.761 7.182 1.00 0.00 N ATOM 820 CA THR A 59 7.321 3.384 7.243 1.00 0.00 C ATOM 821 C THR A 59 7.436 4.526 6.239 1.00 0.00 C ATOM 822 O THR A 59 6.514 4.778 5.463 1.00 0.00 O ATOM 823 CB THR A 59 8.440 2.362 6.969 1.00 0.00 C ATOM 824 OG1 THR A 59 8.332 1.863 5.631 1.00 0.00 O ATOM 825 CG2 THR A 59 8.369 1.205 7.954 1.00 0.00 C ATOM 0 H THR A 59 5.666 2.583 6.237 1.00 0.00 H new ATOM 0 HA THR A 59 7.437 3.778 8.253 1.00 0.00 H new ATOM 0 HB THR A 59 9.399 2.865 7.092 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.387 1.810 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.169 0.496 7.741 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.481 1.584 8.970 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.406 0.704 7.858 1.00 0.00 H new ATOM 833 N ARG A 60 8.572 5.214 6.260 1.00 0.00 N ATOM 834 CA ARG A 60 8.806 6.330 5.351 1.00 0.00 C ATOM 835 C ARG A 60 10.279 6.413 4.960 1.00 0.00 C ATOM 836 O ARG A 60 11.162 6.339 5.814 1.00 0.00 O ATOM 837 CB ARG A 60 8.365 7.644 5.999 1.00 0.00 C ATOM 838 CG ARG A 60 6.930 8.029 5.678 1.00 0.00 C ATOM 839 CD ARG A 60 6.288 8.791 6.827 1.00 0.00 C ATOM 840 NE ARG A 60 6.211 7.986 8.043 1.00 0.00 N ATOM 841 CZ ARG A 60 5.541 8.356 9.128 1.00 0.00 C ATOM 842 NH1 ARG A 60 4.892 9.512 9.149 1.00 0.00 N ATOM 843 NH2 ARG A 60 5.518 7.568 10.196 1.00 0.00 N ATOM 0 H ARG A 60 9.345 5.019 6.896 1.00 0.00 H new ATOM 0 HA ARG A 60 8.217 6.161 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.477 7.562 7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.029 8.443 5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.909 8.642 4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.350 7.131 5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.862 9.696 7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.286 9.107 6.537 1.00 0.00 H new ATOM 0 HE ARG A 60 6.699 7.090 8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.906 10.120 8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.378 9.793 9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.015 6.678 10.184 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.003 7.853 11.029 1.00 0.00 H new ATOM 857 N GLN A 61 10.534 6.567 3.665 1.00 0.00 N ATOM 858 CA GLN A 61 11.899 6.659 3.161 1.00 0.00 C ATOM 859 C GLN A 61 12.032 7.792 2.149 1.00 0.00 C ATOM 860 O GLN A 61 11.740 7.619 0.967 1.00 0.00 O ATOM 861 CB GLN A 61 12.319 5.335 2.520 1.00 0.00 C ATOM 862 CG GLN A 61 13.810 5.055 2.623 1.00 0.00 C ATOM 863 CD GLN A 61 14.165 3.634 2.231 1.00 0.00 C ATOM 864 OE1 GLN A 61 13.802 3.167 1.151 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.878 2.938 3.108 1.00 0.00 N ATOM 0 H GLN A 61 9.814 6.631 2.946 1.00 0.00 H new ATOM 0 HA GLN A 61 12.556 6.871 4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.771 4.521 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.031 5.342 1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.352 5.751 1.982 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.141 5.239 3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.158 3.365 3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.146 1.976 2.899 1.00 0.00 H new ATOM 874 N GLY A 62 12.473 8.954 2.622 1.00 0.00 N ATOM 875 CA GLY A 62 12.636 10.098 1.745 1.00 0.00 C ATOM 876 C GLY A 62 11.337 10.506 1.078 1.00 0.00 C ATOM 877 O GLY A 62 10.997 10.004 0.007 1.00 0.00 O ATOM 0 H GLY A 62 12.720 9.123 3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.026 10.939 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.376 9.863 0.980 1.00 0.00 H new ATOM 881 N ARG A 63 10.609 11.419 1.713 1.00 0.00 N ATOM 882 CA ARG A 63 9.339 11.892 1.176 1.00 0.00 C ATOM 883 C ARG A 63 8.581 10.757 0.493 1.00 0.00 C ATOM 884 O ARG A 63 8.041 10.926 -0.600 1.00 0.00 O ATOM 885 CB ARG A 63 9.574 13.032 0.183 1.00 0.00 C ATOM 886 CG ARG A 63 10.680 12.749 -0.820 1.00 0.00 C ATOM 887 CD ARG A 63 11.046 13.994 -1.612 1.00 0.00 C ATOM 888 NE ARG A 63 10.192 14.166 -2.785 1.00 0.00 N ATOM 889 CZ ARG A 63 10.153 13.308 -3.798 1.00 0.00 C ATOM 890 NH1 ARG A 63 10.915 12.223 -3.782 1.00 0.00 N ATOM 891 NH2 ARG A 63 9.350 13.534 -4.830 1.00 0.00 N ATOM 0 H ARG A 63 10.877 11.846 2.600 1.00 0.00 H new ATOM 0 HA ARG A 63 8.737 12.260 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.648 13.229 -0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.820 13.939 0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.561 12.377 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.360 11.963 -1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.961 14.871 -0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.087 13.930 -1.928 1.00 0.00 H new ATOM 0 HE ARG A 63 9.593 14.990 -2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.533 12.046 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.883 11.566 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.762 14.367 -4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.321 12.874 -5.608 1.00 0.00 H new ATOM 905 N LYS A 64 8.546 9.600 1.145 1.00 0.00 N ATOM 906 CA LYS A 64 7.854 8.436 0.603 1.00 0.00 C ATOM 907 C LYS A 64 7.122 7.677 1.704 1.00 0.00 C ATOM 908 O LYS A 64 7.492 7.753 2.876 1.00 0.00 O ATOM 909 CB LYS A 64 8.848 7.508 -0.098 1.00 0.00 C ATOM 910 CG LYS A 64 8.210 6.250 -0.663 1.00 0.00 C ATOM 911 CD LYS A 64 9.259 5.238 -1.092 1.00 0.00 C ATOM 912 CE LYS A 64 9.876 5.608 -2.432 1.00 0.00 C ATOM 913 NZ LYS A 64 10.989 6.585 -2.279 1.00 0.00 N ATOM 0 H LYS A 64 8.989 9.443 2.050 1.00 0.00 H new ATOM 0 HA LYS A 64 7.119 8.786 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.334 8.054 -0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.628 7.224 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.557 5.803 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.584 6.510 -1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.040 5.179 -0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.806 4.249 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.248 4.708 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.109 6.030 -3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.735 7.477 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.159 6.762 -1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.852 6.199 -2.713 1.00 0.00 H new ATOM 927 N TYR A 65 6.082 6.944 1.321 1.00 0.00 N ATOM 928 CA TYR A 65 5.298 6.171 2.276 1.00 0.00 C ATOM 929 C TYR A 65 5.252 4.699 1.879 1.00 0.00 C ATOM 930 O TYR A 65 4.547 4.319 0.943 1.00 0.00 O ATOM 931 CB TYR A 65 3.877 6.730 2.371 1.00 0.00 C ATOM 932 CG TYR A 65 3.824 8.178 2.802 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.099 9.201 1.902 1.00 0.00 C ATOM 934 CD2 TYR A 65 3.498 8.524 4.107 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.053 10.526 2.290 1.00 0.00 C ATOM 936 CE2 TYR A 65 3.448 9.847 4.504 1.00 0.00 C ATOM 937 CZ TYR A 65 3.726 10.843 3.592 1.00 0.00 C ATOM 938 OH TYR A 65 3.678 12.162 3.984 1.00 0.00 O ATOM 0 H TYR A 65 5.763 6.869 0.355 1.00 0.00 H new ATOM 0 HA TYR A 65 5.779 6.250 3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.391 6.630 1.401 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.305 6.128 3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.353 8.956 0.881 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.280 7.746 4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.272 11.309 1.579 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.193 10.099 5.523 1.00 0.00 H new ATOM 0 HH TYR A 65 3.432 12.213 4.931 1.00 0.00 H new ATOM 948 N ILE A 66 6.008 3.875 2.596 1.00 0.00 N ATOM 949 CA ILE A 66 6.053 2.444 2.321 1.00 0.00 C ATOM 950 C ILE A 66 5.254 1.660 3.356 1.00 0.00 C ATOM 951 O ILE A 66 5.568 1.683 4.546 1.00 0.00 O ATOM 952 CB ILE A 66 7.501 1.920 2.301 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.369 2.789 1.389 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.532 0.469 1.846 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.817 2.859 1.820 1.00 0.00 C ATOM 0 H ILE A 66 6.598 4.174 3.372 1.00 0.00 H new ATOM 0 HA ILE A 66 5.609 2.298 1.336 1.00 0.00 H new ATOM 0 HB ILE A 66 7.905 1.972 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.319 2.398 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.957 3.798 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.562 0.112 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.943 -0.140 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.113 0.393 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.372 3.492 1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.878 3.279 2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.246 1.857 1.819 1.00 0.00 H new ATOM 967 N LEU A 67 4.220 0.965 2.894 1.00 0.00 N ATOM 968 CA LEU A 67 3.376 0.170 3.779 1.00 0.00 C ATOM 969 C LEU A 67 3.608 -1.321 3.559 1.00 0.00 C ATOM 970 O LEU A 67 3.492 -1.820 2.440 1.00 0.00 O ATOM 971 CB LEU A 67 1.902 0.508 3.549 1.00 0.00 C ATOM 972 CG LEU A 67 0.891 -0.321 4.343 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.901 0.085 5.808 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.504 -0.168 3.754 1.00 0.00 C ATOM 0 H LEU A 67 3.946 0.936 1.912 1.00 0.00 H new ATOM 0 HA LEU A 67 3.642 0.412 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.749 1.560 3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.684 0.390 2.487 1.00 0.00 H new ATOM 0 HG LEU A 67 1.178 -1.370 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.176 -0.515 6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.895 -0.078 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.639 1.140 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.210 -0.765 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.801 0.880 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.501 -0.510 2.719 1.00 0.00 H new ATOM 986 N VAL A 68 3.935 -2.029 4.636 1.00 0.00 N ATOM 987 CA VAL A 68 4.180 -3.465 4.562 1.00 0.00 C ATOM 988 C VAL