USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 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 18 SER OG : rot 151:sc= 1.04 USER MOD Set 1.2: A 44 LYS NZ :NH3+ -113:sc= 0.933 (180deg=-0.373) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.114 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -101:sc= 0.341 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc=-0.000633 (180deg=-0.134) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.2) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.8!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -143:sc= -0.341 (180deg=-1.96!) USER MOD Single : A 56 LYS NZ :NH3+ -143:sc= -0.179 (180deg=-1.36) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -4.157 -3.713 -30.993 1.00 0.00 N ATOM 125 CA MET A 1 -5.012 -4.865 -30.598 1.00 0.00 C ATOM 126 C MET A 1 -5.727 -4.531 -29.313 1.00 0.00 C ATOM 127 O MET A 1 -5.662 -3.410 -28.835 1.00 0.00 O ATOM 128 CB MET A 1 -4.148 -6.109 -30.392 1.00 0.00 C ATOM 129 CG MET A 1 -4.047 -6.864 -31.705 1.00 0.00 C ATOM 130 SD MET A 1 -2.564 -7.903 -31.698 1.00 0.00 S ATOM 131 CE MET A 1 -3.090 -9.057 -32.988 1.00 0.00 C ATOM 0 H1 MET A 1 -4.497 -3.321 -31.894 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.202 -2.979 -30.257 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.174 -4.033 -31.104 1.00 0.00 H new ATOM 0 HA MET A 1 -5.739 -5.064 -31.386 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.155 -5.824 -30.044 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.584 -6.747 -29.623 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.934 -7.480 -31.850 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.007 -6.162 -32.538 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.310 -9.801 -33.151 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.008 -9.556 -32.677 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.269 -8.511 -33.914 1.00 0.00 H new ATOM 141 N GLU A 2 -6.407 -5.486 -28.735 1.00 0.00 N ATOM 142 CA GLU A 2 -7.110 -5.230 -27.492 1.00 0.00 C ATOM 143 C GLU A 2 -6.614 -6.233 -26.486 1.00 0.00 C ATOM 144 O GLU A 2 -5.859 -7.130 -26.813 1.00 0.00 O ATOM 145 CB GLU A 2 -8.612 -5.426 -27.717 1.00 0.00 C ATOM 146 CG GLU A 2 -9.381 -4.187 -27.253 1.00 0.00 C ATOM 147 CD GLU A 2 -10.742 -4.135 -27.951 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.383 -5.170 -28.033 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.119 -3.062 -28.391 1.00 0.00 O ATOM 0 H GLU A 2 -6.493 -6.437 -29.093 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.935 -4.213 -27.141 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.808 -5.610 -28.773 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.958 -6.304 -27.171 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.517 -4.215 -26.172 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.810 -3.286 -27.480 1.00 0.00 H new ATOM 156 N ALA A 3 -7.036 -6.099 -25.286 1.00 0.00 N ATOM 157 CA ALA A 3 -6.618 -7.052 -24.240 1.00 0.00 C ATOM 158 C ALA A 3 -7.681 -7.118 -23.158 1.00 0.00 C ATOM 159 O ALA A 3 -7.945 -6.168 -22.457 1.00 0.00 O ATOM 160 CB ALA A 3 -5.305 -6.627 -23.675 1.00 0.00 C ATOM 0 H ALA A 3 -7.664 -5.360 -24.971 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.503 -8.047 -24.669 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.996 -7.331 -22.902 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.557 -6.607 -24.468 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.401 -5.631 -23.241 1.00 0.00 H new ATOM 166 N ILE A 4 -8.312 -8.239 -23.063 1.00 0.00 N ATOM 167 CA ILE A 4 -9.414 -8.436 -22.089 1.00 0.00 C ATOM 168 C ILE A 4 -8.962 -8.259 -20.657 1.00 0.00 C ATOM 169 O ILE A 4 -8.174 -9.021 -20.137 1.00 0.00 O ATOM 170 CB ILE A 4 -9.982 -9.839 -22.280 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.009 -10.163 -21.173 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.862 -10.870 -22.259 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.252 -10.709 -21.805 1.00 0.00 C ATOM 0 H ILE A 4 -8.107 -9.057 -23.637 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.173 -7.676 -22.277 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.483 -9.876 -23.247 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.593 -10.888 -20.474 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.241 -9.265 -20.600 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.282 -11.866 -22.396 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.158 -10.659 -23.064 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.343 -10.824 -21.302 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.983 -10.941 -21.030 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.669 -9.968 -22.487 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.010 -11.616 -22.359 1.00 0.00 H new ATOM 185 N ALA A 5 -9.537 -7.299 -20.003 1.00 0.00 N ATOM 186 CA ALA A 5 -9.231 -7.094 -18.550 1.00 0.00 C ATOM 187 C ALA A 5 -9.901 -8.243 -17.783 1.00 0.00 C ATOM 188 O ALA A 5 -11.107 -8.272 -17.630 1.00 0.00 O ATOM 189 CB ALA A 5 -9.812 -5.770 -18.062 1.00 0.00 C ATOM 0 H ALA A 5 -10.207 -6.642 -20.403 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.153 -7.076 -18.392 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.580 -5.638 -17.005 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.378 -4.950 -18.634 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.893 -5.775 -18.198 1.00 0.00 H new ATOM 195 N LYS A 6 -9.135 -9.200 -17.334 1.00 0.00 N ATOM 196 CA LYS A 6 -9.722 -10.369 -16.612 1.00 0.00 C ATOM 197 C LYS A 6 -10.372 -9.928 -15.299 1.00 0.00 C ATOM 198 O LYS A 6 -11.266 -10.584 -14.795 1.00 0.00 O ATOM 199 CB LYS A 6 -8.618 -11.371 -16.288 1.00 0.00 C ATOM 200 CG LYS A 6 -7.915 -11.790 -17.572 1.00 0.00 C ATOM 201 CD LYS A 6 -6.506 -12.282 -17.242 1.00 0.00 C ATOM 202 CE LYS A 6 -6.588 -13.562 -16.405 1.00 0.00 C ATOM 203 NZ LYS A 6 -6.438 -14.748 -17.294 1.00 0.00 N ATOM 0 H LYS A 6 -8.120 -9.224 -17.436 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.478 -10.821 -17.254 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.901 -10.927 -15.597 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.040 -12.244 -15.791 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.480 -12.579 -18.069 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.866 -10.949 -18.264 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.952 -12.472 -18.161 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.961 -11.513 -16.695 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.807 -13.563 -15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.543 -13.606 -15.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.494 -15.617 -16.