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 Single : A 1 MET CE :methyl -149:sc= -0.216 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0965 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= 0.0864 (180deg=0.0371) 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 6:sc= 0.662 USER MOD Single : A 18 SER OG : rot 180:sc= 0.158 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= -0.418 (180deg=-0.685) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 0:sc= -4.28 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.022) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.1!) USER MOD Single : A 52 TYR OH : rot 130:sc= 0.495 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 153:sc= -0.267 (180deg=-1.61) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -4.155 -4.078 -31.279 1.00 0.00 N ATOM 125 CA MET A 1 -5.172 -5.098 -30.889 1.00 0.00 C ATOM 126 C MET A 1 -5.782 -4.729 -29.551 1.00 0.00 C ATOM 127 O MET A 1 -5.584 -3.632 -29.056 1.00 0.00 O ATOM 128 CB MET A 1 -4.512 -6.473 -30.804 1.00 0.00 C ATOM 129 CG MET A 1 -4.606 -7.151 -32.163 1.00 0.00 C ATOM 130 SD MET A 1 -3.169 -8.224 -32.416 1.00 0.00 S ATOM 131 CE MET A 1 -1.939 -6.913 -32.620 1.00 0.00 C ATOM 0 H1 MET A 1 -4.517 -3.513 -32.073 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.961 -3.454 -30.470 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.277 -4.555 -31.566 1.00 0.00 H new ATOM 0 HA MET A 1 -5.961 -5.128 -31.640 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.469 -6.372 -30.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.004 -7.081 -30.045 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.523 -7.736 -32.225 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.654 -6.400 -32.952 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.153 -7.253 -33.294 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.417 -6.027 -33.038 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.505 -6.668 -31.651 1.00 0.00 H new ATOM 141 N GLU A 2 -6.534 -5.628 -28.956 1.00 0.00 N ATOM 142 CA GLU A 2 -7.154 -5.327 -27.676 1.00 0.00 C ATOM 143 C GLU A 2 -6.695 -6.363 -26.679 1.00 0.00 C ATOM 144 O GLU A 2 -5.950 -7.267 -27.008 1.00 0.00 O ATOM 145 CB GLU A 2 -8.677 -5.397 -27.843 1.00 0.00 C ATOM 146 CG GLU A 2 -9.325 -4.124 -27.295 1.00 0.00 C ATOM 147 CD GLU A 2 -10.712 -3.946 -27.915 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.802 -3.956 -29.131 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.661 -3.802 -27.162 1.00 0.00 O ATOM 0 H GLU A 2 -6.731 -6.558 -29.326 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.876 -4.332 -27.328 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.930 -5.519 -28.896 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.069 -6.269 -27.318 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.406 -4.183 -26.210 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.701 -3.260 -27.521 1.00 0.00 H new ATOM 156 N ALA A 3 -7.132 -6.238 -25.479 1.00 0.00 N ATOM 157 CA ALA A 3 -6.744 -7.211 -24.432 1.00 0.00 C ATOM 158 C ALA A 3 -7.792 -7.237 -23.325 1.00 0.00 C ATOM 159 O ALA A 3 -7.994 -6.287 -22.607 1.00 0.00 O ATOM 160 CB ALA A 3 -5.406 -6.838 -23.887 1.00 0.00 C ATOM 0 H ALA A 3 -7.753 -5.493 -25.165 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.685 -8.210 -24.864 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.116 -7.551 -23.116 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.669 -6.852 -24.690 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.454 -5.838 -23.457 1.00 0.00 H new ATOM 166 N ILE A 4 -8.470 -8.330 -23.224 1.00 0.00 N ATOM 167 CA ILE A 4 -9.558 -8.494 -22.222 1.00 0.00 C ATOM 168 C ILE A 4 -9.075 -8.308 -20.798 1.00 0.00 C ATOM 169 O ILE A 4 -8.255 -9.043 -20.305 1.00 0.00 O ATOM 170 CB ILE A 4 -10.150 -9.893 -22.380 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.139 -10.196 -21.232 1.00 0.00 C ATOM 172 CG2 ILE A 4 -9.041 -10.938 -22.387 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.399 -10.760 -21.809 1.00 0.00 C ATOM 0 H ILE A 4 -8.315 -9.149 -23.812 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.306 -7.723 -22.406 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.686 -9.931 -23.329 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.696 -10.904 -20.531 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.356 -9.286 -20.672 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.477 -11.931 -22.500 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.362 -10.743 -23.217 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.489 -10.889 -21.448 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.102 -10.977 -21.005 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.842 -10.036 -22.493 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.172 -11.679 -22.350 1.00 0.00 H new ATOM 185 N ALA A 5 -9.668 -7.376 -20.124 1.00 0.00 N ATOM 186 CA ALA A 5 -9.336 -7.157 -18.676 1.00 0.00 C ATOM 187 C ALA A 5 -10.024 -8.267 -17.861 1.00 0.00 C ATOM 188 O ALA A 5 -11.229 -8.276 -17.711 1.00 0.00 O ATOM 189 CB ALA A 5 -9.866 -5.803 -18.209 1.00 0.00 C ATOM 0 H ALA A 5 -10.374 -6.746 -20.504 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.255 -7.178 -18.539 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.618 -5.658 -17.158 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.411 -5.010 -18.802 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.948 -5.773 -18.334 1.00 0.00 H new ATOM 195 N LYS A 6 -9.272 -9.212 -17.364 1.00 0.00 N ATOM 196 CA LYS A 6 -9.873 -10.339 -16.587 1.00 0.00 C ATOM 197 C LYS A 6 -10.496 -9.835 -15.277 1.00 0.00 C ATOM 198 O LYS A 6 -11.405 -10.445 -14.744 1.00 0.00 O ATOM 199 CB LYS A 6 -8.777 -11.352 -16.257 1.00 0.00 C ATOM 200 CG LYS A 6 -8.136 -11.839 -17.548 1.00 0.00 C ATOM 201 CD LYS A 6 -6.753 -12.420 -17.249 1.00 0.00 C ATOM 202 CE LYS A 6 -6.903 -13.702 -16.429 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.580 -14.084 -15.862 1.00 0.00 N ATOM 0 H LYS A 6 -8.258 -9.253 -17.463 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.656 -10.799 -17.190 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.025 -10.895 -15.614 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.198 -12.194 -15.707 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.766 -12.596 -18.015 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.050 -11.015 -18.256 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.227 -12.631 -18.180 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.153 -11.694 -16.701 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.625 -13.551 -15.627 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.288 -14.506 -17.