USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 490 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 23 SER OG : rot 74:sc= 1.25 USER MOD Set 1.2: A 45 CYS SG : rot 135:sc= -0.329 USER MOD Set 2.1: A 27 HIS :FLIP no HD1:sc= -1.66 X(o=-11,f=-10) USER MOD Set 2.2: A 31 HIS :FLIP no HD1:sc= -8.74! C(o=-13!,f=-10!) USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= -0.0515 (180deg=-0.205) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.398 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN :FLIP amide:sc= -1.86 F(o=-2.9,f=-1.9) USER MOD Single : A 22 THR OG1 : rot 95:sc= 1.24 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0982 USER MOD Single : A 35 SER OG : rot 45:sc= 1.16 USER MOD Single : A 37 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.77) USER MOD Single : A 42 SER OG : rot -174:sc= -1.54 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -58:sc= 0.83 USER MOD Single : A 50 LYS NZ :NH3+ -135:sc=-0.00159 (180deg=-0.194) USER MOD Single : A 51 THR OG1 : rot -105:sc= 0.311 USER MOD Single : A 52 MET CE :methyl -150:sc= -1.86 (180deg=-2.56) USER MOD Single : A 53 SER OG : rot 180:sc= 0.00817 USER MOD Single : A 55 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0511) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -106:sc= 0.133 USER MOD Single : A 59 LYS NZ :NH3+ -137:sc= -0.0209 (180deg=-0.225) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -13.027 11.488 -1.786 1.00 0.00 N ATOM 164 CA LYS A 12 -12.654 10.396 -2.735 1.00 0.00 C ATOM 165 C LYS A 12 -13.680 9.263 -2.668 1.00 0.00 C ATOM 166 O LYS A 12 -14.742 9.409 -2.092 1.00 0.00 O ATOM 167 CB LYS A 12 -11.285 9.910 -2.260 1.00 0.00 C ATOM 168 CG LYS A 12 -10.251 11.021 -2.454 1.00 0.00 C ATOM 169 CD LYS A 12 -9.212 10.958 -1.332 1.00 0.00 C ATOM 170 CE LYS A 12 -9.602 11.928 -0.211 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.125 11.064 0.884 1.00 0.00 N ATOM 0 HA LYS A 12 -12.628 10.738 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.334 9.624 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.989 9.022 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.762 10.912 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.743 11.994 -2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.146 9.943 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.227 11.214 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.744 12.511 0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.357 12.638 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.221 11.626 1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.054 10.684 0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.465 10.278 1.051 1.00 0.00 H new ATOM 185 N MET A 13 -13.369 8.135 -3.255 1.00 0.00 N ATOM 186 CA MET A 13 -14.319 6.983 -3.233 1.00 0.00 C ATOM 187 C MET A 13 -13.708 5.807 -2.467 1.00 0.00 C ATOM 188 O MET A 13 -12.797 5.977 -1.678 1.00 0.00 O ATOM 189 CB MET A 13 -14.529 6.617 -4.704 1.00 0.00 C ATOM 190 CG MET A 13 -15.996 6.251 -4.938 1.00 0.00 C ATOM 191 SD MET A 13 -16.971 7.765 -5.123 1.00 0.00 S ATOM 192 CE MET A 13 -18.349 7.035 -6.043 1.00 0.00 C ATOM 0 H MET A 13 -12.494 7.962 -3.750 1.00 0.00 H new ATOM 0 HA MET A 13 -15.257 7.230 -2.736 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.247 7.455 -5.341 1.00 0.00 H new ATOM 0 HB3 MET A 13 -13.887 5.779 -4.976 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.090 5.633 -5.831 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.373 5.662 -4.102 1.00 0.00 H new ATOM 0 HE1 MET A 13 -19.085 7.806 -6.268 1.00 0.00 H new ATOM 0 HE2 MET A 13 -17.978 6.605 -6.973 1.00 0.00 H new ATOM 0 HE3 MET A 13 -18.814 6.254 -5.442 1.00 0.00 H new ATOM 202 N SER A 14 -14.203 4.618 -2.696 1.00 0.00 N ATOM 203 CA SER A 14 -13.658 3.423 -1.985 1.00 0.00 C ATOM 204 C SER A 14 -14.058 2.140 -2.719 1.00 0.00 C ATOM 205 O SER A 14 -14.761 2.179 -3.711 1.00 0.00 O ATOM 206 CB SER A 14 -14.292 3.464 -0.595 1.00 0.00 C ATOM 207 OG SER A 14 -14.141 2.195 0.028 1.00 0.00 O ATOM 0 H SER A 14 -14.964 4.423 -3.347 1.00 0.00 H new ATOM 0 HA SER A 14 -12.569 3.434 -1.937 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.819 4.238 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.349 3.721 -0.672 1.00 0.00 H new ATOM 0 HG SER A 14 -14.545 2.219 0.920 1.00 0.00 H new ATOM 213 N SER A 15 -13.615 1.008 -2.236 1.00 0.00 N ATOM 214 CA SER A 15 -13.965 -0.284 -2.900 1.00 0.00 C ATOM 215 C SER A 15 -15.400 -0.687 -2.546 1.00 0.00 C ATOM 216 O SER A 15 -16.072 -1.352 -3.312 1.00 0.00 O ATOM 217 CB SER A 15 -12.972 -1.303 -2.343 1.00 0.00 C ATOM 218 OG SER A 15 -13.058 -1.316 -0.925 1.00 0.00 O ATOM 0 H SER A 15 -13.025 0.922 -1.409 1.00 0.00 H new ATOM 0 HA SER A 15 -13.910 -0.216 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.189 -2.294 -2.741 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.959 -1.049 -2.655 1.00 0.00 H new ATOM 0 HG SER A 15 -12.423 -1.970 -0.565 1.00 0.00 H new ATOM 224 N TYR A 16 -15.869 -0.287 -1.392 1.00 0.00 N ATOM 225 CA TYR A 16 -17.262 -0.643 -0.980 1.00 0.00 C ATOM 226 C TYR A 16 -18.275 0.055 -1.891 1.00 0.00 C ATOM 227 O TYR A 16 -19.358 -0.448 -2.128 1.00 0.00 O ATOM 228 CB TYR A 16 -17.400 -0.140 0.459 1.00 0.00 C ATOM 229 CG TYR A 16 -18.473 -0.929 1.169 1.00 0.00 C ATOM 230 CD1 TYR A 16 -19.821 -0.705 0.869 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.118 -1.886 2.128 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.816 -1.437 1.529 1.00 0.00 C ATOM 233 CE2 TYR A 16 -19.113 -2.618 2.788 1.00 0.00 C ATOM 234 CZ TYR A 16 -20.462 -2.394 2.488 1.00 0.00 C ATOM 235 OH TYR A 16 -21.443 -3.115 3.137 1.00 0.00 O ATOM 0 H TYR A 16 -15.348 0.271 -0.716 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.450 -1.714 -1.053 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.450 -0.244 0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.652 0.921 0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.094 0.032 0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.077 -2.059 2.358 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -21.857 -1.263 1.298 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -18.840 -3.355 3.528 1.00 0.00 H new ATOM 