A 68 2.921 -4.255 4.899 1.00 0.00 C ATOM 989 O VAL A 68 2.319 -4.064 5.956 1.00 0.00 O ATOM 990 CB VAL A 68 5.312 -3.891 5.515 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.527 -5.395 5.450 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.596 -3.145 5.184 1.00 0.00 C ATOM 0 H VAL A 68 4.036 -1.632 5.570 1.00 0.00 H new ATOM 0 HA VAL A 68 4.478 -3.683 3.536 1.00 0.00 H new ATOM 0 HB VAL A 68 5.022 -3.634 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.331 -5.677 6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.609 -5.907 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.795 -5.681 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.385 -3.458 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.893 -3.369 4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.431 -2.073 5.288 1.00 0.00 H new ATOM 1002 N VAL A 69 2.527 -5.146 3.994 1.00 0.00 N ATOM 1003 CA VAL A 69 1.340 -5.968 4.196 1.00 0.00 C ATOM 1004 C VAL A 69 1.718 -7.403 4.546 1.00 0.00 C ATOM 1005 O VAL A 69 1.972 -8.221 3.662 1.00 0.00 O ATOM 1006 CB VAL A 69 0.443 -5.976 2.944 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.825 -6.774 3.201 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.111 -4.553 2.519 1.00 0.00 C ATOM 0 H VAL A 69 3.013 -5.317 3.114 1.00 0.00 H new ATOM 0 HA VAL A 69 0.788 -5.528 5.027 1.00 0.00 H new ATOM 0 HB VAL A 69 0.987 -6.457 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.446 -6.768 2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.563 -7.801 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.376 -6.325 4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.523 -4.577 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.414 -4.045 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.032 -4.017 2.291 1.00 0.00 H new ATOM 1018 N ARG A 70 1.754 -7.701 5.841 1.00 0.00 N ATOM 1019 CA ARG A 70 2.101 -9.037 6.308 1.00 0.00 C ATOM 1020 C ARG A 70 0.939 -10.004 6.104 1.00 0.00 C ATOM 1021 O ARG A 70 1.063 -11.201 6.359 1.00 0.00 O ATOM 1022 CB ARG A 70 2.493 -8.998 7.786 1.00 0.00 C ATOM 1023 CG ARG A 70 3.706 -8.129 8.072 1.00 0.00 C ATOM 1024 CD ARG A 70 4.989 -8.785 7.587 1.00 0.00 C ATOM 1025 NE ARG A 70 5.444 -9.835 8.494 1.00 0.00 N ATOM 1026 CZ ARG A 70 6.556 -10.538 8.307 1.00 0.00 C ATOM 1027 NH1 ARG A 70 7.322 -10.304 7.250 1.00 0.00 N ATOM 1028 NH2 ARG A 70 6.903 -11.477 9.178 1.00 0.00 N ATOM 0 H ARG A 70 1.547 -7.035 6.585 1.00 0.00 H new ATOM 0 HA ARG A 70 2.951 -9.389 5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.648 -8.630 8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.696 -10.013 8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.584 -7.161 7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.775 -7.940 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.827 -9.208 6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.768 -8.029 7.488 1.00 0.00 H new ATOM 0 HE ARG A 70 4.877 -10.040 9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.058 -9.583 6.578 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.175 -10.845 7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.316 -11.660 9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.757 -12.016 9.034 1.00 0.00 H new ATOM 1042 N GLU A 71 -0.190 -9.475 5.643 1.00 0.00 N ATOM 1043 CA GLU A 71 -1.375 -10.292 5.406 1.00 0.00 C ATOM 1044 C GLU A 71 -2.047 -9.908 4.091 1.00 0.00 C ATOM 1045 O GLU A 71 -2.666 -8.850 3.985 1.00 0.00 O ATOM 1046 CB GLU A 71 -2.366 -10.139 6.562 1.00 0.00 C ATOM 1047 CG GLU A 71 -1.837 -10.656 7.890 1.00 0.00 C ATOM 1048 CD GLU A 71 -0.683 -9.827 8.419 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -0.630 -8.618 8.115 1.00 0.00 O ATOM 1050 OE2 GLU A 71 0.169 -10.390 9.140 1.00 0.00 O ATOM 0 H GLU A 71 -0.309 -8.485 5.426 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.060 -11.334 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.626 -9.086 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.285 -10.671 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.644 -10.658 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.512 -11.690 7.770 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.920 -10.775 3.093 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.515 -10.528 1.785 1.00 0.00 C ATOM 1059 C ALA A 72 -3.692 -11.465 1.533 1.00 0.00 C ATOM 1060 O ALA A 72 -3.521 -12.565 1.009 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.470 -10.685 0.691 1.00 0.00 C ATOM 0 H ALA A 72 -1.410 -11.656 3.165 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.888 -9.504 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.929 -10.498 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.662 -9.972 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.069 -11.698 0.713 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.887 -11.020 1.909 1.00 0.00 N ATOM 1068 CA ALA A 73 -6.092 -11.818 1.722 1.00 0.00 C ATOM 1069 C ALA A 73 -6.773 -11.482 0.400 1.00 0.00 C ATOM 1070 O ALA A 73 -6.593 -10.402 -0.162 1.00 0.00 O ATOM 1071 CB ALA A 73 -7.053 -11.603 2.882 1.00 0.00 C ATOM 0 H ALA A 73 -5.046 -10.112 2.345 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.802 -12.868 1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.949 -12.205 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.571 -11.900 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.329 -10.550 2.936 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.574 -12.429 -0.112 1.00 0.00 N ATOM 1078 CA PRO A 74 -8.297 -12.256 -1.375 1.00 0.00 C ATOM 1079 C PRO A 74 -9.419 -11.229 -1.264 1.00 0.00 C ATOM 1080 O PRO A 74 -9.919 -10.731 -2.273 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.872 -13.649 -1.648 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.980 -14.284 -0.305 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.834 -13.741 0.504 1.00 0.00 C ATOM 0 HA PRO A 74 -7.649 -11.884 -2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.845 -13.587 -2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.221 -14.224 -2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.935 -14.046 0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.924 -15.370 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.096 -13.646 1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.960 -14.391 0.450 1.00 0.00 H new ATOM 1091 N SER A 75 -9.810 -10.917 -0.033 1.00 0.00 N ATOM 1092 CA SER A 75 -10.876 -9.952 0.209 1.00 0.00 C ATOM 1093 C SER A 75 -10.348 -8.524 0.110 1.00 0.00 C ATOM 1094 O SER A 75 -10.964 -7.664 -0.520 1.00 0.00 O ATOM 1095 CB SER A 75 -11.499 -10.183 1.587 1.00 0.00 C ATOM 1096 OG SER A 75 -12.518 -11.166 1.527 1.00 0.00 O ATOM 0 H SER A 75 -9.405 -11.318 0.813 1.00 0.00 H new ATOM 0 HA SER A 75 -11.640 -10.093 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.728 -10.497 2.290 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.913 -9.248 1.964 1.00 0.00 H new ATOM 0 HG SER A 75 -12.899 -11.297 2.420 1.00 0.00 H new ATOM 1102 N ASP A 76 -9.203 -8.279 0.737 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.590 -6.956 0.720 1.00 0.00 C ATOM 1104 C ASP A 76 -8.307 -6.506 -0.710 1.00 0.00 C ATOM 1105 O ASP A 76 -8.424 -5.325 -1.035 1.00 0.00 O ATOM 1106 CB ASP A 76 -7.294 -6.960 1.532 1.00 0.00 C ATOM 1107 CG ASP A 76 -7.528 -7.282 2.995 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -8.672 -7.109 3.465 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.568 -7.708 3.669 1.00 0.00 O ATOM 0 H ASP A 76 -8.680 -8.979 1.263 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.290 -6.253 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.605 -7.691 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.814 -5.985 1.450 1.00 0.00 H new ATOM 1114 N ALA A 77 -7.933 -7.457 -1.561 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.635 -7.159 -2.956 1.00 0.00 C ATOM 1116 C ALA A 77 -8.850 -6.570 -3.664 1.00 0.00 C ATOM 1117 O ALA A 77 -9.859 -7.249 -3.854 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.160 -8.414 -3.674 1.00 0.00 C ATOM 0 H ALA A 77 -7.829 -8.440 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.838 -6.416 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.941 -8.177 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.259 -8.791 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.940 -9.175 -3.631 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.748 -5.303 -4.052 1.00 0.00 N ATOM 1125 CA GLY A 78 -9.847 -4.644 -4.734 1.00 0.00 C ATOM 1126 C GLY A 78 -9.540 -3.197 -5.064 1.00 0.00 C ATOM 1127 O GLY A 78 -9.525 -2.811 -6.232 1.00 0.00 O ATOM 0 H GLY A 78 -7.924 -4.720 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.075 -5.183 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.738 -4.690 -4.108 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.297 -2.394 -4.032 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.992 -0.981 -4.220 1.00 0.00 C ATOM 1133 C GLU A 79 -8.182 -0.439 -3.046 1.00 0.00 C ATOM 1134 O GLU A 79 -8.687 -0.322 -1.929 1.00 0.00 O ATOM 1135 CB GLU A 79 -10.283 -0.175 -4.378 1.00 0.00 C ATOM 1136 CG GLU A 79 -10.061 1.230 -4.914 1.00 0.00 C ATOM 1137 CD GLU A 79 -11.286 1.788 -5.613 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -12.413 1.474 -5.174 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -11.119 2.537 -6.598 1.00 0.00 O ATOM 0 H GLU A 79 -9.306 -2.698 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.396 -0.881 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.955 -0.709 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.783 -0.111 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.785 1.889 -4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.222 1.221 -5.610 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.921 -0.109 -3.307 1.00 0.00 N ATOM 1147 CA VAL A 80 -6.039 0.421 -2.274 1.00 0.00 C ATOM 1148 C VAL A 80 -6.032 1.946 -2.288 1.00 0.00 