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.715 -14.791 -15.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.983 -14.486 -16.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.116 -13.242 -15.465 1.00 0.00 H new ATOM 217 N TYR A 7 -10.008 -8.738 -14.744 1.00 0.00 N ATOM 218 CA TYR A 7 -10.573 -8.216 -13.449 1.00 0.00 C ATOM 219 C TYR A 7 -10.486 -6.704 -13.414 1.00 0.00 C ATOM 220 O TYR A 7 -10.133 -6.059 -14.384 1.00 0.00 O ATOM 221 CB TYR A 7 -9.786 -8.773 -12.252 1.00 0.00 C ATOM 222 CG TYR A 7 -9.557 -10.256 -12.405 1.00 0.00 C ATOM 223 CD1 TYR A 7 -8.519 -10.711 -13.212 1.00 0.00 C ATOM 224 CD2 TYR A 7 -10.371 -11.171 -11.727 1.00 0.00 C ATOM 225 CE1 TYR A 7 -8.284 -12.079 -13.353 1.00 0.00 C ATOM 226 CE2 TYR A 7 -10.142 -12.546 -11.866 1.00 0.00 C ATOM 227 CZ TYR A 7 -9.098 -13.001 -12.681 1.00 0.00 C ATOM 228 OH TYR A 7 -8.869 -14.355 -12.820 1.00 0.00 O ATOM 0 H TYR A 7 -9.250 -8.184 -15.143 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.613 -8.534 -13.385 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.828 -8.259 -12.170 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.332 -8.578 -11.329 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.892 -10.002 -13.732 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -11.174 -10.817 -11.098 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.476 -12.427 -13.979 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -10.770 -13.254 -11.345 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.522 -14.854 -12.286 1.00 0.00 H new ATOM 238 N ASP A 8 -10.824 -6.139 -12.291 1.00 0.00 N ATOM 239 CA ASP A 8 -10.792 -4.674 -12.143 1.00 0.00 C ATOM 240 C ASP A 8 -9.451 -4.233 -11.523 1.00 0.00 C ATOM 241 O ASP A 8 -8.690 -5.035 -11.020 1.00 0.00 O ATOM 242 CB ASP A 8 -11.985 -4.259 -11.267 1.00 0.00 C ATOM 243 CG ASP A 8 -11.752 -4.644 -9.793 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.103 -5.649 -9.558 1.00 0.00 O ATOM 245 OD2 ASP A 8 -12.229 -3.923 -8.931 1.00 0.00 O ATOM 0 H ASP A 8 -11.125 -6.646 -11.459 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.872 -4.185 -13.114 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.140 -3.183 -11.345 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.893 -4.739 -11.632 1.00 0.00 H new ATOM 250 N PHE A 9 -9.173 -2.958 -11.568 1.00 0.00 N ATOM 251 CA PHE A 9 -7.898 -2.414 -11.003 1.00 0.00 C ATOM 252 C PHE A 9 -7.786 -0.935 -11.398 1.00 0.00 C ATOM 253 O PHE A 9 -8.553 -0.445 -12.210 1.00 0.00 O ATOM 254 CB PHE A 9 -6.685 -3.192 -11.573 1.00 0.00 C ATOM 255 CG PHE A 9 -5.792 -3.667 -10.443 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.348 -4.303 -9.324 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.409 -3.469 -10.517 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.522 -4.741 -8.283 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.582 -3.906 -9.475 1.00 0.00 C ATOM 260 CZ PHE A 9 -4.137 -4.542 -8.359 1.00 0.00 C ATOM 0 H PHE A 9 -9.786 -2.255 -11.980 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.902 -2.520 -9.918 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.032 -4.045 -12.156 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.119 -2.553 -12.250 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.416 -4.455 -9.265 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.979 -2.979 -11.378 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.951 -5.232 -7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.515 -3.752 -9.533 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.498 -4.879 -7.556 1.00 0.00 H new ATOM 270 N LYS A 10 -6.840 -0.223 -10.839 1.00 0.00 N ATOM 271 CA LYS A 10 -6.681 1.224 -11.189 1.00 0.00 C ATOM 272 C LYS A 10 -5.259 1.507 -11.606 1.00 0.00 C ATOM 273 O LYS A 10 -4.413 0.629 -11.631 1.00 0.00 O ATOM 274 CB LYS A 10 -7.071 2.101 -9.985 1.00 0.00 C ATOM 275 CG LYS A 10 -6.113 1.855 -8.813 1.00 0.00 C ATOM 276 CD LYS A 10 -6.567 2.673 -7.602 1.00 0.00 C ATOM 277 CE LYS A 10 -5.492 2.619 -6.516 1.00 0.00 C ATOM 278 NZ LYS A 10 -5.563 3.853 -5.685 1.00 0.00 N ATOM 0 H LYS A 10 -6.171 -0.579 -10.156 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.340 1.461 -12.024 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.045 3.153 -10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.094 1.878 -9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.093 0.794 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.098 2.135 -9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.750 3.707 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.508 2.280 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.636 1.738 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.505 2.530 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.832 3.817 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.406 4.686 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.501 3.919 -5.241 1.00 0.00 H new ATOM 292 N ALA A 11 -4.998 2.733 -11.945 1.00 0.00 N ATOM 293 CA ALA A 11 -3.648 3.107 -12.380 1.00 0.00 C ATOM 294 C ALA A 11 -2.744 3.203 -11.145 1.00 0.00 C ATOM 295 O ALA A 11 -3.091 3.843 -10.167 1.00 0.00 O ATOM 296 CB ALA A 11 -3.693 4.447 -13.091 1.00 0.00 C ATOM 0 H ALA A 11 -5.676 3.495 -11.936 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.257 2.357 -13.068 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.689 4.722 -13.413 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.346 4.376 -13.961 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.077 5.207 -12.411 1.00 0.00 H new ATOM 302 N THR A 12 -1.599 2.574 -11.174 1.00 0.00 N ATOM 303 CA THR A 12 -0.679 2.627 -9.992 1.00 0.00 C ATOM 304 C THR A 12 0.591 3.400 -10.360 1.00 0.00 C ATOM 305 O THR A 12 1.696 2.986 -10.056 1.00 0.00 O ATOM 306 CB THR A 12 -0.308 1.200 -9.558 1.00 0.00 C ATOM 307 OG1 THR A 12 0.411 0.557 -10.599 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.580 0.410 -9.253 1.00 0.00 C ATOM 0 H THR A 12 -1.258 2.025 -11.963 1.00 0.00 H new ATOM 0 HA THR A 12 -1.183 3.133 -9.169 1.00 0.00 H new ATOM 0 HB THR A 12 0.313 1.246 -8.664 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.589 1.198 -11.318 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.315 -0.602 -8.945 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.130 0.901 -8.450 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.204 0.366 -10.146 1.00 0.00 H new ATOM 316 N ALA A 13 0.437 4.527 -11.009 1.00 0.00 N ATOM 317 CA ALA A 13 1.624 5.345 -11.403 1.00 0.00 C ATOM 318 C ALA A 13 1.169 6.574 -12.145 1.00 0.00 C ATOM 319 O ALA A 13 -0.009 6.781 -12.381 1.00 0.00 O ATOM 320 CB ALA A 13 2.553 4.530 -12.309 