0 HH TYR A 16 -21.027 -3.737 3.770 1.00 0.00 H new ATOM 245 N ALA A 17 -17.928 1.208 -2.403 1.00 0.00 N ATOM 246 CA ALA A 17 -18.865 1.947 -3.303 1.00 0.00 C ATOM 247 C ALA A 17 -18.848 1.325 -4.702 1.00 0.00 C ATOM 248 O ALA A 17 -19.868 1.223 -5.357 1.00 0.00 O ATOM 249 CB ALA A 17 -18.332 3.380 -3.347 1.00 0.00 C ATOM 0 H ALA A 17 -17.034 1.671 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.895 1.909 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.970 3.986 -3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.330 3.798 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.316 3.378 -3.741 1.00 0.00 H new ATOM 255 N PHE A 18 -17.695 0.908 -5.159 1.00 0.00 N ATOM 256 CA PHE A 18 -17.601 0.285 -6.516 1.00 0.00 C ATOM 257 C PHE A 18 -18.330 -1.061 -6.529 1.00 0.00 C ATOM 258 O PHE A 18 -18.829 -1.495 -7.551 1.00 0.00 O ATOM 259 CB PHE A 18 -16.105 0.089 -6.768 1.00 0.00 C ATOM 260 CG PHE A 18 -15.549 1.302 -7.473 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.388 2.505 -6.774 1.00 0.00 C ATOM 262 CD2 PHE A 18 -15.193 1.225 -8.824 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.873 3.630 -7.428 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.678 2.351 -9.478 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.518 3.554 -8.780 1.00 0.00 C ATOM 0 H PHE A 18 -16.813 0.972 -4.651 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.061 0.905 -7.285 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.584 -0.066 -5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.941 -0.803 -7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -15.661 2.564 -5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.315 0.297 -9.363 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.749 4.558 -6.889 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.404 2.291 -10.521 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.121 4.423 -9.284 1.00 0.00 H new ATOM 275 N PHE A 19 -18.395 -1.722 -5.400 1.00 0.00 N ATOM 276 CA PHE A 19 -19.095 -3.044 -5.338 1.00 0.00 C ATOM 277 C PHE A 19 -20.569 -2.876 -5.717 1.00 0.00 C ATOM 278 O PHE A 19 -21.073 -3.552 -6.594 1.00 0.00 O ATOM 279 CB PHE A 19 -18.963 -3.502 -3.884 1.00 0.00 C ATOM 280 CG PHE A 19 -19.295 -4.971 -3.787 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.418 -5.925 -4.316 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.481 -5.379 -3.166 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.728 -7.287 -4.225 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.791 -6.741 -3.075 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.914 -7.695 -3.604 1.00 0.00 C ATOM 0 H PHE A 19 -17.994 -1.404 -4.518 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.667 -3.769 -6.030 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.949 -3.323 -3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.633 -2.924 -3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.502 -5.610 -4.794 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.157 -4.643 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.052 -8.023 -4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.707 -7.056 -2.597 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.153 -8.746 -3.533 1.00 0.00 H new ATOM 295 N VAL A 20 -21.258 -1.975 -5.064 1.00 0.00 N ATOM 296 CA VAL A 20 -22.702 -1.751 -5.385 1.00 0.00 C ATOM 297 C VAL A 20 -22.832 -1.120 -6.776 1.00 0.00 C ATOM 298 O VAL A 20 -23.813 -1.323 -7.468 1.00 0.00 O ATOM 299 CB VAL A 20 -23.213 -0.796 -4.300 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.687 -0.458 -4.549 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.072 -1.464 -2.930 1.00 0.00 C ATOM 0 H VAL A 20 -20.884 -1.384 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.275 -2.678 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.626 0.122 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.041 0.221 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.791 0.019 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.279 -1.373 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.435 -0.787 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.657 -2.383 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -22.023 -1.698 -2.745 1.00 0.00 H new ATOM 311 N GLN A 21 -21.848 -0.361 -7.188 1.00 0.00 N ATOM 312 CA GLN A 21 -21.906 0.284 -8.535 1.00 0.00 C ATOM 313 C GLN A 21 -21.700 -0.769 -9.628 1.00 0.00 C ATOM 314 O GLN A 21 -22.287 -0.695 -10.691 1.00 0.00 O ATOM 315 CB GLN A 21 -20.762 1.300 -8.546 1.00 0.00 C ATOM 316 CG GLN A 21 -20.896 2.209 -9.770 1.00 0.00 C ATOM 317 CD GLN A 21 -20.056 1.648 -10.919 1.00 0.00 C ATOM 318 OE1 GLN A 21 -20.636 0.939 -11.848 1.00 0.00 O flip ATOM 319 NE2 GLN A 21 -18.860 1.858 -10.971 1.00 0.00 N flip ATOM 0 H GLN A 21 -21.006 -0.160 -6.649 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.868 0.760 -8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.782 1.896 -7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.803 0.783 -8.568 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.941 2.279 -10.071 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.566 3.218 -9.524 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.407 2.412 -10.244 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.309 1.480 -11.741 1.00 0.00 H new ATOM 328 N THR A 22 -20.870 -1.748 -9.369 1.00 0.00 N ATOM 329 CA THR A 22 -20.621 -2.814 -10.384 1.00 0.00 C ATOM 330 C THR A 22 -21.688 -3.906 -10.272 1.00 0.00 C ATOM 331 O THR A 22 -22.065 -4.519 -11.252 1.00 0.00 O ATOM 332 CB THR A 22 -19.240 -3.374 -10.039 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.312 -2.306 -9.924 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.785 -4.331 -11.142 1.00 0.00 C ATOM 0 H THR A 22 -20.353 -1.854 -8.496 1.00 0.00 H new ATOM 0 HA THR A 22 -20.662 -2.433 -11.404 1.00 0.00 H new ATOM 0 HB THR A 22 -19.293 -3.913 -9.093 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.239 -2.036 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.801 -4.729 -10.895 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.497 -5.152 -11.228 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.732 -3.795 -12.090 1.00 0.00 H new ATOM 342 N SER A 23 -22.176 -4.148 -9.082 1.00 0.00 N ATOM 343 CA SER A 23 -23.223 -5.198 -8.896 1.00 0.00 C ATOM 344 C SER A 23 -24.573 -4.688 -9.409 1.00 0.00 C ATOM 345 O SER A 23 -25.398 -5.451 -9.874 1.00 0.00 O ATOM 346 CB SER A 23 -23.282 -5.445 -7.388 1.00 0.00 C ATOM 347 OG SER A 23 -22.040 -5.980 -6.952 1.00 0.00 O ATOM 0 H SER A 23 -21.894 -3.663 -8.230 1.00 0.00 H new ATOM 0 HA SER A 23 -22.994 -6.111 -9.446 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.494 -4.514 -6.863 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.092 -6.136 -7.152 1.00 0.00 H new ATOM 0 HG SER A 23 -21.363 -5.272 -6.947 1.00 0.00 H new ATOM 353 N ARG A 24 -24.797 -3.400 -9.329 1.00 0.00 N ATOM 354 CA ARG A 24 -26.089 -2.828 -9.814 1.00 0.00 C ATOM 355 C ARG A 24 -26.111 -2.809 -11.345 1.00 0.00 C ATOM 356 O ARG A 24 -27.137 -3.019 -11.964 1.00 0.00 O ATOM 357 CB ARG A 24 -26.131 -1.402 -9.260 1.00 0.00 C ATOM 358 CG ARG A 24 -27.513 -0.793 -9.511 1.00 0.00 C ATOM 359 CD ARG A 24 -27.563 -0.185 -10.918 1.00 0.00 C ATOM 360 NE ARG A 24 -28.149 1.173 -10.731 1.00 0.00 N ATOM 361 CZ ARG A 24 -27.380 2.227 -10.772 1.00 0.00 C ATOM 362 NH1 ARG A 24 -26.805 2.657 -9.683 1.00 0.00 N ATOM 363 NH2 ARG A 24 -27.187 2.850 -11.902 1.00 0.00 N ATOM 0 H ARG A 24 -24.139 -2.720 -8.948 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.948 -3.414 -9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.915 -1.410 -8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.362 -0.793 -9.736 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.282 -1.558 -9.408 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.724 -0.026 -8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.568 -0.128 -11.359 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.174 -0.790 -11.588 1.00 0.00 H new ATOM 0 HE ARG A 24 -29.151 1.279 -10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -26.956 2.170 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -26.204 3.481 -9.715 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -27.637 2.513 -12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -26.586 3.674 -11.934 1.00 0.00 H new ATOM 377 N GLU A 25 -24.981 -2.561 -11.956 1.00 0.00 N ATOM 378 CA GLU A 25 -24.920 -2.527 -13.450 1.00 0.00 C ATOM 379 C GLU A 25 -25.200 -3.921 -14.022 1.00 0.00 C ATOM 380 O GLU A 25 -25.676 -4.058 -15.133 1.00 0.00 O ATOM 381 CB GLU A 25 -23.494 -2.086 -13.788 1.00 0.00 C ATOM 382 CG GLU A 25 -23.402 -0.560 -13.717 1.00 0.00 C ATOM 383 CD GLU A 25 -21.997 -0.115 -14.124 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.052 -0.791 -13.754 1.00 0.00 O ATOM 385 OE2 GLU A 25 -21.890 0.896 -14.799 1.00 0.00 O ATOM 0 H GLU A 25 -24.095 -2.380 -11.484 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.663 -1.852 -13.875 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.788 -2.536 -13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.222 -2.431 -14.785 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.143 -0.109 -14.377 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.625 -0.218 -12.706 1.00 0.00 H new ATOM 392 N GLU A 26 -24.906 -4.953 -13.271 1.00 0.00 N ATOM 393 CA GLU A 26 -25.152 -6.341 -13.766 1.00 0.00 C ATOM 394 C GLU A 26 -26.510 -6.855 -13.272 1.00 0.00 C ATOM 395 O GLU A 26 -26.730 -8.047 -13.173 1.00 0.00 O ATOM 396 CB GLU A 26 -24.017 -7.178 -13.175 1.00 0.00 C ATOM 397 CG GLU A 26 -24.085 -8.600 -13.736 1.00 0.00 C ATOM 398 CD GLU A 26 -22.702 -9.249 -13.651 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.234 -9.456 -12.545 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.135 -9.527 -14.695 1.00 0.00 O ATOM 0 H GLU A 26 -24.506 -4.893 -12.335 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.175 -6.390 -14.855 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.055 -6.726 -13.416 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.096 -7.200 -12.088 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.810 -9.189 -13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.425 -8.578 -14.771 1.00 0.00 H new ATOM 407 N HIS A 27 -27.421 -5.964 -12.964 1.00 0.00 N ATOM 408 CA HIS A 27 -28.766 -6.394 -12.479 1.00 0.00 C ATOM 409 C HIS A 27 -29.808 -6.211 -13.586 1.00 0.00 C ATOM 410 O HIS A 27 -30.639 -7.067 -13.818 1.00 0.00 O ATOM 411 CB HIS A 27 -29.072 -5.475 -11.296 1.00 0.00 C ATOM 412 CG HIS A 27 -30.197 -6.055 -10.484 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.551 -5.829 -10.500 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -29.984 -7.006 -9.499 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -32.170 -6.625 -9.541 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.180 -7.314 -8.967 1.00 0.00 N flip ATOM 0 H HIS A 27 -27.289 -4.955 -13.029 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.787 -7.446 -12.193 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.184 -5.358 -10.674 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -29.343 -4.482 -11.655 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.031 -7.424 -9.211 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -33.224 -6.675 -9.310 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.315 -7.991 -8.216 1.00 0.00 H new ATOM 424 N LYS A 28 -29.762 -5.096 -14.272 1.00 0.00 N ATOM 425 CA LYS A 28 -30.746 -4.840 -15.371 1.00 0.00 C ATOM 426 C LYS A 28 -30.659 -5.939 -16.438 1.00 0.00 C ATOM 427 O LYS A 28 -31.613 -6.197 -17.150 1.00 0.00 O ATOM 428 CB LYS A 28 -30.343 -3.489 -15.965 1.00 0.00 C ATOM 429 CG LYS A 28 -31.476 -2.958 -16.845 1.00 0.00 C ATOM 430 CD LYS A 28 -31.027 -1.668 -17.534 1.00 0.00 C ATOM 431 CE LYS A 28 -30.043 -2.004 -18.658 1.00 0.00 C ATOM 432 NZ LYS A 28 -29.995 -0.780 -19.504 1.00 0.00 N ATOM 0 H LYS A 28 -29.084 -4.350 -14.118 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.772 -4.836 -15.004 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -30.126 -2.779 -15.167 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -29.432 -3.596 -16.553 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.751 -3.704 -17.591 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -32.363 -2.770 -16.240 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -31.890 -1.140 -17.938 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -30.556 -1.002 -16.811 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -29.058 -2.248 -18.261 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -30.379 -2.868 -19.