C ATOM 1149 O VAL A 80 -5.559 2.566 -3.240 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.597 -0.090 -2.449 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.691 0.486 -1.372 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.565 -1.611 -2.427 1.00 0.00 C ATOM 0 H VAL A 80 -6.487 -0.199 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.426 0.070 -1.317 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.227 0.245 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.676 0.113 -1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.691 1.574 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.056 0.184 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.538 -1.955 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.954 -1.969 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.179 -2.000 -3.239 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.558 2.545 -1.224 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.611 3.997 -1.112 1.00 0.00 C ATOM 1164 C VAL A 81 -5.534 4.515 -0.165 1.00 0.00 C ATOM 1165 O VAL A 81 -5.374 4.010 0.946 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.988 4.473 -0.614 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -7.992 5.980 -0.409 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -9.080 4.056 -1.589 1.00 0.00 C ATOM 0 H VAL A 81 -6.954 2.046 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.436 4.397 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.190 4.000 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.974 6.297 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.237 6.249 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.768 6.476 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.047 4.400 -1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.884 4.499 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.092 2.970 -1.679 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.797 5.526 -0.612 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.734 6.113 0.195 1.00 0.00 C ATOM 1180 C PHE A 82 -3.934 7.618 0.347 1.00 0.00 C ATOM 1181 O PHE A 82 -3.745 8.379 -0.602 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.369 5.830 -0.437 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.243 6.590 0.203 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -0.892 6.355 1.523 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.536 7.541 -0.515 1.00 0.00 C ATOM 1186 CE1 PHE A 82 0.144 7.053 2.114 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.502 8.242 0.071 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.841 7.998 1.388 1.00 0.00 C ATOM 0 H PHE A 82 -4.916 5.956 -1.529 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.770 5.658 1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.161 4.762 -0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.409 6.080 -1.497 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.434 5.618 2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.799 7.737 -1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.408 6.859 3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.047 8.979 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.650 8.546 1.849 1.00 0.00 H new ATOM 1198 N SER A 83 -4.318 8.040 1.547 1.00 0.00 N ATOM 1199 CA SER A 83 -4.548 9.453 1.823 1.00 0.00 C ATOM 1200 C SER A 83 -3.359 10.064 2.558 1.00 0.00 C ATOM 1201 O SER A 83 -2.845 9.488 3.518 1.00 0.00 O ATOM 1202 CB SER A 83 -5.821 9.632 2.653 1.00 0.00 C ATOM 1203 OG SER A 83 -6.979 9.427 1.861 1.00 0.00 O ATOM 0 H SER A 83 -4.476 7.423 2.344 1.00 0.00 H new ATOM 0 HA SER A 83 -4.668 9.968 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.817 8.929 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.842 10.634 3.081 1.00 0.00 H new ATOM 0 HG SER A 83 -7.779 9.545 2.415 1.00 0.00 H new ATOM 1209 N VAL A 84 -2.926 11.235 2.101 1.00 0.00 N ATOM 1210 CA VAL A 84 -1.799 11.926 2.715 1.00 0.00 C ATOM 1211 C VAL A 84 -1.859 13.425 2.443 1.00 0.00 C ATOM 1212 O VAL A 84 -2.156 13.852 1.327 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.455 11.375 2.200 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.171 11.887 0.796 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.672 11.747 3.150 1.00 0.00 C ATOM 0 H VAL A 84 -3.339 11.725 1.307 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.867 11.752 3.789 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.520 10.288 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.782 11.488 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.966 11.565 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.125 12.976 0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.614 11.350 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.740 12.832 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.471 11.326 4.135 1.00 0.00 H new ATOM 1225 N ARG A 85 -1.574 14.219 3.470 1.00 0.00 N ATOM 1226 CA ARG A 85 -1.596 15.671 3.342 1.00 