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.199 -14.749 -18.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.517 -14.707 -17.775 1.00 0.00 H new ATOM 217 N TYR A 7 -9.918 -8.840 -14.727 1.00 0.00 N ATOM 218 CA TYR A 7 -10.500 -8.380 -13.419 1.00 0.00 C ATOM 219 C TYR A 7 -10.500 -6.871 -13.350 1.00 0.00 C ATOM 220 O TYR A 7 -10.208 -6.186 -14.313 1.00 0.00 O ATOM 221 CB TYR A 7 -9.665 -8.929 -12.244 1.00 0.00 C ATOM 222 CG TYR A 7 -9.319 -10.382 -12.472 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.305 -11.369 -12.356 1.00 0.00 C ATOM 224 CD2 TYR A 7 -8.010 -10.736 -12.802 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.976 -12.713 -12.572 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.679 -12.076 -13.019 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.661 -13.066 -12.903 1.00 0.00 C ATOM 228 OH TYR A 7 -8.335 -14.392 -13.116 1.00 0.00 O ATOM 0 H TYR A 7 -9.175 -8.251 -15.103 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.522 -8.751 -13.350 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.751 -8.345 -12.135 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.223 -8.824 -11.314 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.318 -11.094 -12.100 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.251 -9.973 -12.890 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.735 -13.476 -12.484 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.666 -12.347 -13.276 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.383 -14.463 -13.337 1.00 0.00 H new ATOM 238 N ASP A 8 -10.844 -6.353 -12.210 1.00 0.00 N ATOM 239 CA ASP A 8 -10.896 -4.891 -12.031 1.00 0.00 C ATOM 240 C ASP A 8 -9.537 -4.376 -11.521 1.00 0.00 C ATOM 241 O ASP A 8 -8.689 -5.136 -11.106 1.00 0.00 O ATOM 242 CB ASP A 8 -12.028 -4.577 -11.044 1.00 0.00 C ATOM 243 CG ASP A 8 -11.648 -5.006 -9.615 1.00 0.00 C ATOM 244 OD1 ASP A 8 -10.845 -5.915 -9.484 1.00 0.00 O ATOM 245 OD2 ASP A 8 -12.168 -4.416 -8.683 1.00 0.00 O ATOM 0 H ASP A 8 -11.095 -6.895 -11.383 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.096 -4.388 -12.977 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.245 -3.509 -11.061 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.938 -5.092 -11.352 1.00 0.00 H new ATOM 250 N PHE A 9 -9.340 -3.086 -11.558 1.00 0.00 N ATOM 251 CA PHE A 9 -8.054 -2.484 -11.093 1.00 0.00 C ATOM 252 C PHE A 9 -8.081 -0.979 -11.384 1.00 0.00 C ATOM 253 O PHE A 9 -9.015 -0.469 -11.977 1.00 0.00 O ATOM 254 CB PHE A 9 -6.866 -3.131 -11.843 1.00 0.00 C ATOM 255 CG PHE A 9 -5.795 -3.547 -10.854 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.140 -4.300 -9.727 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.462 -3.184 -11.071 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.153 -4.690 -8.814 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.473 -3.574 -10.160 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.818 -4.326 -9.031 1.00 0.00 C ATOM 0 H PHE A 9 -10.026 -2.412 -11.896 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.934 -2.658 -10.024 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.210 -3.999 -12.406 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.453 -2.426 -12.564 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.169 -4.581 -9.561 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.195 -2.603 -11.941 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.421 -5.271 -7.944 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.443 -3.294 -10.328 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.055 -4.625 -8.328 1.00 0.00 H new ATOM 270 N LYS A 10 -7.065 -0.270 -10.971 1.00 0.00 N ATOM 271 CA LYS A 10 -7.021 1.207 -11.219 1.00 0.00 C ATOM 272 C LYS A 10 -5.608 1.633 -11.516 1.00 0.00 C ATOM 273 O LYS A 10 -4.654 0.950 -11.182 1.00 0.00 O ATOM 274 CB LYS A 10 -7.542 1.951 -9.974 1.00 0.00 C ATOM 275 CG LYS A 10 -8.885 2.621 -10.287 1.00 0.00 C ATOM 276 CD LYS A 10 -9.085 3.823 -9.359 1.00 0.00 C ATOM 277 CE LYS A 10 -9.195 3.339 -7.912 1.00 0.00 C ATOM 278 NZ LYS A 10 -9.722 4.441 -7.057 1.00 0.00 N ATOM 0 H LYS A 10 -6.260 -0.648 -10.471 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.651 1.450 -12.075 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.659 1.253 -9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.817 2.701 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.909 2.944 -11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.699 1.908 -10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.250 4.516 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.986 4.367 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.855 2.474 -7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.218 3.019 -7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.797 4.112 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.076 5.255 -7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.662 4.726 -7.399 1.00 0.00 H new ATOM 292 N ALA A 11 -5.462 2.769 -12.148 1.00 0.00 N ATOM 293 CA ALA A 11 -4.114 3.257 -12.477 1.00 0.00 C ATOM 294 C ALA A 11 -3.392 3.594 -11.174 1.00 0.00 C ATOM 295 O ALA A 11 -3.886 4.360 -10.365 1.00 0.00 O ATOM 296 CB ALA A 11 -4.200 4.502 -13.347 1.00 0.00 C ATOM 0 H ALA A 11 -6.228 3.373 -12.446 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.570 2.488 -13.026 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.195 4.852 -13.582 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.727 4.264 -14.271 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.740 5.283 -12.812 1.00 0.00 H new ATOM 302 N THR A 12 -2.242 3.028 -10.960 1.00 0.00 N ATOM 303 CA THR A 12 -1.489 3.310 -9.697 1.00 0.00 C ATOM 304 C THR A 12 -0.373 4.300 -9.992 1.00 0.00 C ATOM 305 O THR A 12 0.697 4.243 -9.413 1.00 0.00 O ATOM 306 CB THR A 12 -0.902 2.009 -9.146 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.041 1.430 -10.117 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.037 1.034 -8.818 1.00 0.00 C ATOM 0 H THR A 12 -1.785 2.380 -11.602 1.00 0.00 H new ATOM 0 HA THR A 12 -2.163 3.735 -8.954 1.00 0.00 H new ATOM 0 HB THR A 12 -0.335 2.221 -8.239 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.509 0.701 -10.576 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.618 0.107 -8.426 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.695 1.479 -8.072 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.606 0.821 -9.723 1.00 0.00 H new ATOM 316 N ALA A 13 -0.620 5.207 -10.895 1.00 0.00 N ATOM 317 CA ALA A 13 0.406 6.222 -11.264 1.00 0.00 C ATOM 318 C ALA A 13 -0.130 7.078 -12.372 1.00 0.00 C ATOM 319 O ALA A 13 -1.093 6.738 -13.036 1.00 0.00 O ATOM 320 CB ALA A 13 1.687 5.536 -11.745 1.00 0.00 