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -29.340 -0.932 -20.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -30.945 -0.576 -19.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -29.666 0.024 -18.933 1.00 0.00 H new ATOM 446 N LYS A 29 -29.525 -6.585 -16.553 1.00 0.00 N ATOM 447 CA LYS A 29 -29.373 -7.670 -17.575 1.00 0.00 C ATOM 448 C LYS A 29 -30.404 -8.779 -17.336 1.00 0.00 C ATOM 449 O LYS A 29 -30.799 -9.476 -18.251 1.00 0.00 O ATOM 450 CB LYS A 29 -27.954 -8.211 -17.382 1.00 0.00 C ATOM 451 CG LYS A 29 -26.955 -7.288 -18.081 1.00 0.00 C ATOM 452 CD LYS A 29 -25.537 -7.832 -17.891 1.00 0.00 C ATOM 453 CE LYS A 29 -25.360 -9.099 -18.732 1.00 0.00 C ATOM 454 NZ LYS A 29 -23.904 -9.404 -18.663 1.00 0.00 N ATOM 0 H LYS A 29 -28.697 -6.409 -15.984 1.00 0.00 H new ATOM 0 HA LYS A 29 -29.534 -7.300 -18.587 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -27.721 -8.278 -16.319 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -27.880 -9.219 -17.789 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.190 -7.218 -19.143 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.027 -6.280 -17.672 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -24.805 -7.081 -18.187 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -25.359 -8.053 -16.839 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.955 -9.922 -18.337 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.682 -8.938 -19.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.702 -10.261 -19.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.363 -8.605 -19.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.628 -9.559 -17.672 1.00 0.00 H new ATOM 468 N LYS A 30 -30.838 -8.944 -16.112 1.00 0.00 N ATOM 469 CA LYS A 30 -31.844 -10.007 -15.805 1.00 0.00 C ATOM 470 C LYS A 30 -32.905 -9.483 -14.831 1.00 0.00 C ATOM 471 O LYS A 30 -33.546 -10.247 -14.135 1.00 0.00 O ATOM 472 CB LYS A 30 -31.042 -11.150 -15.168 1.00 0.00 C ATOM 473 CG LYS A 30 -30.287 -10.646 -13.928 1.00 0.00 C ATOM 474 CD LYS A 30 -28.786 -10.906 -14.086 1.00 0.00 C ATOM 475 CE LYS A 30 -28.506 -12.401 -13.919 1.00 0.00 C ATOM 476 NZ LYS A 30 -27.073 -12.567 -14.288 1.00 0.00 N ATOM 0 H LYS A 30 -30.539 -8.388 -15.311 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.376 -10.333 -16.699 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.713 -11.962 -14.888 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.336 -11.555 -15.892 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.467 -9.580 -13.791 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.660 -11.149 -13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.449 -10.570 -15.067 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.227 -10.336 -13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.690 -12.725 -12.895 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -29.151 -12.998 -14.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.805 -13.568 -14.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.929 -12.257 -15.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.482 -11.992 -13.653 1.00 0.00 H new ATOM 490 N HIS A 31 -33.100 -8.187 -14.783 1.00 0.00 N ATOM 491 CA HIS A 31 -34.125 -7.611 -13.859 1.00 0.00 C ATOM 492 C HIS A 31 -34.768 -6.365 -14.497 1.00 0.00 C ATOM 493 O HIS A 31 -34.559 -5.261 -14.035 1.00 0.00 O ATOM 494 CB HIS A 31 -33.356 -7.232 -12.589 1.00 0.00 C ATOM 495 CG HIS A 31 -32.743 -8.467 -11.985 1.00 0.00 C ATOM 496 ND1 HIS A 31 -31.447 -8.783 -11.663 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -33.499 -9.576 -11.646 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -31.396 -10.069 -11.134 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -32.660 -10.501 -11.147 1.00 0.00 N flip ATOM 0 H HIS A 31 -32.593 -7.503 -15.345 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.931 -8.313 -13.646 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.578 -6.506 -12.825 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.027 -6.759 -11.872 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -34.568 -9.679 -11.761 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -30.523 -10.603 -10.788 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -32.953 -11.421 -10.818 1.00 0.00 H new ATOM 507 N PRO A 32 -35.534 -6.576 -15.547 1.00 0.00 N ATOM 508 CA PRO A 32 -36.196 -5.438 -16.233 1.00 0.00 C ATOM 509 C PRO A 32 -37.347 -4.897 -15.380 1.00 0.00 C ATOM 510 O PRO A 32 -37.502 -3.701 -15.220 1.00 0.00 O ATOM 511 CB PRO A 32 -36.722 -6.051 -17.527 1.00 0.00 C ATOM 512 CG PRO A 32 -36.884 -7.507 -17.230 1.00 0.00 C ATOM 513 CD PRO A 32 -35.855 -7.864 -16.189 1.00 0.00 C ATOM 0 HA PRO A 32 -35.525 -4.597 -16.409 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.670 -5.600 -17.820 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -36.026 -5.892 -18.350 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.890 -7.716 -16.865 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.742 -8.102 -18.132 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.248 -8.582 -15.469 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.972 -8.316 -16.640 1.00 0.00 H new ATOM 521 N ASP A 33 -38.154 -5.773 -14.836 1.00 0.00 N ATOM 522 CA ASP A 33 -39.300 -5.319 -13.992 1.00 0.00 C ATOM 523 C ASP A 33 -39.019 -5.614 -12.514 1.00 0.00 C ATOM 524 O ASP A 33 -39.694 -6.412 -11.891 1.00 0.00 O ATOM 525 CB ASP A 33 -40.498 -6.131 -14.487 1.00 0.00 C ATOM 526 CG ASP A 33 -40.945 -5.603 -15.852 1.00 0.00 C ATOM 527 OD1 ASP A 33 -40.348 -5.994 -16.841 1.00 0.00 O ATOM 528 OD2 ASP A 33 -41.877 -4.815 -15.883 1.00 0.00 O ATOM 0 H ASP A 33 -38.068 -6.784 -14.940 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.475 -4.246 -14.071 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.230 -7.185 -14.563 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -41.318 -6.062 -13.772 1.00 0.00 H new ATOM 533 N SER A 34 -38.026 -4.971 -11.954 1.00 0.00 N ATOM 534 CA SER A 34 -37.691 -5.205 -10.517 1.00 