1.00 0.00 C ATOM 0 H ALA A 13 -0.464 4.917 -11.284 1.00 0.00 H new ATOM 0 HA ALA A 13 2.163 5.634 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.414 5.138 -12.589 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.894 3.642 -11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.014 4.230 -13.207 1.00 0.00 H new ATOM 326 N ASP A 14 2.102 7.391 -12.506 1.00 0.00 N ATOM 327 CA ASP A 14 1.783 8.631 -13.233 1.00 0.00 C ATOM 328 C ASP A 14 1.597 8.346 -14.733 1.00 0.00 C ATOM 329 O ASP A 14 1.351 9.248 -15.514 1.00 0.00 O ATOM 330 CB ASP A 14 2.933 9.580 -13.020 1.00 0.00 C ATOM 331 CG ASP A 14 2.458 11.025 -13.191 1.00 0.00 C ATOM 332 OD1 ASP A 14 1.636 11.259 -14.062 1.00 0.00 O ATOM 333 OD2 ASP A 14 2.924 11.872 -12.448 1.00 0.00 O ATOM 0 H ASP A 14 3.095 7.247 -12.323 1.00 0.00 H new ATOM 0 HA ASP A 14 0.852 9.062 -12.865 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.350 9.441 -12.022 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.730 9.364 -13.731 1.00 0.00 H new ATOM 338 N ASP A 15 1.703 7.097 -15.137 1.00 0.00 N ATOM 339 CA ASP A 15 1.527 6.750 -16.543 1.00 0.00 C ATOM 340 C ASP A 15 0.829 5.391 -16.634 1.00 0.00 C ATOM 341 O ASP A 15 1.026 4.644 -17.576 1.00 0.00 O ATOM 342 CB ASP A 15 2.892 6.682 -17.218 1.00 0.00 C ATOM 343 CG ASP A 15 3.240 8.053 -17.804 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.440 8.567 -18.567 1.00 0.00 O ATOM 345 OD2 ASP A 15 4.298 8.565 -17.477 1.00 0.00 O ATOM 0 H ASP A 15 1.908 6.308 -14.524 1.00 0.00 H new ATOM 0 HA ASP A 15 0.919 7.504 -17.044 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.651 6.379 -16.497 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.883 5.929 -18.006 1.00 0.00 H new ATOM 350 N GLU A 16 0.012 5.065 -15.652 1.00 0.00 N ATOM 351 CA GLU A 16 -0.697 3.761 -15.669 1.00 0.00 C ATOM 352 C GLU A 16 -2.134 3.977 -16.136 1.00 0.00 C ATOM 353 O GLU A 16 -2.538 5.087 -16.431 1.00 0.00 O ATOM 354 CB GLU A 16 -0.674 3.170 -14.262 1.00 0.00 C ATOM 355 CG GLU A 16 -0.769 1.642 -14.336 1.00 0.00 C ATOM 356 CD GLU A 16 0.462 1.006 -13.672 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.999 1.611 -12.759 1.00 0.00 O ATOM 358 OE2 GLU A 16 0.845 -0.070 -14.094 1.00 0.00 O ATOM 0 H GLU A 16 -0.187 5.654 -14.844 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.207 3.070 -16.354 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.243 3.462 -13.751 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.504 3.567 -13.678 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.677 1.301 -13.839 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.837 1.324 -15.376 1.00 0.00 H new ATOM 365 N LEU A 17 -2.902 2.920 -16.234 1.00 0.00 N ATOM 366 CA LEU A 17 -4.308 3.061 -16.715 1.00 0.00 C ATOM 367 C LEU A 17 -5.273 2.306 -15.792 1.00 0.00 C ATOM 368 O LEU A 17 -5.007 1.200 -15.361 1.00 0.00 O ATOM 369 CB LEU A 17 -4.379 2.513 -18.154 1.00 0.00 C ATOM 370 CG LEU A 17 -5.794 2.651 -18.732 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.152 4.140 -18.908 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.852 1.938 -20.109 1.00 0.00 C ATOM 0 H LEU A 17 -2.616 1.969 -16.002 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.605 4.110 -16.704 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.671 3.050 -18.786 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.081 1.465 -18.162 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.509 2.195 -18.047 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.158 4.226 -19.319 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.111 4.641 -17.941 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.441 4.607 -19.589 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.855 2.032 -20.526 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.133 2.397 -20.787 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.609 0.883 -19.983 1.00 0.00 H new ATOM 384 N SER A 18 -6.393 2.921 -15.476 1.00 0.00 N ATOM 385 CA SER A 18 -7.387 2.289 -14.572 1.00 0.00 C ATOM 386 C SER A 18 -8.490 1.607 -15.382 1.00 0.00 C ATOM 387 O SER A 18 -9.103 2.214 -16.236 1.00 0.00 O ATOM 388 CB SER A 18 -8.002 3.362 -13.719 1.00 0.00 C ATOM 389 OG SER A 18 -7.028 4.351 -13.415 1.00 0.00 O ATOM 0 H SER A 18 -6.655 3.846 -15.816 1.00 0.00 H new ATOM 0 HA SER A 18 -6.889 1.540 -13.956 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.844 3.816 -14.241 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.393 2.928 -12.799 1.00 0.00 H new ATOM 0 HG SER A 18 -7.433 5.050 -12.860 1.00 0.00 H new ATOM 395 N PHE A 19 -8.757 0.351 -15.106 1.00 0.00 N ATOM 396 CA PHE A 19 -9.835 -0.376 -15.852 1.00 0.00 C ATOM 397 C PHE A 19 -10.691 -1.170 -14.871 1.00 0.00 C ATOM 398 O PHE A 19 -10.434 -1.193 -13.691 1.00 0.00 O ATOM 399 CB PHE A 19 -9.206 -1.349 -16.856 1.00 0.00 C ATOM 400 CG PHE A 19 -8.217 -2.244 -16.144 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.645 -3.450 -15.578 1.00 0.00 C ATOM 402 CD2 PHE A 19 -6.873 -1.864 -16.052 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.727 -4.278 -14.920 1.00 0.00 C ATOM 404 CE2 PHE A 19 -5.956 -2.692 -15.394 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.383 -3.898 -14.828 1.00 0.00 C ATOM 0 H PHE A 19 -8.275 -0.201 -14.397 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.452 0.352 -16.380 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.982 -1.951 -17.329 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.705 -0.795 -17.649 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.682 -3.742 -15.649 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.544 -0.933 -16.488 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.056 -5.210 -14.484 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.919 -2.400 -15.323 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.675 -4.536 -14.320 1.00 0.00 H new ATOM 415 N LYS A 20 -11.709 -1.818 -15.367 1.00 0.00 N ATOM 416 CA LYS A 20 -12.598 -2.629 -14.492 1.00 0.00 C ATOM 417 C LYS A 20 -12.646 -4.059 -15.007 1.00 0.00 C ATOM 418 O LYS A 20 -12.045 -4.390 -16.013 1.00 0.00 O ATOM 419 CB LYS A 20 -13.999 -2.049 -14.533 1.00 0.00 C ATOM 420 CG LYS A 20 -13.945 -0.592 -14.119 1.00 0.00 C ATOM 421 CD LYS A 20 -13.757 -0.496 -12.605 1.00 0.00 C ATOM 422 CE LYS A 20 -14.295 0.845 -12.107 1.00 0.00 C ATOM 423 NZ LYS A 20 -13.957 1.013 -10.666 1.00 0.00 N ATOM 0 H LYS A 20 -11.965 -1.819 -16.354 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.215 -2.615 -13.471 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.414 -2.140 -15.537 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.656 -2.606 -13.865 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.125 -0.088 -14.630 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.864 -0.085 -14.414 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.279 -1.315 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.701 -0.592 -12.352 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.865 1.660 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.375 0.889 -12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.323 1.926 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.387 0.242 -10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.924 0.989 -10.547 1.00 0.00 H new ATOM 437 N ARG A 21 -13.366 -4.904 -14.326 1.00 0.00 N ATOM 438 CA ARG A 21 -13.480 -6.317 -14.756 1.00 0.00 C ATOM 439 C ARG A 21 -14.381 -6.394 -15.990 1.00 0.00 C ATOM 440 O ARG A 21 -15.574 -6.160 -15.916 1.00 0.00 O ATOM 441 CB ARG A 21 -14.091 -7.107 -13.619 1.00 0.00 C ATOM 442 CG ARG A 21 -14.176 -8.582 -13.976 1.00 0.00 C ATOM 443 CD ARG A 21 -14.524 -9.336 -12.710 1.00 0.00 C ATOM 444 NE ARG A 21 -14.166 -10.777 -12.861 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.054 -11.702 -12.606 1.00 0.00 C ATOM 446 NH1 ARG A 21 -15.846 -11.584 -11.575 1.00 0.00 N ATOM 447 NH2 ARG A 21 -15.149 -12.746 -13.384 1.00 0.00 N ATOM 0 H ARG A 21 -13.885 -4.669 -13.480 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.501 -6.725 -15.007 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.492 -6.980 -12.718 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.087 -6.723 -13.397 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.933 -8.748 -14.742 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.228 -8.933 -14.383 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.990 -8.907 -11.862 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.589 -9.237 -12.499 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.228 -11.040 -13.163 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.773 -10.769 -10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.538 -12.307 -11.378 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.531 -12.839 -14.190 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.841 -13.468 -13.186 1.00 0.00 H new ATOM 461 N GLY A 22 -13.813 -6.708 -17.122 1.00 0.00 N ATOM 462 CA GLY A 22 -14.620 -6.790 -18.375 1.00 0.00 C ATOM 463 C GLY A 22 -14.347 -5.556 -19.253 1.00 0.00 C ATOM 464 O GLY A 22 -14.973 -5.374 -20.282 1.00 0.00 O ATOM 0 H GLY A 22 -12.820 -6.912 -17.235 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.369 -7.699 -18.921 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.681 -6.847 -18.132 1.00 0.00 H new ATOM 468 N ASP A 23 -13.408 -4.711 -18.861 1.00 0.00 N ATOM 469 CA ASP A 23 -13.094 -3.532 -19.649 1.00 0.00 C ATOM 470 C ASP A 23 -11.873 -3.838 -20.494 1.00 0.00 C ATOM 471 O ASP A 23 -10.751 -3.733 -20.035 1.00 0.00 O ATOM 472 CB ASP A 23 -12.795 -2.356 -18.715 1.00 0.00 C ATOM 473 CG ASP A 23 -13.677 -1.156 -19.083 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.837 -1.374 -19.396 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.177 -0.044 -19.046 1.00 0.00 O ATOM 0 H ASP A 23 -12.855 -4.818 -18.011 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.937 -3.268 -20.288 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.976 -2.647 -17.680 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.743 -2.081 -18.789 1.00 0.00 H new ATOM 480 N ILE A 24 -12.079 -4.225 -21.709 1.00 0.00 N ATOM 481 CA ILE A 24 -10.926 -4.554 -22.591 1.00 0.00 C ATOM 482 C ILE A 24 -10.181 -3.264 -22.919 1.00 0.00 C ATOM 483 O ILE A 24 -10.771 -2.207 -23.043 1.00 0.00 O ATOM 484 CB ILE A 24 -11.404 -5.254 -23.871 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.520 -6.284 -23.511 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.197 -5.969 -24.491 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.758 -7.271 -24.660 1.00 0.00 C ATOM 0 H ILE A 24 -12.998 -4.331 -22.138 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.254 -5.241 -22.078 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.815 -4.535 -24.579 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.237 -6.831 -22.612 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.446 -5.756 -23.285 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.505 -6.477 -25.405 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.423 -5.239 -24.726 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.804 -6.700 -23.784 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.541 -7.975 -24.378 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.065 -6.724 -25.552 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.837 -7.816 -24.868 1.00 0.00 H new ATOM 499 N LEU A 25 -8.881 -3.342 -23.035 1.00 0.00 N ATOM 500 CA LEU A 25 -8.070 -2.123 -23.327 1.00 0.00 C ATOM 501 C LEU A 25 -7.566 -2.179 -24.765 1.00 0.00 C ATOM 502 O LEU A 25 -7.580 -3.225 -25.394 1.00 0.00 O ATOM 503 CB LEU A 25 -6.842 -2.044 -22.377 1.00 0.00 C ATOM 504 CG LEU A 25 -7.162 -2.505 -20.917 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.476 -1.906 -20.399 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.228 -4.037 -20.844 1.00 0.00 C ATOM 0 H LEU A 25 -8.343 -4.203 -22.939 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.701 -1.246 -23.178 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.040 -2.663 -22.779 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.473 -1.018 -22.355 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.355 -2.142 -20.280 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.658 -2.253 -19.382 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.407 -0.818 -20.404 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.298 -2.221 -21.042 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.451 -4.343 -19.822 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.010 -4.400 -21.511 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.269 -4.457 -21.147 1.00 0.00 H new ATOM 518 N LYS A 26 -7.088 -1.065 -25.285 1.00 0.00 N ATOM 519 CA LYS A 26 -6.553 -1.067 -26.683 1.00 0.00 C ATOM 520 C LYS A 26 -5.032 -1.000 -26.597 1.00 0.00 C ATOM 521 O LYS A 26 -4.469 0.031 -26.284 1.00 0.00 O ATOM 522 CB LYS A 26 -7.105 0.140 -27.470 1.00 0.00 C ATOM 523 CG LYS A 26 -7.385 -0.282 -28.916 1.00 0.00 C ATOM 524 CD LYS A 26 -6.179 0.062 -29.798 1.00 0.00 C ATOM 525 CE LYS A 26 -6.443 1.371 -30.550 1.00 0.00 C ATOM 526 NZ LYS A 26 -6.856 2.429 -29.583 1.00 0.00 N ATOM 0 H LYS A 26 -7.047 -0.167 -24.804 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.861 -1.971 -27.208 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.019 0.506 -27.003 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.387 0.960 -27.451 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.586 -1.352 -28.960 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.276 0.225 -29.287 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.284 0.159 -29.184 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.994 -0.745 -30.507 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.545 1.683 -31.084 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.223 1.222 -31.