C ATOM 0 H ALA A 13 -1.502 5.289 -11.400 1.00 0.00 H new ATOM 0 HA ALA A 13 0.634 6.829 -10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.427 6.291 -12.011 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.083 4.905 -10.949 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.465 4.922 -12.618 1.00 0.00 H new ATOM 326 N ASP A 14 0.497 8.182 -12.581 1.00 0.00 N ATOM 327 CA ASP A 14 0.074 9.100 -13.650 1.00 0.00 C ATOM 328 C ASP A 14 0.282 8.422 -15.006 1.00 0.00 C ATOM 329 O ASP A 14 -0.397 8.720 -15.973 1.00 0.00 O ATOM 330 CB ASP A 14 0.933 10.332 -13.544 1.00 0.00 C ATOM 331 CG ASP A 14 0.216 11.525 -14.177 1.00 0.00 C ATOM 332 OD1 ASP A 14 -0.766 11.972 -13.607 1.00 0.00 O ATOM 333 OD2 ASP A 14 0.660 11.971 -15.222 1.00 0.00 O ATOM 0 H ASP A 14 1.305 8.496 -12.043 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.979 9.364 -13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.153 10.543 -12.498 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.887 10.164 -14.043 1.00 0.00 H new ATOM 338 N ASP A 15 1.231 7.513 -15.081 1.00 0.00 N ATOM 339 CA ASP A 15 1.511 6.820 -16.332 1.00 0.00 C ATOM 340 C ASP A 15 0.912 5.400 -16.317 1.00 0.00 C ATOM 341 O ASP A 15 1.398 4.511 -16.995 1.00 0.00 O ATOM 342 CB ASP A 15 3.032 6.753 -16.514 1.00 0.00 C ATOM 343 CG ASP A 15 3.664 5.900 -15.402 1.00 0.00 C ATOM 344 OD1 ASP A 15 3.408 4.707 -15.380 1.00 0.00 O ATOM 345 OD2 ASP A 15 4.392 6.456 -14.596 1.00 0.00 O ATOM 0 H ASP A 15 1.822 7.234 -14.298 1.00 0.00 H new ATOM 0 HA ASP A 15 1.056 7.362 -17.161 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.270 6.327 -17.489 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.452 7.758 -16.494 1.00 0.00 H new ATOM 350 N GLU A 16 -0.136 5.179 -15.553 1.00 0.00 N ATOM 351 CA GLU A 16 -0.752 3.828 -15.502 1.00 0.00 C ATOM 352 C GLU A 16 -2.186 3.910 -16.033 1.00 0.00 C ATOM 353 O GLU A 16 -2.700 4.987 -16.275 1.00 0.00 O ATOM 354 CB GLU A 16 -0.744 3.320 -14.062 1.00 0.00 C ATOM 355 CG GLU A 16 -0.911 1.806 -14.062 1.00 0.00 C ATOM 356 CD GLU A 16 -0.114 1.200 -12.906 1.00 0.00 C ATOM 357 OE1 GLU A 16 1.007 1.634 -12.694 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.638 0.313 -12.253 1.00 0.00 O ATOM 0 H GLU A 16 -0.585 5.882 -14.966 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.183 3.134 -16.121 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.190 3.594 -13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.550 3.786 -13.495 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.965 1.547 -13.965 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.567 1.392 -15.010 1.00 0.00 H new ATOM 365 N LEU A 17 -2.825 2.782 -16.244 1.00 0.00 N ATOM 366 CA LEU A 17 -4.218 2.803 -16.797 1.00 0.00 C ATOM 367 C LEU A 17 -5.189 2.031 -15.895 1.00 0.00 C ATOM 368 O LEU A 17 -4.919 0.927 -15.462 1.00 0.00 O ATOM 369 CB LEU A 17 -4.195 2.169 -18.199 1.00 0.00 C ATOM 370 CG LEU A 17 -5.595 2.195 -18.829 1.00 0.00 C ATOM 371 CD1 LEU A 17 -5.941 3.623 -19.249 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.613 1.279 -20.062 1.00 0.00 C ATOM 0 H LEU A 17 -2.445 1.854 -16.059 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.564 3.835 -16.848 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.494 2.708 -18.836 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.839 1.141 -18.133 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.328 1.845 -18.103 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.935 3.640 -19.696 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.925 4.273 -18.374 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.210 3.976 -19.977 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.605 1.295 -20.512 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.880 1.631 -20.788 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.367 0.260 -19.762 1.00 0.00 H new ATOM 384 N SER A 18 -6.332 2.622 -15.626 1.00 0.00 N ATOM 385 CA SER A 18 -7.344 1.991 -14.791 1.00 0.00 C ATOM 386 C SER A 18 -8.301 1.162 -15.666 1.00 0.00 C ATOM 387 O SER A 18 -8.294 1.272 -16.878 1.00 0.00 O ATOM 388 CB SER A 18 -8.107 3.108 -14.108 1.00 0.00 C ATOM 389 OG SER A 18 -9.118 3.622 -14.973 1.00 0.00 O ATOM 0 H SER A 18 -6.590 3.545 -15.974 1.00 0.00 H new ATOM 0 HA SER A 18 -6.889 1.323 -14.060 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.560 2.738 -13.188 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.420 3.906 -13.826 1.00 0.00 H new ATOM 0 HG SER A 18 -9.863 3.967 -14.437 1.00 0.00 H new ATOM 395 N PHE A 19 -9.135 0.355 -15.054 1.00 0.00 N ATOM 396 CA PHE A 19 -10.114 -0.467 -15.837 1.00 0.00 C ATOM 397 C PHE A 19 -10.915 -1.342 -14.873 1.00 0.00 C ATOM 398 O PHE A 19 -10.580 -1.459 -13.717 1.00 0.00 O ATOM 399 CB PHE A 19 -9.376 -1.368 -16.844 1.00 0.00 C ATOM 400 CG PHE A 19 -8.382 -2.248 -16.121 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.823 -3.401 -15.464 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.023 -1.912 -16.111 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.906 -4.219 -14.794 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.106 -2.729 -15.442 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.546 -3.884 -14.784 1.00 0.00 C ATOM 0 H PHE A 19 -9.180 0.229 -14.043 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.780 0.200 -16.383 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.093 -1.985 -17.386 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.861 -0.755 -17.583 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.871 -3.660 -15.474 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.683 -1.022 -16.620 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.247 -5.108 -14.285 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.058 -2.469 -15.433 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.837 -4.516 -14.269 1.00 0.00 H new ATOM 415 N LYS A 20 -11.966 -1.955 -15.347 1.00 0.00 N ATOM 416 CA LYS A 20 -12.791 -2.830 -14.472 1.00 0.00 C ATOM 417 C LYS A 20 -12.782 -4.246 -15.018 1.00 0.00 C ATOM 418 O LYS A 20 -12.193 -4.525 -16.048 1.00 0.00 O ATOM 419 CB LYS A 20 -14.222 -2.322 -14.454 1.00 0.00 C ATOM 420 CG LYS A 20 -14.231 -0.875 -13.999 1.00 0.00 C ATOM 421 CD LYS A 20 -13.990 -0.808 -12.488 1.00 0.00 C ATOM 422 CE LYS A 20 -15.291 -1.128 -11.749 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.190 0.061 -11.790 1.00 0.00 N ATOM 0 H LYS A 20 -12.289 -1.885 -16.312 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.380 -2.819 -13.463 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.663 -2.406 -15.447 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.828 -2.931 -13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.459 -0.313 -14.525 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.186 -0.412 -14.246 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.213 -1.516 -12.201 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.636 0.184 -12.209 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.782 -1.985 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.077 -1.401 -10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.920 -0.030 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.633 0.923 -11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.645 0.120 -12.723 1.00 0.00 H new ATOM 437 N ARG A 21 -13.438 -5.138 -14.337 1.00 0.00 N ATOM 438 CA ARG A 21 -13.495 -6.544 -14.792 1.00 0.00 C ATOM 439 C ARG A 21 -14.410 -6.645 -16.011 1.00 0.00 C ATOM 440 O ARG A 21 -15.617 -6.511 -15.904 1.00 0.00 O ATOM 441 CB ARG A 21 -14.054 -7.381 -13.666 1.00 0.00 C ATOM 442 CG ARG A 21 -13.993 -8.853 -14.031 1.00 0.00 C ATOM 443 CD ARG A 21 -14.138 -9.664 -12.757 1.00 0.00 C ATOM 444 NE ARG A 21 -14.794 -10.967 -13.065 1.00 0.00 N ATOM 445 CZ ARG A 21 -16.077 -11.115 -12.870 1.00 0.00 C ATOM 446 NH1 ARG A 21 -16.917 -10.248 -13.367 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.520 -12.130 -12.179 1.00 0.00 N ATOM 0 H ARG A 21 -13.944 -4.946 -13.472 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.500 -6.897 -15.065 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.487 -7.201 -12.753 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.085 -7.091 -13.464 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.788 -9.104 -14.734 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.048 -9.084 -14.523 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.159 -9.835 -12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.730 -9.111 -12.027 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.241 -11.743 -13.428 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.571 -9.455 -13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.919 -10.364 -13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.864 -12.808 -11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.522 -12.245 -12.027 1.00 0.00 H new ATOM 461 N GLY A 22 -13.847 -6.873 -17.169 1.00 0.00 N ATOM 462 CA GLY A 22 -14.678 -6.976 -18.405 1.00 0.00 C ATOM 463 C GLY A 22 -14.467 -5.736 -19.289 1.00 0.00 C ATOM 464 O GLY A 22 -15.105 -5.587 -20.316 1.00 0.00 O ATOM 0 H GLY A 22 -12.844 -6.993 -17.312 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.411 -7.876 -18.958 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.731 -7.067 -18.138 1.00 0.00 H new ATOM 468 N ASP A 23 -13.567 -4.847 -18.908 1.00 0.00 N ATOM 469 CA ASP A 23 -13.308 -3.663 -19.697 1.00 0.00 C ATOM 470 C ASP A 23 -12.060 -3.920 -20.516 1.00 0.00 C ATOM 471 O ASP A 23 -10.965 -3.760 -20.030 1.00 0.00 O ATOM 472 CB ASP A 23 -13.072 -2.485 -18.757 1.00 0.00 C ATOM 473 CG ASP A 23 -14.209 -1.466 -18.895 1.00 0.00 C ATOM 474 OD1 ASP A 23 -15.342 -1.889 -19.057 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.926 -0.281 -18.836 1.00 0.00 O ATOM 0 H ASP A 23 -13.006 -4.925 -18.059 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.150 -3.435 -20.351 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.012 -2.838 -17.727 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.118 -2.011 -18.988 1.00 0.00 H new ATOM 480 N ILE A 24 -12.214 -4.336 -21.733 1.00 0.00 N ATOM 481 CA ILE A 24 -11.018 -4.631 -22.575 1.00 0.00 C ATOM 482 C ILE A 24 -10.334 -3.324 -22.964 1.00 0.00 C ATOM 483 O ILE A 24 -10.973 -2.348 -23.309 1.00 0.00 O ATOM 484 CB ILE A 24 -11.424 -5.431 -23.816 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.424 -6.548 -23.385 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.153 -6.048 -24.418 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.584 -7.603 -24.479 1.00 0.00 C ATOM 0 H ILE A 24 -13.114 -4.487 -22.188 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.314 -5.237 -22.004 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.907 -4.795 -24.558 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.071 -7.022 -22.469 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.394 -6.104 -23.161 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.414 -6.625 -25.305 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.458 -5.254 -24.692 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.684 -6.703 -23.684 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.287 -8.367 -24.148 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.961 -7.132 -25.387 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.618 -8.064 -24.684 1.00 0.00 H new ATOM 499 N LEU A 25 -9.032 -3.295 -22.861 1.00 0.00 N ATOM 500 CA LEU A 25 -8.263 -2.048 -23.165 1.00 0.00 C ATOM 501 C LEU A 25 -7.766 -2.088 -24.615 1.00 0.00 C ATOM 502 O LEU A 25 -7.842 -3.107 -25.276 1.00 0.00 O ATOM 503 CB LEU A 25 -7.031 -1.897 -22.209 1.00 0.00 C ATOM 504 CG LEU A 25 -7.075 -2.864 -20.984 1.00 0.00 C ATOM 505 CD1 LEU A 25 -5.946 -2.500 -20.022 1.00 0.00 C ATOM 506 CD2 LEU A 25 -8.419 -2.766 -20.231 1.00 0.00 C ATOM 0 H LEU A 25 -8.460 -4.090 -22.576 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.928 -1.197 -23.018 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.117 -2.080 -22.774 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.983 -0.869 -21.850 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.961 -3.883 -21.353 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.969 -3.171 -19.163 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.988 -2.597 -20.532 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.074 -1.472 -19.683 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.413 -3.453 -19.385 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.560 -1.747 -19.870 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.234 -3.028 -20.906 1.00 0.00 H new ATOM 518 N LYS A 26 -7.246 -0.979 -25.111 1.00 0.00 N ATOM 519 CA LYS A 26 -6.737 -0.955 -26.536 1.00 0.00 C ATOM 520 C LYS A 26 -5.205 -0.916 -26.537 1.00 0.00 C ATOM 521 O LYS A 26 -4.606 0.133 -26.424 1.00 0.00 O ATOM 522 CB LYS A 26 -7.279 0.284 -27.254 1.00 0.00 C ATOM 523 CG LYS A 26 -7.258 0.046 -28.764 1.00 0.00 C ATOM 524 CD LYS A 26 -8.500 -0.747 -29.175 1.00 0.00 C ATOM 525 CE LYS A 26 -8.859 -0.419 -30.624 1.00 0.00 C ATOM 526 NZ LYS A 26 -9.871 -1.394 -31.119 1.00 0.00 N ATOM 0 H LYS A 26 -7.152 -0.101 -24.601 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.076 -1.852 -27.053 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.296 0.495 -26.922 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.675 1.156 -27.004 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.231 0.999 -29.292 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.357 -0.499 -29.044 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.314 -1.816 -29.069 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.335 -0.502 -28.518 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.252 0.595 -30.692 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.966 -0.457 -31.