0.00 C ATOM 535 C SER A 34 -37.124 -3.929 -9.891 1.00 0.00 C ATOM 536 O SER A 34 -36.230 -3.305 -10.434 1.00 0.00 O ATOM 537 CB SER A 34 -36.637 -6.309 -10.531 1.00 0.00 C ATOM 538 OG SER A 34 -37.217 -7.507 -11.033 1.00 0.00 O ATOM 0 H SER A 34 -37.432 -4.293 -12.431 1.00 0.00 H new ATOM 0 HA SER A 34 -38.566 -5.484 -9.930 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.792 -6.013 -11.152 1.00 0.00 H new ATOM 0 HB3 SER A 34 -36.251 -6.472 -9.525 1.00 0.00 H new ATOM 0 HG SER A 34 -36.542 -8.217 -11.045 1.00 0.00 H new ATOM 544 N SER A 35 -37.637 -3.538 -8.752 1.00 0.00 N ATOM 545 CA SER A 35 -37.136 -2.305 -8.081 1.00 0.00 C ATOM 546 C SER A 35 -35.973 -2.650 -7.147 1.00 0.00 C ATOM 547 O SER A 35 -36.170 -3.161 -6.060 1.00 0.00 O ATOM 548 CB SER A 35 -38.327 -1.777 -7.282 1.00 0.00 C ATOM 549 OG SER A 35 -38.741 -2.765 -6.348 1.00 0.00 O ATOM 0 H SER A 35 -38.385 -4.024 -8.257 1.00 0.00 H new ATOM 0 HA SER A 35 -36.765 -1.568 -8.793 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.052 -0.860 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 35 -39.149 -1.528 -7.954 1.00 0.00 H new ATOM 0 HG SER A 35 -37.955 -3.137 -5.896 1.00 0.00 H new ATOM 555 N VAL A 36 -34.764 -2.377 -7.567 1.00 0.00 N ATOM 556 CA VAL A 36 -33.581 -2.689 -6.712 1.00 0.00 C ATOM 557 C VAL A 36 -32.998 -1.399 -6.116 1.00 0.00 C ATOM 558 O VAL A 36 -31.960 -0.924 -6.536 1.00 0.00 O ATOM 559 CB VAL A 36 -32.580 -3.370 -7.656 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.204 -2.425 -8.807 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.323 -3.758 -6.870 1.00 0.00 C ATOM 0 H VAL A 36 -34.546 -1.950 -8.467 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.834 -3.329 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 36 -33.039 -4.265 -8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.494 -2.921 -9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.100 -2.162 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.751 -1.520 -8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.611 -4.242 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.870 -2.863 -6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.593 -4.445 -6.068 1.00 0.00 H new ATOM 571 N ASN A 37 -33.659 -0.839 -5.132 1.00 0.00 N ATOM 572 CA ASN A 37 -33.146 0.417 -4.496 1.00 0.00 C ATOM 573 C ASN A 37 -31.745 0.178 -3.924 1.00 0.00 C ATOM 574 O ASN A 37 -31.182 -0.889 -4.086 1.00 0.00 O ATOM 575 CB ASN A 37 -34.136 0.735 -3.373 1.00 0.00 C ATOM 576 CG ASN A 37 -34.136 2.239 -3.098 1.00 0.00 C ATOM 577 OD1 ASN A 37 -34.231 3.034 -4.012 1.00 0.00 O ATOM 578 ND2 ASN A 37 -34.032 2.667 -1.871 1.00 0.00 N ATOM 0 H ASN A 37 -34.531 -1.196 -4.741 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.068 1.238 -5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -35.137 0.407 -3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -33.863 0.190 -2.469 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -34.030 3.669 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -33.952 2.000 -1.103 1.00 0.00 H new ATOM 585 N PHE A 38 -31.179 1.155 -3.261 1.00 0.00 N ATOM 586 CA PHE A 38 -29.813 0.968 -2.687 1.00 0.00 C ATOM 587 C PHE A 38 -29.873 0.042 -1.476 1.00 0.00 C ATOM 588 O PHE A 38 -29.066 -0.844 -1.342 1.00 0.00 O ATOM 589 CB PHE A 38 -29.333 2.355 -2.263 1.00 0.00 C ATOM 590 CG PHE A 38 -29.291 3.265 -3.468 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.229 3.167 -4.375 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.309 4.201 -3.679 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.185 4.005 -5.495 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.265 5.040 -4.799 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.202 4.942 -5.707 1.00 0.00 C ATOM 0 H PHE A 38 -31.601 2.068 -3.093 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.137 0.517 -3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.001 2.767 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.343 2.286 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.443 2.444 -4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.128 4.276 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.366 3.928 -6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.050 5.763 -4.963 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.168 5.590 -6.570 1.00 0.00 H new ATOM 605 N ALA A 39 -30.816 0.241 -0.592 1.00 0.00 N ATOM 606 CA ALA A 39 -30.904 -0.640 0.614 1.00 0.00 C ATOM 607 C ALA A 39 -31.378 -2.035 0.225 1.00 0.00 C ATOM 608 O ALA A 39 -30.868 -3.024 0.717 1.00 0.00 O ATOM 609 CB ALA A 39 -31.910 0.038 1.545 1.00 0.00 C ATOM 0 H ALA A 39 -31.526 0.971 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.934 -0.764 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.024 -0.556 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.551 1.034 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.873 0.120 1.042 1.00 0.00 H new ATOM 615 N GLU A 40 -32.332 -2.128 -0.661 1.00 0.00 N ATOM 616 CA GLU A 40 -32.818 -3.473 -1.087 1.00 0.00 C ATOM 617 C GLU A 40 -31.683 -4.251 -1.769 1.00 0.00 C ATOM 618 O GLU A 40 -31.760 -5.456 -1.924 1.00 0.00 O ATOM 619 CB GLU A 40 -33.955 -3.201 -2.073 1.00 0.00 C ATOM 620 CG GLU A 40 -35.160 -2.634 -1.318 1.00 0.00 C ATOM 621 CD GLU A 40 -35.951 -3.779 -0.683 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.579 -4.520 -1.420 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.914 -3.895 0.532 1.00 0.00 O ATOM 0 H GLU A 40 -32.794 -1.336 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.156 -4.075 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.627 -2.497 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.234 -4.121 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.826 -1.939 -0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.798 -2.072 -2.000 1.00 0.00 H new ATOM 630 N PHE A 41 -30.632 -3.574 -2.180 1.00 0.00 N ATOM 631 CA PHE A 41 -29.504 -4.280 -2.851 1.00 0.00 C ATOM 632 C PHE A 41 -28.238 -4.224 -1.990 1.00 0.00 C ATOM 633 O PHE A 41 -27.562 -5.218 -1.800 1.00 0.00 O ATOM 634 CB PHE A 41 -29.302 -3.528 -4.167 1.00 0.00 C ATOM 635 CG PHE A 41 -28.401 -4.327 -5.076 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.783 -5.610 -5.489 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.185 -3.785 -5.510 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.948 -6.349 -6.336 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.352 -4.524 -6.356 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.733 -5.807 -6.769 1.00 0.00 C ATOM 0 H PHE A 41 -30.513 -2.566 -2.077 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.717 -5.337 -3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.264 -3.357 -4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.864 -2.549 -3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.721 -6.029 -5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.890 -2.796 -5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.242 -7.338 -6.655 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.415 -4.105 -6.691 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.089 -6.378 -7.422 1.00 0.00 H new ATOM 650 N SER A 42 -27.919 -3.072 -1.466 1.00 0.00 N ATOM 651 CA SER A 42 -26.701 -2.931 -0.603 1.00 0.00 C ATOM 652 C SER A 42 -26.765 -3.919 0.569 1.00 0.00 C ATOM 653 O SER A 42 -25.752 -4.299 1.126 1.00 0.00 O ATOM 654 CB SER A 42 -26.738 -1.486 -0.097 1.00 0.00 C ATOM 655 OG SER A 42 -27.813 -1.337 0.819 1.00 0.00 O ATOM 0 H SER A 42 -28.452 -2.212 -1.597 1.00 0.00 H new ATOM 0 HA SER A 42 -25.781 -3.146 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.795 -1.234 0.387 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.860 -0.798 -0.934 1.00 0.00 H new ATOM 0 HG SER A 42 -27.899 -0.394 1.072 1.00 0.00 H new ATOM 661 N LYS A 43 -27.950 -4.343 0.936 1.00 0.00 N ATOM 662 CA LYS A 43 -28.090 -5.316 2.059 1.00 0.00 C ATOM 663 C LYS A 43 -27.610 -6.696 1.606 1.00 0.00 C ATOM 664 O LYS A 43 -27.041 -7.450 2.373 1.00 0.00 O ATOM 665 CB LYS A 43 -29.587 -5.347 2.379 1.00 0.00 C ATOM 666 CG LYS A 43 -29.867 -4.491 3.617 1.00 0.00 C ATOM 667 CD LYS A 43 -29.203 -5.128 4.839 1.00 0.00 C ATOM 668 CE LYS A 43 -30.049 -4.851 6.083 1.00 0.00 C ATOM 669 NZ LYS A 43 -29.469 -3.613 6.674 1.00 0.00 N ATOM 0 H LYS A 43 -28.828 -4.055 0.503 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.498 -5.035 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.158 -4.973 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.910 -6.373 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.485 -3.481 3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -30.942 -4.405 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -29.098 -6.203 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -28.199 -4.725 4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -31.098 -4.711 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.003 -5.683 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -29.997 -3.358 7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -28.471 -3.779 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -29.533 -2.836 5.985 1.00 0.00 H new ATOM 683 N LYS A 44 -27.836 -7.026 0.359 1.00 0.00 N ATOM 684 CA LYS A 44 -27.397 -8.353 -0.164 1.00 0.00 C ATOM 685 C LYS A 44 -25.920 -8.298 -0.562 1.00 0.00 C ATOM 686 O LYS A 44 -25.164 -9.214 -0.298 1.00 0.00 O ATOM 687 CB LYS A 44 -28.274 -8.607 -1.391 1.00 0.00 C ATOM 688 CG LYS A 44 -28.625 -10.094 -1.469 1.00 0.00 C ATOM 689 CD LYS A 44 -27.560 -10.828 -2.286 1.00 0.00 C ATOM 690 CE LYS A 44 -28.080 -12.213 -2.678 1.00 0.00 C ATOM 691 NZ LYS A 44 -27.201 -12.651 -3.797 1.00 0.00 N ATOM 0 H LYS A 44 -28.308 -6.430 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.499 -9.145 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.184 -8.010 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.750 -8.298 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.685 -10.517 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.605 -10.224 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.313 -10.255 -3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.643 -10.924 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -28.027 -12.907 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -29.124 -12.169 -2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -27.495 -13.594 -4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -27.278 -11.975 -4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -26.215 -12.690 -3.469 1.00 0.00 H new ATOM 705 N CYS A 45 -25.505 -7.228 -1.195 1.00 0.00 N ATOM 706 CA CYS A 45 -24.073 -7.108 -1.612 1.00 0.00 C ATOM 707 C CYS A 45 -23.166 -7.131 -0.379 1.00 0.00 C ATOM 708 O CYS A 45 -22.034 -7.575 -0.439 1.00 0.00 O ATOM 709 CB CYS A 45 -23.970 -5.761 -2.334 1.00 0.00 C ATOM 710 SG CYS A 45 -24.662 -5.915 -3.999 1.00 0.00 S ATOM 0 H CYS A 45 -26.095 -6.433 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.761 -7.931 -2.255 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.507 -4.995 -1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.928 -5.445 -2.389 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.430 -4.895 -4.246 1.00 0.00 H new ATOM 716 N SER A 46 -23.659 -6.662 0.740 1.00 0.00 N ATOM 717 CA SER A 46 -22.832 -6.661 1.987 1.00 0.00 C ATOM 718 C SER A 46 -22.592 -8.099 2.451 1.00 0.00 C ATOM 719 O SER A 46 -21.556 -8.416 3.005 1.00 0.00 O ATOM 720 CB SER A 46 -23.657 -5.895 3.020 1.00 0.00 C ATOM 721 OG SER A 46 -24.810 -6.655 3.359 1.00 0.00 O ATOM 0 H SER A 46 -24.599 -6.279 0.844 1.00 0.00 H new ATOM 0 HA SER A 46 -21.855 -6.202 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.059 -5.704 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.952 -4.925 2.620 1.00 0.00 H new ATOM 0 HG SER A 46 -25.333 -6.834 2.550 1.00 0.00 H new ATOM 727 N GLU A 47 -23.542 -8.970 2.222 1.00 0.00 N ATOM 728 CA GLU A 47 -23.375 -10.395 2.642 1.00 0.00 C ATOM 729 C GLU A 47 -22.274 -11.056 1.811 1.00 0.00 C ATOM 730 O GLU A 47 -21.564 -11.924 2.282 1.00 0.00 O ATOM 731 CB GLU A 47 -24.727 -11.059 2.367 1.00 0.00 C ATOM 732 CG GLU A 47 -25.812 -10.378 3.205 1.00 0.00 C ATOM 733 CD GLU A 47 -26.905 -11.392 3.545 1.00 0.00 C ATOM 734 OE1 GLU A 47 -27.575 -11.841 2.631 1.00 0.00 O ATOM 735 OE2 GLU A 47 -27.054 -11.701 4.717 1.00 0.00 O ATOM 0 H GLU A 47 -24.427 -8.756 1.762 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.088 -10.486 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -24.971 -10.985 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.678 -12.121 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.379 -9.973 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.238 -9.539 2.655 1.00 0.00 H new ATOM 742 N ARG A 48 -22.127 -10.645 0.577 1.00 0.00 N ATOM 743 CA ARG A 48 -21.071 -11.236 -0.299 1.00 0.00 C ATOM 744 C ARG A 48 -19.754 -10.478 -0.106 1.00 0.00 C ATOM 745 O ARG A 48 -18.696 -11.070 -0.005 1.00 0.00 O ATOM 746 CB ARG A 48 -21.594 -11.064 -1.732 1.00 0.00 C ATOM 747 CG ARG A 48 -21.580 -12.415 -2.454 1.00 0.00 C ATOM 748 CD ARG A 48 -20.137 -12.799 -2.792 1.00 0.00 C ATOM 749 NE ARG A 48 -20.241 -14.123 -3.466 1.00 0.00 N ATOM 750 CZ ARG A 48 -20.528 -14.186 -4.738 1.00 0.00 C ATOM 751 NH1 ARG A 48 -19.591 -14.004 -5.627 1.00 0.00 N ATOM 752 NH2 ARG A 48 -21.751 -14.432 -5.120 1.00 0.00 N ATOM 0 H ARG A 48 -22.696 -9.922 0.137 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.875 -12.283 -0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.607 -10.661 -1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.975 -10.346 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -22.033 -13.181 -1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -22.175 -12.358 -3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.674 -12.059 -3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -19.524 -12.860 -1.893 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.088 -14.980 -2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.635 -13.813 -5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -19.815 -14.053 -6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -22.483 -14.575 -4.425 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.975 -14.481 -6.114 1.00 0.00 H new ATOM 766 N TRP A 49 -19.818 -9.172 -0.049 1.00 0.00 N ATOM 767 CA TRP A 49 -18.574 -8.362 0.144 1.00 0.00 C ATOM 768 C TRP A 49 -17.924 -8.718 1.485 1.00 0.00 C ATOM 769 O TRP A 49 -16.715 -8.762 1.607 1.00 0.00 O ATOM 770 CB TRP A 49 -19.039 -6.901 0.138 1.00 0.00 C ATOM 771 CG TRP A 49 -17.858 -5.994 0.278 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.623 -5.183 1.335 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.750 -5.791 -0.646 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.443 -4.495 1.118 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.868 -4.835 -0.089 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.429 -6.337 -1.902 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.707 -4.437 -0.754 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.262 -5.938 -2.574 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.404 -4.989 -2.000 1.00 0.00 C ATOM 0 H TRP A 49 -20.678 -8.630 -0.128 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.832 -8.550 -0.632 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.570 -6.682 -0.789 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.740 -6.729 0.955 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.254 -5.088 2.206 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.046 -3.819 1.771 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.084 -7.068 -2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.048 -3.707 -0.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.024 -6.364 -3.537 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.509 -4.685 -2.522 1.00 0.00 H new ATOM 790 N LYS A 50 -18.725 -8.973 2.489 1.00 0.00 N ATOM 791 CA LYS A 50 -18.166 -9.330 3.828 1.00 0.00 C ATOM 792 C LYS A 50 -17.564 -10.738 3.790 1.00 0.00 C ATOM 793 O LYS A 50 -16.643 -11.049 4.522 1.00 0.00 O ATOM 794 CB LYS A 50 -19.356 -9.280 4.786 1.00 0.00 C ATOM 795 CG LYS A 50 -19.621 -7.829 5.191 1.00 0.00 C ATOM 796 CD LYS A 50 -18.561 -7.378 6.196 1.00 0.00 C ATOM 797 CE LYS A 50 -19.006 -6.071 6.857 1.00 0.00 C ATOM 798 NZ LYS A 50 -19.966 -6.485 7.918 1.00 0.00 N ATOM 0 H LYS A 50 -19.743 -8.949 2.439 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.370 -8.652 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.240 -9.703 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.151 -9.884 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.601 -7.185 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.615 -7.738 5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.412 -8.148 6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.605 -7.236 5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.157 -5.533 7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.478 -5.404 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.802 -5.867 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.259 -7.470 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -19.509 -6.408 8.849 1.00 0.00 H new ATOM 812 N THR A 51 -18.081 -11.589 2.940 1.00 0.00 N ATOM 813 CA THR A 51 -17.547 -12.981 2.843 1.00 0.00 C ATOM 814 C THR A 51 -16.485 -13.077 1.739 1.00 0.00 C ATOM 815 O THR A 51 -15.681 -13.990 1.727 1.00 0.00 O ATOM 816 CB THR A 51 -18.760 -13.845 2.496 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.444 -13.275 1.389 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.701 -13.915 3.699 1.00 0.00 C ATOM 0 H THR A 51 -18.853 -11.378 2.307 1.00 0.00 H new ATOM 0 HA THR A 51 -17.066 -13.300 3.768 1.00 0.00 H new ATOM 0 HB THR A 51 -18.428 -14.851 2.240 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.268 -12.845 1.700 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.565 -14.531 3.450 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.175 -14.353 4.547 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.035 -12.910 3.959 1.00 0.00 H new ATOM 826 N MET A 52 -16.476 -12.147 0.813 1.00 0.00 N ATOM 827 CA MET A 52 -15.465 -12.187 -0.294 1.00 0.00 C ATOM 828 C MET A 52 -14.042 -12.220 0.279 1.00 0.00 C ATOM 829 O MET A 52 -13.801 -11.776 1.386 1.00 0.00 O ATOM 830 CB MET A 52 -15.689 -10.899 -1.090 1.00 0.00 C ATOM 831 CG MET A 52 -16.830 -11.107 -2.090 1.00 0.00 C ATOM 832 SD MET A 52 -16.155 -11.610 -3.692 1.00 0.00 S ATOM 833 CE MET A 52 -15.961 -9.950 -4.387 1.00 0.00 C ATOM 0 H MET A 52 -17.125 -11.361 0.775 1.00 0.00 H new ATOM 0 HA MET A 52 -15.577 -13.076 -0.915 