0.00 C ATOM 1227 C ARG A 85 -2.847 16.132 2.601 1.00 0.00 C ATOM 1228 O ARG A 85 -2.862 17.202 1.994 1.00 0.00 O ATOM 1229 CB ARG A 85 -0.346 16.159 2.608 1.00 0.00 C ATOM 1230 CG ARG A 85 0.954 15.670 3.226 1.00 0.00 C ATOM 1231 CD ARG A 85 2.089 16.652 2.985 1.00 0.00 C ATOM 1232 NE ARG A 85 1.919 17.884 3.751 1.00 0.00 N ATOM 1233 CZ ARG A 85 2.593 19.001 3.505 1.00 0.00 C ATOM 1234 NH1 ARG A 85 3.478 19.042 2.518 1.00 0.00 N ATOM 1235 NH2 ARG A 85 2.383 20.082 4.246 1.00 0.00 N ATOM 0 H ARG A 85 -1.325 13.881 4.400 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.610 16.099 4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.392 15.828 1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.345 17.249 2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.817 15.526 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.216 14.699 2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.036 16.185 3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.143 16.890 1.923 1.00 0.00 H new ATOM 0 HE ARG A 85 1.245 17.886 4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.642 18.214 1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.994 19.902 2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.703 20.055 5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.902 20.939 4.056 1.00 0.00 H new ATOM 1249 N GLY A 86 -3.896 15.317 2.656 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.137 15.658 1.985 1.00 0.00 C ATOM 1251 C GLY A 86 -5.317 14.906 0.682 1.00 0.00 C ATOM 1252 O GLY A 86 -6.437 14.547 0.313 1.00 0.00 O ATOM 0 H GLY A 86 -3.909 14.427 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.976 15.439 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.157 16.730 1.788 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.215 14.666 -0.019 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.256 13.953 -1.291 1.00 0.00 C ATOM 1258 C LEU A 87 -4.879 12.571 -1.120 1.00 0.00 C ATOM 1259 O LEU A 87 -5.024 12.076 -0.001 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.846 13.821 -1.870 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.360 14.991 -2.726 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.856 14.911 -2.936 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -3.087 15.012 -4.063 1.00 0.00 C ATOM 0 H LEU A 87 -3.281 14.955 0.272 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.873 14.527 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.147 13.686 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.806 12.914 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.583 15.919 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.529 15.752 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.351 14.946 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.608 13.977 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.728 15.851 -4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.896 14.081 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.158 15.119 -3.893 1.00 0.00 H new ATOM 1275 N THR A 88 -5.245 11.950 -2.237 1.00 0.00 N ATOM 1276 CA THR A 88 -5.851 10.625 -2.212 1.00 0.00 C ATOM 1277 C THR A 88 -5.672 9.913 -3.547 1.00 0.00 C ATOM 1278 O THR A 88 -6.087 10.417 -4.591 1.00 0.00 O ATOM 1279 CB THR A 88 -7.354 10.701 -1.881 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.580 11.672 -0.853 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.877 9.346 -1.429 1.00 0.00 C ATOM 0 H THR A 88 -5.132 12.344 -3.171 1.00 0.00 H new ATOM 0 HA THR A 88 -5.342 10.060 -1.431 1.00 0.00 H new ATOM 0 HB THR A 88 -7.889 10.997 -2.784 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.538 11.716 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.940 9.424 -1.201 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.729 8.615 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.337 9.026 -0.538 1.00 0.00 H new ATOM 1289 N SER A 89 -5.053 8.737 -3.508 1.00 0.00 N ATOM 1290 CA SER A 89 -4.817 7.956 -4.717 1.00 0.00 C ATOM 1291 C SER A 89 -5.489 6.590 -4.621 1.00 0.00 C ATOM 1292 O SER A 89 -5.891 6.157 -3.541 1.00 0.00 O ATOM 1293 CB SER A 89 -3.315 7.783 -4.952 1.00 0.00 C ATOM 1294 OG SER A 89 -2.798 8.837 -5.746 1.00 0.00 O ATOM 0 H SER A 89 -4.706 8.304 -2.652 1.00 0.00 H new ATOM 0 HA SER A 89 -5.250 8.496 -5.559 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.795 7.756 -3.995 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.128 6.828 -5.443 1.00 0.00 H new ATOM 0 HG SER A 89 -1.947 8.559 -6.144 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.608 5.916 -5.760 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.230 4.598 -5.807 1.00 0.00 C ATOM 1302 C LYS A 90 -5.440 3.656 -6.710 1.00 0.00 C ATOM 1303 O LYS A 90 -4.843 4.083 -7.698 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.672 4.710 -6.306 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.590 5.453 -5.351 1.00 0.00 C ATOM 1306 CD LYS A 90 -8.584 6.948 -5.622 