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.903 3.346 -30.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.791 2.196 -29.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.162 2.483 -28.811 1.00 0.00 H new ATOM 540 N VAL A 27 -4.355 -2.107 -26.842 1.00 0.00 N ATOM 541 CA VAL A 27 -2.857 -2.120 -26.736 1.00 0.00 C ATOM 542 C VAL A 27 -2.244 -0.961 -27.534 1.00 0.00 C ATOM 543 O VAL A 27 -2.301 -0.912 -28.748 1.00 0.00 O ATOM 544 CB VAL A 27 -2.300 -3.457 -27.239 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.790 -3.512 -26.974 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.977 -4.608 -26.487 1.00 0.00 C ATOM 0 H VAL A 27 -4.776 -2.997 -27.109 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.589 -1.996 -25.687 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.493 -3.549 -28.308 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.392 -4.462 -27.331 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.298 -2.693 -27.499 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.605 -3.420 -25.904 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.581 -5.559 -26.844 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.780 -4.511 -25.419 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.052 -4.574 -26.662 1.00 0.00 H new ATOM 556 N LEU A 28 -1.658 -0.041 -26.830 1.00 0.00 N ATOM 557 CA LEU A 28 -1.016 1.134 -27.461 1.00 0.00 C ATOM 558 C LEU A 28 0.435 0.799 -27.731 1.00 0.00 C ATOM 559 O LEU A 28 0.980 1.120 -28.772 1.00 0.00 O ATOM 560 CB LEU A 28 -1.067 2.309 -26.475 1.00 0.00 C ATOM 561 CG LEU A 28 -2.116 3.327 -26.893 1.00 0.00 C ATOM 562 CD1 LEU A 28 -3.498 2.671 -26.903 1.00 0.00 C ATOM 563 CD2 LEU A 28 -2.096 4.482 -25.882 1.00 0.00 C ATOM 0 H LEU A 28 -1.597 -0.057 -25.812 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.528 1.394 -28.388 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.292 1.939 -25.475 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.090 2.789 -26.425 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.900 3.701 -27.894 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.247 3.404 -27.203 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.501 1.840 -27.608 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.732 2.301 -25.905 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.842 5.225 -26.163 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.323 4.099 -24.887 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.109 4.944 -25.877 1.00 0.00 H new ATOM 575 N ASN A 29 1.074 0.166 -26.779 1.00 0.00 N ATOM 576 CA ASN A 29 2.511 -0.180 -26.956 1.00 0.00 C ATOM 577 C ASN A 29 2.926 -1.250 -25.947 1.00 0.00 C ATOM 578 O ASN A 29 2.165 -1.625 -25.078 1.00 0.00 O ATOM 579 CB ASN A 29 3.360 1.074 -26.748 1.00 0.00 C ATOM 580 CG ASN A 29 4.607 0.995 -27.627 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.660 0.589 -27.176 1.00 0.00 O ATOM 582 ND2 ASN A 29 4.534 1.370 -28.876 1.00 0.00 N ATOM 0 H ASN A 29 0.662 -0.124 -25.892 1.00 0.00 H new ATOM 0 HA ASN A 29 2.663 -0.568 -27.963 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.782 1.964 -26.998 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.646 1.163 -25.700 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.360 1.322 -29.472 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.651 1.711 -29.255 1.00 0.00 H new ATOM 673 N TRP A 36 3.388 -5.667 -18.036 1.00 0.00 N ATOM 674 CA TRP A 36 2.344 -4.598 -18.204 1.00 0.00 C ATOM 675 C TRP A 36 2.489 -3.993 -19.613 1.00 0.00 C ATOM 676 O TRP A 36 3.589 -3.847 -20.117 1.00 0.00 O ATOM 677 CB TRP A 36 2.515 -3.469 -17.155 1.00 0.00 C ATOM 678 CG TRP A 36 2.670 -4.007 -15.739 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.617 -4.895 -15.325 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.900 -3.659 -14.533 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.467 -5.112 -13.966 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.436 -4.376 -13.434 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.799 -2.803 -14.282 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.915 -4.249 -12.143 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.279 -2.678 -12.976 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.841 -3.395 -11.914 1.00 0.00 C ATOM 0 HA TRP A 36 1.360 -5.047 -18.066 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.389 -2.870 -17.410 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.651 -2.806 -17.196 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.364 -5.355 -15.955 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.054 -5.745 -13.423 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.356 -2.244 -15.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.344 -4.811 -11.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.560 -2.023 -12.795 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.441 -3.285 -10.917 1.00 0.00 H new ATOM 697 N TYR A 37 1.393 -3.642 -20.258 1.00 0.00 N ATOM 698 CA TYR A 37 1.486 -3.054 -21.637 1.00 0.00 C ATOM 699 C TYR A 37 0.813 -1.699 -21.696 1.00 0.00 C ATOM 700 O TYR A 37 -0.259 -1.515 -21.158 1.00 0.00 O ATOM 701 CB TYR A 37 0.725 -3.900 -22.667 1.00 0.00 C ATOM 702 CG TYR A 37 0.819 -5.370 -22.408 1.00 0.00 C ATOM 703 CD1 TYR A 37 2.056 -5.988 -22.240 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.359 -6.122 -22.377 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.117 -7.368 -22.034 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.308 -7.493 -22.179 1.00 0.00 C ATOM 707 CZ TYR A 37 0.938 -8.124 -22.005 1.00 0.00 C ATOM 708 OH TYR A 37 1.010 -9.482 -21.819 1.00 0.00 O ATOM 0 H TYR A 37 0.446 -3.737 -19.890 1.00 0.00 H new ATOM 0 HA TYR A 37 2.552 -3.003 -21.858 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.324 -3.604 -22.667 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.116 -3.687 -23.662 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.963 -5.403 -22.269 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.313 -5.633 -22.508 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.073 -7.852 -21.897 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.219 -8.073 -22.158 1.00 0.00 H new ATOM 0 HH TYR A 37 1.948 -9.750 -21.727 1.00 