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.115 -1.171 -32.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.480 -2.356 -31.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.726 -1.337 -30.529 1.00 0.00 H new ATOM 540 N VAL A 27 -4.567 -2.055 -26.658 1.00 0.00 N ATOM 541 CA VAL A 27 -3.071 -2.085 -26.637 1.00 0.00 C ATOM 542 C VAL A 27 -2.495 -1.221 -27.760 1.00 0.00 C ATOM 543 O VAL A 27 -2.527 -1.578 -28.921 1.00 0.00 O ATOM 544 CB VAL A 27 -2.574 -3.532 -26.773 1.00 0.00 C ATOM 545 CG1 VAL A 27 -1.048 -3.568 -26.613 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.208 -4.391 -25.673 1.00 0.00 C ATOM 0 H VAL A 27 -5.017 -2.964 -26.770 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.730 -1.679 -25.685 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.851 -3.918 -27.754 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.696 -4.595 -26.710 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.587 -2.952 -27.385 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.776 -3.182 -25.631 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.857 -5.419 -25.767 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.925 -3.999 -24.696 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.293 -4.367 -25.773 1.00 0.00 H new ATOM 556 N LEU A 28 -1.936 -0.094 -27.397 1.00 0.00 N ATOM 557 CA LEU A 28 -1.312 0.807 -28.400 1.00 0.00 C ATOM 558 C LEU A 28 0.125 0.338 -28.614 1.00 0.00 C ATOM 559 O LEU A 28 0.695 0.517 -29.675 1.00 0.00 O ATOM 560 CB LEU A 28 -1.266 2.283 -27.902 1.00 0.00 C ATOM 561 CG LEU A 28 -2.460 2.625 -26.970 1.00 0.00 C ATOM 562 CD1 LEU A 28 -1.931 3.020 -25.576 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.257 3.802 -27.562 1.00 0.00 C ATOM 0 H LEU A 28 -1.887 0.240 -26.434 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.902 0.771 -29.316 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.331 2.456 -27.370 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.273 2.955 -28.760 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.108 1.753 -26.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.770 3.260 -24.923 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.367 2.189 -25.152 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.281 3.891 -25.667 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.095 4.041 -26.907 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.607 4.673 -27.652 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.634 3.527 -28.547 1.00 0.00 H new ATOM 575 N ASN A 29 0.723 -0.258 -27.596 1.00 0.00 N ATOM 576 CA ASN A 29 2.131 -0.729 -27.738 1.00 0.00 C ATOM 577 C ASN A 29 2.482 -1.674 -26.586 1.00 0.00 C ATOM 578 O ASN A 29 1.633 -2.056 -25.804 1.00 0.00 O ATOM 579 CB ASN A 29 3.074 0.483 -27.715 1.00 0.00 C ATOM 580 CG ASN A 29 4.168 0.308 -28.773 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.482 -0.800 -29.161 1.00 0.00 O ATOM 582 ND2 ASN A 29 4.763 1.363 -29.260 1.00 0.00 N ATOM 0 H ASN A 29 0.294 -0.432 -26.687 1.00 0.00 H new ATOM 0 HA ASN A 29 2.241 -1.263 -28.682 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.512 1.397 -27.907 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.523 0.587 -26.727 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.491 1.257 -29.966 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.499 2.293 -28.934 1.00 0.00 H new ATOM 673 N TRP A 36 3.596 -5.750 -17.932 1.00 0.00 N ATOM 674 CA TRP A 36 2.475 -4.777 -18.158 1.00 0.00 C ATOM 675 C TRP A 36 2.548 -4.267 -19.611 1.00 0.00 C ATOM 676 O TRP A 36 3.606 -3.932 -20.110 1.00 0.00 O ATOM 677 CB TRP A 36 2.549 -3.564 -17.206 1.00 0.00 C ATOM 678 CG TRP A 36 2.672 -3.974 -15.750 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.612 -4.814 -15.244 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.868 -3.532 -14.594 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.431 -4.917 -13.872 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.381 -4.148 -13.427 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.756 -2.669 -14.439 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.827 -3.915 -12.162 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.202 -2.441 -13.161 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.742 -3.058 -12.031 1.00 0.00 C ATOM 0 HA TRP A 36 1.538 -5.299 -17.963 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.403 -2.944 -17.479 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.656 -2.951 -17.333 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.376 -5.319 -15.816 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.010 -5.496 -13.264 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.329 -2.182 -15.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.242 -4.400 -11.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.648 -1.783 -13.056 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.317 -2.869 -11.056 1.00 0.00 H new ATOM 697 N TYR A 37 1.426 -4.205 -20.283 1.00 0.00 N ATOM 698 CA TYR A 37 1.401 -3.717 -21.703 1.00 0.00 C ATOM 699 C TYR A 37 1.135 -2.208 -21.723 1.00 0.00 C ATOM 700 O TYR A 37 1.054 -1.575 -20.710 1.00 0.00 O ATOM 701 CB TYR A 37 0.227 -4.368 -22.450 1.00 0.00 C ATOM 702 CG TYR A 37 0.374 -5.867 -22.569 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.609 -6.450 -22.877 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.761 -6.672 -22.402 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.705 -7.841 -23.021 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.668 -8.056 -22.536 1.00 0.00 C ATOM 707 CZ TYR A 37 0.565 -8.648 -22.848 1.00 0.00 C ATOM 708 OH TYR A 37 0.654 -10.022 -23.000 1.00 0.00 O ATOM 0 H TYR A 37 0.516 -4.473 -19.908 1.00 0.00 H new ATOM 0 HA TYR A 37 2.357 -3.962 -22.166 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.703 -4.138 -21.929 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.150 -3.934 -23.447 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.484 -5.830 -23.003 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.712 -6.218 -22.168 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.655 -8.294 -23.265 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.544 -8.672 -22.400 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.225 -10.426 -22.844 1.00 0.00 H new ATOM 718 N LYS A 38 0.934 -1.659 -22.891 1.00 0.00 N ATOM 719 CA LYS A 38 0.587 -0.223 -23.024 1.00 0.00 C ATOM 720 C LYS A 38 -0.743 -0.196 -23.769 1.00 0.00 C ATOM 721 O LYS A 38 -0.894 -0.876 -24.767 1.00 0.00 O ATOM 722 CB LYS A 38 1.649 0.512 -23.832 1.00 0.00 C ATOM 723 CG LYS A 38 1.336 2.006 -23.815 1.00 0.00 C ATOM 724 CD LYS A 38 1.596 2.612 -25.199 1.00 0.00 C ATOM 725 CE LYS A 38 2.554 3.795 -25.064 1.00 0.00 C ATOM 726 NZ LYS A 38 2.471 4.649 -26.282 1.00 0.00 N ATOM 0 H LYS A 38 0.998 -2.162 -23.776 1.00 0.00 H new ATOM 0 HA LYS A 38 0.526 0.266 -22.052 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.637 0.329 -23.410 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.666 0.142 -24.857 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.296 2.165 -23.529 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.952 2.507 -23.068 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.021 1.860 -25.863 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.658 2.939 -25.647 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.302 4.380 -24.180 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.574 3.436 -24.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.124 5.453 -26.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.732 4.088 -27.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.499 5.003 -26.392 1.00 0.00 H new ATOM 740 N ALA A 39 -1.721 0.527 -23.285 1.00 0.00 N ATOM 741 CA ALA A 39 -3.055 0.515 -23.974 1.00 0.00 C ATOM 742 C ALA A 39 -3.871 1.705 -23.626 1.00 0.00 C ATOM 743 O ALA A 39 -3.404 2.632 -23.002 1.00 0.00 O ATOM 744 CB ALA A 39 -3.786 -0.756 -23.583 1.00 0.00 C ATOM 0 H ALA A 39 -1.660 1.118 -22.456 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.893 0.547 -25.051 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.758 -0.782 -24.075 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.200 -1.622 -23.891 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.925 -0.778 -22.502 1.00 0.00 H new ATOM 750 N GLU A 40 -5.090 1.717 -24.089 1.00 0.00 N ATOM 751 CA GLU A 40 -5.931 2.879 -23.855 1.00 0.00 C ATOM 752 C GLU A 40 -7.411 2.511 -23.813 1.00 0.00 C ATOM 753 O GLU A 40 -7.940 1.832 -24.669 1.00 0.00 O ATOM 754 CB GLU A 40 -5.597 3.904 -24.948 1.00 0.00 C ATOM 755 CG GLU A 40 -6.768 4.148 -25.923 1.00 0.00 C ATOM 756 CD GLU A 40 -6.395 5.251 -26.914 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.108 6.350 -26.468 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.403 4.978 -28.103 1.00 0.00 O ATOM 0 H GLU A 40 -5.524 0.961 -24.619 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.729 3.311 -22.875 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.318 4.848 -24.480 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.729 3.558 -25.510 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.004 3.229 -26.459 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.662 4.432 -25.368 1.00 0.00 H new ATOM 765 N LEU A 41 -8.053 2.999 -22.826 1.00 0.00 N ATOM 766 CA LEU A 41 -9.507 2.746 -22.650 1.00 0.00 C ATOM 767 C LEU A 41 -10.327 3.922 -23.056 1.00 0.00 C ATOM 768 O LEU A 41 -10.564 4.848 -22.308 1.00 0.00 O ATOM 769 CB LEU A 41 -9.811 2.376 -21.217 1.00 0.00 C ATOM 770 CG LEU A 41 -9.708 0.879 -21.093 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.409 0.501 -19.638 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.033 0.271 -21.543 1.00 0.00 C ATOM 0 H LEU A 41 -7.633 3.583 -22.102 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.772 1.912 -23.300 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.110 2.864 -20.540 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.809 2.714 -20.939 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.899 0.498 -21.717 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.335 -0.583 -19.552 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.467 0.955 -19.330 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.212 0.862 -18.996 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.981 -0.815 -21.462 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.838 0.645 -20.910 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.227 0.548 -22.579 1.00 0.00 H new ATOM 784 N ASN A 42 -10.810 3.839 -24.237 1.00 0.00 N ATOM 785 CA ASN A 42 -11.703 4.885 -24.802 1.00 0.00 C ATOM 786 C ASN A 42 -11.243 6.334 -24.497 1.00 0.00 C ATOM 787 O ASN A 42 -12.051 7.249 -24.523 1.00 0.00 O ATOM 788 CB ASN A 42 -13.076 4.691 -24.203 1.00 0.00 C ATOM 789 CG ASN A 42 -13.901 3.747 -25.081 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.762 2.544 -24.993 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.760 4.245 -25.929 1.00 0.00 N ATOM 0 H ASN A 42 -10.623 3.062 -24.871 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.690 4.771 -25.886 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.988 4.281 -23.197 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.582 5.652 -24.113 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.314 3.623 -26.518 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.877 5.256 -26.003 1.00 0.00 H new ATOM 798 N GLY A 43 -9.993 6.554 -24.218 1.00 0.00 N ATOM 799 CA GLY A 43 -9.532 7.952 -23.922 1.00 0.00 C ATOM 800 C GLY A 43 -8.339 7.932 -22.967 1.00 0.00 C ATOM 801 O GLY A 43 -7.417 8.717 -23.108 1.00 0.00 O ATOM 0 H GLY A 43 -9.268 5.838 -24.180 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.255 8.454 -24.849 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.348 8.525 -23.482 1.00 0.00 H new ATOM 805 N LYS A 44 -8.333 7.032 -22.008 1.00 0.00 N ATOM 806 CA LYS A 44 -7.212 6.954 -21.079 1.00 0.00 C ATOM 807 C LYS A 44 -6.214 6.008 -21.651 1.00 0.00 C ATOM 808 O LYS A 44 -6.454 5.377 -22.659 1.00 0.00 O ATOM 809 CB LYS A 44 -7.668 6.446 -19.723 1.00 0.00 C ATOM 810 CG LYS A 44 -8.065 7.634 -18.860 1.00 0.00 C ATOM 811 CD LYS A 44 -8.901 7.156 -17.669 1.00 0.00 C ATOM 812 CE LYS A 44 -8.068 6.205 -16.811 1.00 0.00 C ATOM 813 NZ LYS A 44 -8.625 6.161 -15.429 1.00 0.00 N ATOM 0 H LYS A 44 -9.076 6.352 -21.847 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.780 7.945 -20.940 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.512 5.766 -19.839 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.868 5.882 -19.243 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.173 8.151 -18.506 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.635 8.350 -19.452 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.227 8.009 -17.074 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.801 6.651 -18.022 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.073 5.206 -17.248 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.030 6.537 -16.