1.00 0.00 C ATOM 1307 CE LYS A 90 -9.188 7.726 -4.463 1.00 0.00 C ATOM 1308 NZ LYS A 90 -10.675 7.763 -4.534 1.00 0.00 N ATOM 0 H LYS A 90 -5.282 6.261 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.232 4.188 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.676 5.219 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.069 3.709 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.605 5.069 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.276 5.267 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.561 7.284 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.145 7.156 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.881 7.271 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.799 8.744 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.048 8.302 -3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.969 8.220 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.048 6.793 -4.504 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.442 2.372 -6.365 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.729 1.370 -7.147 1.00 0.00 C ATOM 1324 C ALA A 91 -5.434 0.019 -7.081 1.00 0.00 C ATOM 1325 O ALA A 91 -6.372 -0.165 -6.306 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.294 1.243 -6.658 1.00 0.00 C ATOM 0 H ALA A 91 -5.930 2.002 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.720 1.695 -8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.773 0.491 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.788 2.203 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.292 0.944 -5.610 1.00 0.00 H new ATOM 1332 N SER A 92 -4.975 -0.922 -7.900 1.00 0.00 N ATOM 1333 CA SER A 92 -5.565 -2.256 -7.938 1.00 0.00 C ATOM 1334 C SER A 92 -4.575 -3.302 -7.436 1.00 0.00 C ATOM 1335 O SER A 92 -3.425 -3.346 -7.874 1.00 0.00 O ATOM 1336 CB SER A 92 -6.010 -2.599 -9.361 1.00 0.00 C ATOM 1337 OG SER A 92 -7.247 -1.980 -9.672 1.00 0.00 O ATOM 0 H SER A 92 -4.197 -0.786 -8.546 1.00 0.00 H new ATOM 0 HA SER A 92 -6.435 -2.261 -7.282 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.249 -2.275 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.104 -3.680 -9.465 1.00 0.00 H new ATOM 0 HG SER A 92 -7.509 -2.213 -10.587 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.031 -4.144 -6.515 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.186 -5.192 -5.952 1.00 0.00 C ATOM 1345 C LEU A 93 -4.680 -6.573 -6.371 1.00 0.00 C ATOM 1346 O LEU A 93 -5.879 -6.849 -6.344 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.160 -5.089 -4.426 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.671 -6.329 -3.677 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.179 -6.527 -3.890 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.990 -6.217 -2.194 1.00 0.00 C ATOM 0 H LEU A 93 -5.980 -4.122 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.175 -5.055 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.524 -4.248 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.167 -4.854 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.193 -7.199 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.849 -7.414 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.977 -6.654 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.640 -5.655 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.635 -7.108 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.497 -5.337 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.068 -6.125 -2.060 1.00 0.00 H new ATOM 1362 N ILE A 94 -3.747 -7.437 -6.757 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.087 -8.790 -7.178 1.00 0.00 C ATOM 1364 C ILE A 94 -3.633 -9.818 -6.147 1.00 0.00 C ATOM 1365 O ILE A 94 -2.437 -9.980 -5.901 1.00 0.00 O ATOM 1366 CB ILE A 94 -3.454 -9.132 -8.540 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -3.918 -8.138 -9.607 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -3.805 -10.555 -8.945 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -3.065 -6.892 -9.684 1.00 0.00 C ATOM 0 H ILE A 94 -2.750 -7.224 -6.787 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.172 -8.827 -7.271 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.370 -9.058 -8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.914 -8.632 -10.579 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.949 -7.851 -9.400 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.350 -10.781 -9.909 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.429 -11.250 -8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.888 -10.655 -9.022 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.452 -6.233 -10.461 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.089 -6.375 -8.725 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.038 -7.168 -9.921 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.595 -10.512 -5.547 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.294 -11.527 -4.545 1.00 0.00 C ATOM 1383 C VAL A 95 -4.924 -12.866 -4.912 1.00 0.00 C ATOM 1384 O VAL A 95 -6.130 -13.059 -4.759 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.793 -11.103 -3.150 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.567 -12.218 -2.141 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.103 -9.822 -2.705 1.00 0.00 C ATOM 0 H VAL A 95 -5.590 -10.390 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.210 -11.634 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.864 -10.910 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.925 -11.901 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.111 -13.109 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.503 -12.445 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.467 -9.537 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.026 -9.985 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.321 -9.025 -3.416 1.00 0.00 H new ATOM 1397 N ARG A 96 -4.099 -13.788 -5.396 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.575 -15.110 -5.786 1.00 0.00 C ATOM 1399 C ARG A 96 -4.598 -16.055 -4.588 1.00 0.00 C ATOM 1400 O ARG A 96 -3.551 -16.423 -4.057 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.689 -15.690 -6.890 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.641 -14.834 -8.145 1.00 0.00 C ATOM 1403 CD ARG A 96 -4.908 -14.986 -8.972 1.00 0.00 C ATOM 1404 NE ARG A 96 -4.962 -16.274 -9.659 1.00 0.00 N ATOM 1405 CZ ARG A 96 -4.207 -16.579 -10.708 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -3.344 -15.694 -11.188 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -4.313 -17.772 -11.279 1.00 0.00 N ATOM 0 H ARG A 96 -3.098 -13.644 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.592 -15.005 -6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.677 -15.812 -6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.053 -16.684 -7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.509 -13.788 -7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.777 -15.116 -8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.778 -14.884 -8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.961 -14.181 -9.705 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.615 -16.977 -9.314 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.259 -14.776 -10.751 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.765 -15.931 -11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.975 -18.456 -10.912 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.733 -18.005 -12.085 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.799 -16.442 -4.169 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.957 -17.343 -3.033 1.00 0.00 C ATOM 1423 C GLU A 97 -4.952 -18.490 -3.105 1.00 0.00 C ATOM 1424 O GLU A 97 -4.542 -18.903 -4.189 1.00 0.00 O ATOM 1425 CB GLU A 97 -7.381 -17.900 -2.990 1.00 0.00 C ATOM 1426 CG GLU A 97 -7.876 -18.197 -1.584 1.00 0.00 C ATOM 1427 CD GLU A 97 -8.884 -19.329 -1.548 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -8.555 -20.432 -2.033 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -10.002 -19.113 -1.034 1.00 0.00 O ATOM 0 H GLU A 97 -6.676 -16.146 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.769 -16.775 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.056 -17.185 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.422 -18.815 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.027 -18.451 -0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -8.329 -17.299 -1.165 1.00 0.00 H new ATOM 1436 N ARG A 98 -4.560 -18.998 -1.941 1.00 0.00 N ATOM 1437 CA ARG A 98 -3.603 -20.096 -1.871 1.00 0.00 C ATOM 1438 C ARG A 98 -4.296 -21.437 -2.095 1.00 0.00 C ATOM 1439 O ARG A 98 -4.744 -22.081 -1.147 1.00 0.00 O ATOM 1440 CB ARG A 98 -2.894 -20.096 -0.515 1.00 0.00 C ATOM 1441 CG ARG A 98 -2.047 -21.334 -0.271 1.00 0.00 C ATOM 1442 CD ARG A 98 -0.643 -21.168 -0.832 1.00 0.00 C ATOM 1443 NE ARG A 98 0.324 -22.023 -0.148 1.00 0.00 N ATOM 1444 CZ ARG A 98 1.473 -22.411 -0.689 1.00 0.00 C ATOM 1445 NH1 ARG A 98 1.797 -22.023 -1.915 1.00 0.00 N ATOM 1446 NH2 ARG A 98 2.301 -23.189 -0.004 1.00 0.00 N ATOM 0 H ARG A 98 -4.890 -18.667 -1.034 1.00 0.00 H new ATOM 0 HA ARG A 98 -2.865 -19.952 -2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.259 -19.213 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.640 -20.015 0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.991 -21.533 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.524 -22.199 -0.731 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.647 -21.405 -1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.336 -20.126 -0.738 1.00 0.00 H new ATOM 0 HE ARG A 98 0.105 -22.339 0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 98 1.163 -21.425 -2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.680 -22.323 -2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.055 -23.490 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.183 -23.486 -0.421 1.00 0.00 H new