0.00 H new ATOM 718 N LYS A 38 1.365 -0.778 -22.455 1.00 0.00 N ATOM 719 CA LYS A 38 0.674 0.530 -22.649 1.00 0.00 C ATOM 720 C LYS A 38 -0.675 0.202 -23.301 1.00 0.00 C ATOM 721 O LYS A 38 -0.782 -0.802 -23.986 1.00 0.00 O ATOM 722 CB LYS A 38 1.499 1.410 -23.571 1.00 0.00 C ATOM 723 CG LYS A 38 0.820 2.768 -23.701 1.00 0.00 C ATOM 724 CD LYS A 38 1.532 3.583 -24.773 1.00 0.00 C ATOM 725 CE LYS A 38 2.533 4.533 -24.110 1.00 0.00 C ATOM 726 NZ LYS A 38 2.771 5.708 -24.999 1.00 0.00 N ATOM 0 H LYS A 38 2.256 -0.878 -22.942 1.00 0.00 H new ATOM 0 HA LYS A 38 0.541 1.063 -21.708 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.507 1.530 -23.174 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.596 0.942 -24.551 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.230 2.639 -23.963 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.849 3.295 -22.747 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.048 2.919 -25.467 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.806 4.151 -25.356 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.150 4.866 -23.145 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.472 4.013 -23.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.451 6.353 -24.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.154 5.383 -25.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.874 6.209 -25.160 1.00 0.00 H new ATOM 740 N ALA A 39 -1.705 0.979 -23.080 1.00 0.00 N ATOM 741 CA ALA A 39 -3.029 0.617 -23.694 1.00 0.00 C ATOM 742 C ALA A 39 -4.039 1.705 -23.558 1.00 0.00 C ATOM 743 O ALA A 39 -3.745 2.826 -23.214 1.00 0.00 O ATOM 744 CB ALA A 39 -3.552 -0.671 -23.063 1.00 0.00 C ATOM 0 H ALA A 39 -1.695 1.829 -22.516 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.866 0.469 -24.761 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.512 -0.931 -23.510 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.840 -1.477 -23.238 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.679 -0.525 -21.990 1.00 0.00 H new ATOM 750 N GLU A 40 -5.221 1.385 -23.954 1.00 0.00 N ATOM 751 CA GLU A 40 -6.288 2.354 -24.005 1.00 0.00 C ATOM 752 C GLU A 40 -7.530 1.907 -23.219 1.00 0.00 C ATOM 753 O GLU A 40 -7.737 0.753 -22.925 1.00 0.00 O ATOM 754 CB GLU A 40 -6.633 2.439 -25.472 1.00 0.00 C ATOM 755 CG GLU A 40 -6.992 3.851 -25.875 1.00 0.00 C ATOM 756 CD GLU A 40 -5.733 4.722 -25.923 1.00 0.00 C ATOM 757 OE1 GLU A 40 -4.796 4.417 -25.207 1.00 0.00 O ATOM 758 OE2 GLU A 40 -5.730 5.682 -26.675 1.00 0.00 O ATOM 0 H GLU A 40 -5.488 0.447 -24.254 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.978 3.300 -23.562 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.787 2.094 -26.066 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.468 1.774 -25.690 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.478 3.846 -26.851 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.706 4.269 -25.166 1.00 0.00 H new ATOM 765 N LEU A 41 -8.365 2.846 -22.954 1.00 0.00 N ATOM 766 CA LEU A 41 -9.671 2.591 -22.259 1.00 0.00 C ATOM 767 C LEU A 41 -10.706 3.522 -22.754 1.00 0.00 C ATOM 768 O LEU A 41 -10.905 4.608 -22.256 1.00 0.00 O ATOM 769 CB LEU A 41 -9.575 2.674 -20.750 1.00 0.00 C ATOM 770 CG LEU A 41 -9.267 1.300 -20.236 1.00 0.00 C ATOM 771 CD1 LEU A 41 -8.730 1.379 -18.804 1.00 0.00 C ATOM 772 CD2 LEU A 41 -10.569 0.492 -20.266 1.00 0.00 C ATOM 0 H LEU A 41 -8.206 3.825 -23.193 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.951 1.565 -22.497 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.796 3.376 -20.455 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.511 3.040 -20.327 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.506 0.824 -20.854 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.510 0.375 -18.442 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.819 1.978 -18.789 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.478 1.841 -18.160 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.380 -0.516 -19.897 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.313 0.977 -19.633 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.942 0.440 -21.289 1.00 0.00 H new ATOM 784 N ASN A 42 -11.396 3.067 -23.732 1.00 0.00 N ATOM 785 CA ASN A 42 -12.493 3.850 -24.346 1.00 0.00 C ATOM 786 C ASN A 42 -12.087 5.323 -24.615 1.00 0.00 C ATOM 787 O ASN A 42 -12.937 6.191 -24.715 1.00 0.00 O ATOM 788 CB ASN A 42 -13.670 3.834 -23.404 1.00 0.00 C ATOM 789 CG ASN A 42 -14.575 2.638 -23.718 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.875 1.846 -22.847 1.00 0.00 O ATOM 791 ND2 ASN A 42 -15.023 2.473 -24.933 1.00 0.00 N ATOM 0 H ASN A 42 -11.247 2.151 -24.154 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.739 3.395 -25.306 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.321 3.776 -22.373 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.234 4.762 -23.497 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.625 1.679 -25.151 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.771 3.138 -25.664 1.00 0.00 H new ATOM 798 N GLY A 43 -10.815 5.604 -24.732 1.00 0.00 N ATOM 799 CA GLY A 43 -10.378 7.019 -24.994 1.00 0.00 C ATOM 800 C GLY A 43 -9.112 7.365 -24.186 1.00 0.00 C ATOM 801 O GLY A 43 -8.218 8.024 -24.686 1.00 0.00 O ATOM 0 H GLY A 43 -10.059 4.923 -24.659 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.182 7.152 -26.058 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.182 7.706 -24.730 1.00 0.00 H new ATOM 805 N LYS A 44 -9.021 6.921 -22.947 1.00 0.00 N ATOM 806 CA LYS A 44 -7.841 7.207 -22.135 1.00 0.00 C ATOM 807 C LYS A 44 -6.765 6.240 -22.504 1.00 0.00 C ATOM 808 O LYS A 44 -6.881 5.503 -23.467 1.00 0.00 O ATOM 809 CB LYS A 44 -8.188 7.054 -20.662 1.00 0.00 C ATOM 810 CG LYS A 44 -8.672 8.394 -20.123 1.00 0.00 C ATOM 811 CD LYS A 44 -9.427 8.184 -18.807 1.00 0.00 C ATOM 812 CE LYS A 44 -8.481 7.586 -17.765 1.00 0.00 C ATOM 813 NZ LYS A 44 -9.271 7.094 -16.600 1.00 0.00 N ATOM 0 H LYS A 44 -9.738 6.366 -22.480 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.500 8.227 -22.314 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.961 6.296 -20.534 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.315 6.717 -20.103 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.824 9.060 -19.964 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.323 8.876 -20.853 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.826 9.133 -18.449 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.277 7.520 -18.965 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.911 6.767 -18.203 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.761 8.337 -17.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.628 6.687 -15.