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.945 6.587 -14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.518 6.693 -15.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.801 5.173 -15.157 1.00 0.00 H new ATOM 827 N ASP A 45 -5.093 5.910 -21.032 1.00 0.00 N ATOM 828 CA ASP A 45 -4.051 5.013 -21.531 1.00 0.00 C ATOM 829 C ASP A 45 -2.901 4.853 -20.515 1.00 0.00 C ATOM 830 O ASP A 45 -2.903 5.436 -19.448 1.00 0.00 O ATOM 831 CB ASP A 45 -3.557 5.589 -22.882 1.00 0.00 C ATOM 832 CG ASP A 45 -2.248 6.407 -22.748 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.328 7.550 -22.330 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.201 5.869 -23.068 1.00 0.00 O ATOM 0 H ASP A 45 -4.851 6.424 -20.185 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.451 4.010 -21.676 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.397 4.770 -23.583 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.334 6.225 -23.306 1.00 0.00 H new ATOM 839 N GLY A 46 -1.909 4.082 -20.886 1.00 0.00 N ATOM 840 CA GLY A 46 -0.728 3.881 -20.005 1.00 0.00 C ATOM 841 C GLY A 46 -0.456 2.397 -19.772 1.00 0.00 C ATOM 842 O GLY A 46 -0.997 1.541 -20.434 1.00 0.00 O ATOM 0 H GLY A 46 -1.871 3.580 -21.773 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.148 4.347 -20.456 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.896 4.377 -19.049 1.00 0.00 H new ATOM 846 N PHE A 47 0.415 2.099 -18.842 1.00 0.00 N ATOM 847 CA PHE A 47 0.779 0.679 -18.563 1.00 0.00 C ATOM 848 C PHE A 47 -0.401 -0.081 -17.960 1.00 0.00 C ATOM 849 O PHE A 47 -1.223 0.482 -17.267 1.00 0.00 O ATOM 850 CB PHE A 47 1.952 0.650 -17.582 1.00 0.00 C ATOM 851 CG PHE A 47 3.099 1.466 -18.137 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.586 1.209 -19.426 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.673 2.483 -17.364 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.644 1.968 -19.939 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.732 3.240 -17.877 1.00 0.00 C ATOM 856 CZ PHE A 47 5.217 2.984 -19.164 1.00 0.00 C ATOM 0 H PHE A 47 0.893 2.786 -18.259 1.00 0.00 H new ATOM 0 HA PHE A 47 1.055 0.198 -19.502 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.642 1.050 -16.617 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.272 -0.378 -17.413 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.145 0.425 -20.023 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.298 2.683 -16.371 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.019 1.770 -20.932 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.175 4.022 -17.279 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.033 3.570 -19.560 1.00 0.00 H new ATOM 866 N ILE A 48 -0.478 -1.375 -18.208 1.00 0.00 N ATOM 867 CA ILE A 48 -1.580 -2.186 -17.645 1.00 0.00 C ATOM 868 C ILE A 48 -0.979 -3.529 -17.179 1.00 0.00 C ATOM 869 O ILE A 48 -0.290 -4.151 -17.933 1.00 0.00 O ATOM 870 CB ILE A 48 -2.645 -2.432 -18.733 1.00 0.00 C ATOM 871 CG1 ILE A 48 -1.978 -3.007 -20.001 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.339 -1.104 -19.076 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.047 -3.309 -21.059 1.00 0.00 C ATOM 0 H ILE A 48 0.187 -1.894 -18.782 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.053 -1.672 -16.808 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.381 -3.145 -18.361 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.253 -2.295 -20.396 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.430 -3.916 -19.754 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.092 -1.275 -19.845 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.817 -0.702 -18.183 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.600 -0.392 -19.444 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.571 -3.715 -21.952 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.755 -4.037 -20.663 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.575 -2.391 -21.315 1.00 0.00 H new ATOM 885 N PRO A 49 -1.241 -3.950 -15.953 1.00 0.00 N ATOM 886 CA PRO A 49 -0.690 -5.217 -15.458 1.00 0.00 C ATOM 887 C PRO A 49 -1.363 -6.378 -16.163 1.00 0.00 C ATOM 888 O PRO A 49 -2.501 -6.658 -15.947 1.00 0.00 O ATOM 889 CB PRO A 49 -0.985 -5.207 -13.963 1.00 0.00 C ATOM 890 CG PRO A 49 -2.147 -4.192 -13.762 1.00 0.00 C ATOM 891 CD PRO A 49 -2.093 -3.240 -14.984 1.00 0.00 C ATOM 0 HA PRO A 49 0.378 -5.327 -15.646 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.270 -6.200 -13.615 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.104 -4.910 -13.393 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.108 -4.704 -13.707 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.027 -3.639 -12.830 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.088 -3.054 -15.389 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.671 -2.271 -14.717 1.00 0.00 H new ATOM 899 N LYS A 50 -0.645 -7.016 -17.036 1.00 0.00 N ATOM 900 CA LYS A 50 -1.192 -8.158 -17.832 1.00 0.00 C ATOM 901 C LYS A 50 -1.797 -9.275 -16.943 1.00 0.00 C ATOM 902 O LYS A 50 -2.562 -10.083 -17.425 1.00 0.00 O ATOM 903 CB LYS A 50 -0.034 -8.714 -18.634 1.00 0.00 C ATOM 904 CG LYS A 50 -0.466 -9.842 -19.551 1.00 0.00 C ATOM 905 CD LYS A 50 0.778 -10.688 -19.871 1.00 0.00 C ATOM 906 CE LYS A 50 0.460 -12.172 -19.682 1.00 0.00 C ATOM 907 NZ LYS A 50 1.715 -12.912 -19.368 1.00 0.00 N ATOM 0 H LYS A 50 0.328 -6.791 -17.242 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.005 -7.802 -18.465 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.412 -7.916 -19.227 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.737 -9.075 -17.954 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.231 -10.453 -19.071 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.904 -9.444 -20.467 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.100 -10.504 -20.896 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.603 -10.398 -19.220 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.262 -12.300 -18.876 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.004 -12.575 -20.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.500 -13.921 -19.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.390 -12.799 -20.