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.796 7.886 -16.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.941 6.365 -16.918 1.00 0.00 H new ATOM 827 N ASP A 45 -5.712 6.252 -21.774 1.00 0.00 N ATOM 828 CA ASP A 45 -4.614 5.362 -22.076 1.00 0.00 C ATOM 829 C ASP A 45 -3.722 5.107 -20.838 1.00 0.00 C ATOM 830 O ASP A 45 -3.978 5.596 -19.755 1.00 0.00 O ATOM 831 CB ASP A 45 -3.828 6.010 -23.216 1.00 0.00 C ATOM 832 CG ASP A 45 -2.835 7.077 -22.702 1.00 0.00 C ATOM 833 OD1 ASP A 45 -3.270 8.188 -22.447 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.664 6.758 -22.576 1.00 0.00 O ATOM 0 H ASP A 45 -5.571 6.857 -20.965 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.985 4.381 -22.372 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.283 5.241 -23.763 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.522 6.470 -23.919 1.00 0.00 H new ATOM 839 N GLY A 46 -2.660 4.360 -21.027 1.00 0.00 N ATOM 840 CA GLY A 46 -1.713 4.073 -19.908 1.00 0.00 C ATOM 841 C GLY A 46 -1.398 2.564 -19.825 1.00 0.00 C ATOM 842 O GLY A 46 -2.113 1.736 -20.352 1.00 0.00 O ATOM 0 H GLY A 46 -2.408 3.934 -21.919 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.790 4.634 -20.055 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.144 4.411 -18.966 1.00 0.00 H new ATOM 846 N PHE A 47 -0.311 2.215 -19.165 1.00 0.00 N ATOM 847 CA PHE A 47 0.096 0.769 -19.044 1.00 0.00 C ATOM 848 C PHE A 47 -0.879 -0.005 -18.165 1.00 0.00 C ATOM 849 O PHE A 47 -1.562 0.564 -17.337 1.00 0.00 O ATOM 850 CB PHE A 47 1.488 0.691 -18.419 1.00 0.00 C ATOM 851 CG PHE A 47 2.511 1.169 -19.415 1.00 0.00 C ATOM 852 CD1 PHE A 47 2.823 2.531 -19.498 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.147 0.252 -20.259 1.00 0.00 C ATOM 854 CE1 PHE A 47 3.773 2.975 -20.424 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.096 0.696 -21.185 1.00 0.00 C ATOM 856 CZ PHE A 47 4.410 2.058 -21.267 1.00 0.00 C ATOM 0 H PHE A 47 0.315 2.874 -18.702 1.00 0.00 H new ATOM 0 HA PHE A 47 0.095 0.328 -20.041 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.529 1.302 -17.518 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.707 -0.334 -18.119 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.331 3.239 -18.848 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.905 -0.799 -20.195 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.015 4.026 -20.488 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.587 -0.012 -21.837 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.144 2.401 -21.981 1.00 0.00 H new ATOM 866 N ILE A 48 -0.942 -1.316 -18.332 1.00 0.00 N ATOM 867 CA ILE A 48 -1.869 -2.124 -17.492 1.00 0.00 C ATOM 868 C ILE A 48 -1.209 -3.487 -17.175 1.00 0.00 C ATOM 869 O ILE A 48 -0.618 -4.077 -18.041 1.00 0.00 O ATOM 870 CB ILE A 48 -3.177 -2.350 -18.256 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.866 -2.918 -19.649 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.919 -1.021 -18.401 1.00 0.00 C ATOM 873 CD1 ILE A 48 -4.167 -3.302 -20.355 1.00 0.00 C ATOM 0 H ILE A 48 -0.393 -1.846 -19.009 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.080 -1.597 -16.562 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.800 -3.056 -17.707 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.325 -2.179 -20.240 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.219 -3.791 -19.560 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.850 -1.181 -18.945 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.141 -0.618 -17.413 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.296 -0.314 -18.949 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.940 -3.704 -21.342 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.691 -4.056 -19.768 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.799 -2.420 -20.459 1.00 0.00 H new ATOM 885 N PRO A 49 -1.335 -3.969 -15.943 1.00 0.00 N ATOM 886 CA PRO A 49 -0.744 -5.263 -15.565 1.00 0.00 C ATOM 887 C PRO A 49 -1.464 -6.405 -16.269 1.00 0.00 C ATOM 888 O PRO A 49 -2.584 -6.708 -15.975 1.00 0.00 O ATOM 889 CB PRO A 49 -0.926 -5.340 -14.050 1.00 0.00 C ATOM 890 CG PRO A 49 -2.076 -4.349 -13.710 1.00 0.00 C ATOM 891 CD PRO A 49 -2.075 -3.305 -14.853 1.00 0.00 C ATOM 0 HA PRO A 49 0.304 -5.346 -15.852 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.178 -6.353 -13.738 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.007 -5.066 -13.531 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.034 -4.865 -13.651 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.911 -3.873 -12.744 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.089 -3.047 -15.159 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.589 -2.379 -14.547 1.00 0.00 H new ATOM 899 N LYS A 50 -0.806 -7.009 -17.210 1.00 0.00 N ATOM 900 CA LYS A 50 -1.392 -8.142 -17.999 1.00 0.00 C ATOM 901 C LYS A 50 -1.982 -9.253 -17.083 1.00 0.00 C ATOM 902 O LYS A 50 -2.772 -10.050 -17.532 1.00 0.00 O ATOM 903 CB LYS A 50 -0.260 -8.704 -18.853 1.00 0.00 C ATOM 904 CG LYS A 50 -0.698 -9.923 -19.672 1.00 0.00 C ATOM 905 CD LYS A 50 0.417 -10.963 -19.599 1.00 0.00 C ATOM 906 CE LYS A 50 0.214 -12.026 -20.684 1.00 0.00 C ATOM 907 NZ LYS A 50 1.257 -13.081 -20.544 1.00 0.00 N ATOM 0 H LYS A 50 0.146 -6.762 -17.480 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.221 -7.782 -18.609 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.103 -7.928 -19.527 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.574 -8.983 -18.209 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.628 -10.333 -19.278 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.888 -9.639 -20.707 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.385 -10.480 -19.728 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.424 -11.432 -18.615 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.779 -12.467 -20.596 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.273 -11.569 -21.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.121 -13.803 -21.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.199 -12.654 -20.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.180 -13.523 -19.606 1.00 0.00 H new ATOM 921 N ASN A 51 -1.602 -9.327 -15.823 1.00 0.00 N ATOM 922 CA ASN A 51 -2.144 -10.378 -14.941 1.00 0.00 C ATOM 923 C ASN A 51 -3.666 -10.265 -14.845 1.00 0.00 C ATOM 924 O ASN A 51 -4.368 -11.253 -14.745 1.00 0.00 O ATOM 925 CB ASN A 51 -1.517 -10.224 -13.594 1.00 0.00 C ATOM 926 CG ASN A 51 -0.233 -11.054 -13.515 1.00 0.00 C ATOM 927 OD1 ASN A 51 -0.125 -12.087 -14.145 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.748 -10.643 -12.762 1.00 0.00 N ATOM 0 H ASN A 51 -0.936 -8.694 -15.381 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.914 -11.363 -15.347 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.293 -9.174 -13.406 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.215 -10.544 -12.820 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.608 -11.189 -12.701 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.656 -9.775 -12.233 1.00 0.00 H new ATOM 935 N TYR A 52 -4.171 -9.071 -14.921 1.00 0.00 N ATOM 936 CA TYR A 52 -5.643 -8.858 -14.888 1.00 0.00 C ATOM 937 C TYR A 52 -6.079 -8.632 -16.307 1.00 0.00 C ATOM 938 O TYR A 52 -6.926 -7.794 -16.587 1.00 0.00 O ATOM 939 CB TYR A 52 -5.968 -7.586 -14.084 1.00 0.00 C ATOM 940 CG TYR A 52 -5.850 -7.768 -12.618 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.889 -8.604 -12.045 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.698 -7.031 -11.822 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.797 -8.690 -10.669 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.618 -7.117 -10.460 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.664 -7.946 -9.865 1.00 0.00 C ATOM 946 OH TYR A 52 -5.573 -8.024 -8.491 1.00 0.00 O ATOM 0 H TYR A 52 -3.618 -8.218 -15.006 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.143 -9.712 -14.432 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.298 -6.786 -14.398 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.982 -7.264 -14.322 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.223 -9.178 -12.672 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.431 -6.381 -12.277 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.056 -9.332 -10.216 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.293 -6.543 -9.843 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.536 -7.120 -8.114 1.00 0.00 H new ATOM 956 N ILE A 53 -5.465 -9.327 -17.232 1.00 0.00 N ATOM 957 CA ILE A 53 -5.799 -9.108 -18.640 1.00 0.00 C ATOM 958 C ILE A 53 -5.424 -10.319 -19.503 1.00 0.00 C ATOM 959 O ILE A 53 -4.793 -11.259 -19.065 1.00 0.00 O ATOM 960 CB ILE A 53 -5.037 -7.890 -19.200 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.646 -6.892 -18.103 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.902 -7.171 -20.218 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.759 -5.812 -18.693 1.00 0.00 C ATOM 0 H ILE A 53 -4.750 -10.032 -17.056 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.875 -8.942 -18.680 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.124 -8.268 -19.660 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.540 -6.445 -17.668 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.123 -7.407 -17.298 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.361 -6.311 -20.612 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.145 -7.851 -21.034 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.822 -6.834 -19.740 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.481 -5.103 -17.913 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.859 -6.266 -19.107 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.298 -5.290 -19.483 1.00 0.00 H new ATOM 975 N GLU A 54 -5.774 -10.238 -20.755 1.00 0.00 N ATOM 976 CA GLU A 54 -5.445 -11.273 -21.726 1.00 0.00 C ATOM 977 C GLU A 54 -5.386 -10.589 -23.091 1.00 0.00 C ATOM 978 O GLU A 54 -5.940 -9.519 -23.272 1.00 0.00 O ATOM 979 CB GLU A 54 -6.491 -12.367 -21.720 1.00 0.00 C ATOM 980 CG GLU A 54 -5.891 -13.664 -21.167 1.00 0.00 C ATOM 981 CD GLU A 54 -6.780 -14.846 -21.556 1.00 0.00 C ATOM 982 OE1 GLU A 54 -7.263 -14.854 -22.677 1.00 0.00 O ATOM 983 OE2 GLU A 54 -6.965 -15.721 -20.728 1.00 0.00 O ATOM 0 H GLU A 54 -6.298 -9.454 -21.144 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.493 -11.745 -21.484 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.343 -12.063 -21.112 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.863 -12.531 -22.731 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.885 -13.808 -21.560 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.804 -13.603 -20.082 1.00 0.00 H new ATOM 990 N MET A 55 -4.698 -11.167 -24.025 1.00 0.00 N ATOM 991 CA MET A 55 -4.544 -10.504 -25.366 1.00 0.00 C ATOM 992 C MET A 55 -5.534 -11.017 -26.409 1.00 0.00 C ATOM 993 O MET A 55 -5.427 -12.133 -26.885 1.00 0.00 O ATOM 994 CB MET A 55 -3.124 -10.747 -25.874 1.00 0.00 C ATOM 995 CG MET A 55 -2.717 -9.611 -26.811 1.00 0.00 C ATOM 996 SD MET A 55 -1.024 -9.882 -27.389 1.00 0.00 S ATOM 997 CE MET A 55 -0.631 -8.153 -27.755 1.00 0.00 C ATOM 0 H MET A 55 -4.231 -12.069 -23.931 1.00 0.00 H new ATOM 0 HA MET A 55 -4.747 -9.442 -25.225 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.431 -10.806 -25.035 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.072 -11.701 -26.398 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.399 -9.564 -27.660 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.787 -8.655 -26.292 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.389 -8.084 -28.133 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.323 -7.774 -28.507 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.722 -7.559 -26.846 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.477 -10.184 -26.798 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.436 -10.563 -27.819 1.00 0.00 C ATOM 1009 C LYS A 56 -7.104 -9.895 -29.155 1.00 0.00 C ATOM 1010 O LYS A 56 -6.436 -8.863 -29.195 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.815 -10.170 -27.374 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.435 -11.325 -26.611 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.959 -11.269 -26.741 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.544 -10.471 -25.581 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.961 -10.122 -25.886 1.00 0.00 N ATOM 0 H LYS A 56 -6.601 -9.243 -26.425 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.390 -11.643 -27.962 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.768 -9.283 -26.742 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.431 -9.915 -28.237 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.062 -12.272 -27.000 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.148 -11.276 -25.561 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.236 -10.808 -27.689 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.371 -12.278 -26.745 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.491 -11.053 -24.661 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.961 -9.564 -25.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.489 -10.006 -24.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.991 -9.233 -26.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.393 -10.883 -26.448 1.00 0.00 H new