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.132 -12.533 -18.494 1.00 0.00 H new ATOM 921 N ASN A 51 -1.462 -9.346 -15.671 1.00 0.00 N ATOM 922 CA ASN A 51 -2.024 -10.401 -14.818 1.00 0.00 C ATOM 923 C ASN A 51 -3.540 -10.229 -14.690 1.00 0.00 C ATOM 924 O ASN A 51 -4.277 -11.186 -14.539 1.00 0.00 O ATOM 925 CB ASN A 51 -1.355 -10.339 -13.483 1.00 0.00 C ATOM 926 CG ASN A 51 -0.105 -11.240 -13.474 1.00 0.00 C ATOM 927 OD1 ASN A 51 0.078 -12.064 -14.351 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.765 -11.119 -12.511 1.00 0.00 N ATOM 0 H ASN A 51 -0.819 -8.707 -15.203 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.845 -11.380 -15.262 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.073 -9.311 -13.256 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.048 -10.658 -12.705 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.594 -11.713 -12.495 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.617 -10.430 -11.773 1.00 0.00 H new ATOM 935 N TYR A 52 -4.008 -9.019 -14.807 1.00 0.00 N ATOM 936 CA TYR A 52 -5.470 -8.745 -14.760 1.00 0.00 C ATOM 937 C TYR A 52 -5.928 -8.546 -16.181 1.00 0.00 C ATOM 938 O TYR A 52 -6.825 -7.761 -16.453 1.00 0.00 O ATOM 939 CB TYR A 52 -5.724 -7.436 -14.001 1.00 0.00 C ATOM 940 CG TYR A 52 -5.649 -7.607 -12.542 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.568 -8.242 -11.944 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.661 -7.075 -11.775 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.512 -8.342 -10.567 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.620 -7.171 -10.409 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.542 -7.806 -9.786 1.00 0.00 C ATOM 946 OH TYR A 52 -5.494 -7.902 -8.411 1.00 0.00 O ATOM 0 H TYR A 52 -3.426 -8.191 -14.936 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.995 -9.565 -14.269 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.993 -6.691 -14.314 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.708 -7.050 -14.268 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.776 -8.655 -12.551 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.493 -6.579 -12.253 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.674 -8.833 -10.094 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.420 -6.756 -9.814 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.288 -7.476 -8.025 1.00 0.00 H new ATOM 956 N ILE A 53 -5.281 -9.203 -17.114 1.00 0.00 N ATOM 957 CA ILE A 53 -5.636 -9.002 -18.516 1.00 0.00 C ATOM 958 C ILE A 53 -5.203 -10.184 -19.381 1.00 0.00 C ATOM 959 O ILE A 53 -4.481 -11.067 -18.960 1.00 0.00 O ATOM 960 CB ILE A 53 -4.934 -7.753 -19.087 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.607 -6.718 -18.010 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.825 -7.091 -20.116 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.700 -5.663 -18.609 1.00 0.00 C ATOM 0 H ILE A 53 -4.525 -9.866 -16.945 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.720 -8.890 -18.542 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.000 -8.096 -19.531 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.523 -6.260 -17.635 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.120 -7.197 -17.161 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.325 -6.209 -20.517 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.029 -7.792 -20.926 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.764 -6.795 -19.648 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.459 -4.918 -17.851 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.782 -6.131 -18.963 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.206 -5.180 -19.445 1.00 0.00 H new ATOM 975 N GLU A 54 -5.594 -10.135 -20.619 1.00 0.00 N ATOM 976 CA GLU A 54 -5.207 -11.135 -21.597 1.00 0.00 C ATOM 977 C GLU A 54 -5.137 -10.417 -22.941 1.00 0.00 C ATOM 978 O GLU A 54 -5.753 -9.379 -23.122 1.00 0.00 O ATOM 979 CB GLU A 54 -6.213 -12.265 -21.648 1.00 0.00 C ATOM 980 CG GLU A 54 -5.597 -13.543 -21.069 1.00 0.00 C ATOM 981 CD GLU A 54 -6.479 -14.741 -21.425 1.00 0.00 C ATOM 982 OE1 GLU A 54 -6.937 -14.799 -22.554 1.00 0.00 O ATOM 983 OE2 GLU A 54 -6.681 -15.579 -20.563 1.00 0.00 O ATOM 0 H GLU A 54 -6.195 -9.400 -20.992 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.248 -11.583 -21.336 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.105 -11.994 -21.084 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.527 -12.437 -22.678 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.592 -13.687 -21.466 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.503 -13.456 -19.987 1.00 0.00 H new ATOM 990 N MET A 55 -4.384 -10.931 -23.858 1.00 0.00 N ATOM 991 CA MET A 55 -4.227 -10.238 -25.180 1.00 0.00 C ATOM 992 C MET A 55 -5.165 -10.801 -26.238 1.00 0.00 C ATOM 993 O MET A 55 -4.974 -11.900 -26.729 1.00 0.00 O ATOM 994 CB MET A 55 -2.781 -10.400 -25.658 1.00 0.00 C ATOM 995 CG MET A 55 -2.401 -9.225 -26.584 1.00 0.00 C ATOM 996 SD MET A 55 -1.953 -9.843 -28.230 1.00 0.00 S ATOM 997 CE MET A 55 -0.662 -10.993 -27.697 1.00 0.00 C ATOM 0 H MET A 55 -3.864 -11.803 -23.761 1.00 0.00 H new ATOM 0 HA MET A 55 -4.477 -9.187 -25.038 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.107 -10.433 -24.802 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.668 -11.345 -26.189 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.237 -8.530 -26.664 1.00 0.00 H new ATOM 0 HG3 MET A 55 -1.566 -8.671 -26.156 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.150 -10.991 -28.424 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.279 -10.684 -26.724 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.078 -11.997 -27.621 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.175 -10.043 -26.609 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.107 -10.497 -27.631 1.00 0.00 C ATOM 1009 C LYS A 56 -6.805 -9.854 -28.991 1.00 0.00 C ATOM 1010 O LYS A 56 -6.292 -8.737 -29.059 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.501 -10.165 -27.199 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.063 -11.339 -26.409 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.601 -11.346 -26.478 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.171 -10.022 -25.938 1.00 0.00 C ATOM 1015 NZ LYS A 56 -11.888 -9.290 -27.033 1.00 0.00 N ATOM 0 H LYS A 56 -6.374 -9.119 -26.226 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.000 -11.575 -27.749 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.502 -9.263 -26.587 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.127 -9.961 -28.068 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.671 -12.275 -26.807 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.740 -11.274 -25.370 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.924 -11.494 -27.508 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.993 -12.181 -25.898 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.855 -10.220 -25.113 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.365 -9.404 -25.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.725 -8.268 -26.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.529 -9.608 -27.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.908 -9.486 -26.972 1.00 0.00 H new