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.929 -10.078 -0.414 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.776 -10.621 -1.617 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.517 -11.868 -1.719 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.403 -10.186 -2.199 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.075 -9.993 -5.470 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.720 -9.289 -3.968 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.971 -9.566 -4.142 1.00 0.00 H new ATOM 843 N SER A 53 -13.105 -12.745 -0.470 1.00 0.00 N ATOM 844 CA SER A 53 -11.696 -12.815 0.023 1.00 0.00 C ATOM 845 C SER A 53 -10.844 -11.737 -0.650 1.00 0.00 C ATOM 846 O SER A 53 -11.330 -10.951 -1.441 1.00 0.00 O ATOM 847 CB SER A 53 -11.208 -14.207 -0.373 1.00 0.00 C ATOM 848 OG SER A 53 -11.312 -14.356 -1.783 1.00 0.00 O ATOM 0 H SER A 53 -13.256 -13.129 -1.403 1.00 0.00 H new ATOM 0 HA SER A 53 -11.627 -12.648 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.175 -14.347 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.802 -14.970 0.130 1.00 0.00 H new ATOM 0 HG SER A 53 -10.998 -15.248 -2.042 1.00 0.00 H new ATOM 854 N ALA A 54 -9.573 -11.696 -0.337 1.00 0.00 N ATOM 855 CA ALA A 54 -8.672 -10.673 -0.953 1.00 0.00 C ATOM 856 C ALA A 54 -8.450 -10.972 -2.440 1.00 0.00 C ATOM 857 O ALA A 54 -8.103 -10.093 -3.208 1.00 0.00 O ATOM 858 CB ALA A 54 -7.355 -10.781 -0.183 1.00 0.00 C ATOM 0 H ALA A 54 -9.119 -12.329 0.321 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.098 -9.671 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.641 -10.059 -0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.533 -10.574 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.951 -11.787 -0.292 1.00 0.00 H new ATOM 864 N LYS A 55 -8.647 -12.201 -2.853 1.00 0.00 N ATOM 865 CA LYS A 55 -8.448 -12.551 -4.294 1.00 0.00 C ATOM 866 C LYS A 55 -9.526 -11.878 -5.144 1.00 0.00 C ATOM 867 O LYS A 55 -9.306 -11.540 -6.292 1.00 0.00 O ATOM 868 CB LYS A 55 -8.581 -14.074 -4.364 1.00 0.00 C ATOM 869 CG LYS A 55 -7.336 -14.724 -3.759 1.00 0.00 C ATOM 870 CD LYS A 55 -7.606 -16.209 -3.509 1.00 0.00 C ATOM 871 CE LYS A 55 -6.519 -16.780 -2.596 1.00 0.00 C ATOM 872 NZ LYS A 55 -5.332 -16.958 -3.477 1.00 0.00 N ATOM 0 H LYS A 55 -8.936 -12.975 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.482 -12.216 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.471 -14.397 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.703 -14.392 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.487 -14.606 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.072 -14.229 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.586 -16.339 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.623 -16.751 -4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.300 -16.102 -1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.830 -17.728 -2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.097 -17.969 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.545 -16.589 -4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.523 -16.440 -3.078 1.00 0.00 H new ATOM 886 N GLU A 56 -10.690 -11.681 -4.582 1.00 0.00 N ATOM 887 CA GLU A 56 -11.796 -11.028 -5.339 1.00 0.00 C ATOM 888 C GLU A 56 -11.899 -9.554 -4.944 1.00 0.00 C ATOM 889 O GLU A 56 -12.053 -8.686 -5.783 1.00 0.00 O ATOM 890 CB GLU A 56 -13.054 -11.786 -4.921 1.00 0.00 C ATOM 891 CG GLU A 56 -13.136 -13.101 -5.698 1.00 0.00 C ATOM 892 CD GLU A 56 -14.558 -13.660 -5.606 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.384 -13.259 -6.409 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.794 -14.482 -4.736 1.00 0.00 O ATOM 0 H GLU A 56 -10.922 -11.947 -3.625 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.641 -11.058 -6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.033 -11.985 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.939 -11.180 -5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.865 -12.937 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.424 -13.820 -5.293 1.00 0.00 H new ATOM 901 N LYS A 57 -11.810 -9.270 -3.671 1.00 0.00 N ATOM 902 CA LYS A 57 -11.896 -7.851 -3.204 1.00 0.00 C ATOM 903 C LYS A 57 -10.737 -7.029 -3.782 1.00 0.00 C ATOM 904 O LYS A 57 -10.820 -5.819 -3.886 1.00 0.00 O ATOM 905 CB LYS A 57 -11.792 -7.921 -1.679 1.00 0.00 C ATOM 906 CG LYS A 57 -13.174 -8.192 -1.084 1.00 0.00 C ATOM 907 CD LYS A 57 -13.021 -8.848 0.290 1.00 0.00 C ATOM 908 CE LYS A 57 -12.619 -7.789 1.320 1.00 0.00 C ATOM 909 NZ LYS A 57 -12.015 -8.556 2.444 1.00 0.00 N ATOM 0 H LYS A 57 -11.681 -9.960 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.820 -7.371 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.098 -8.709 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.393 -6.985 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.731 -7.260 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.746 -8.842 -1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.958 -9.321 0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.267 -9.634 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.907 -7.079 0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.483 -7.214 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.714 -7.898 3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.718 -9.219 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.191 -9.088 2.098 1.00 0.00 H new ATOM 923 N SER A 58 -9.658 -7.675 -4.154 1.00 0.00 N ATOM 924 CA SER A 58 -8.491 -6.930 -4.722 1.00 0.00 C ATOM 925 C SER A 58 -8.903 -6.181 -5.992 1.00 0.00 C ATOM 926 O SER A 58 -8.357 -5.142 -6.313 1.00 0.00 O ATOM 927 CB SER A 58 -7.448 -8.000 -5.048 1.00 0.00 C ATOM 928 OG SER A 58 -8.075 -9.071 -5.741 1.00 0.00 O ATOM 0 H SER A 58 -9.535 -8.685 -4.089 1.00 0.00 H new ATOM 0 HA SER A 58 -8.105 -6.186 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.651 -7.574 -5.658 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.986 -8.366 -4.131 1.00 0.00 H new ATOM 0 HG SER A 58 -8.166 -9.840 -5.141 1.00 0.00 H new ATOM 934 N LYS A 59 -9.862 -6.702 -6.716 1.00 0.00 N ATOM 935 CA LYS A 59 -10.313 -6.023 -7.969 1.00 0.00 C ATOM 936 C LYS A 59 -10.985 -4.689 -7.636 1.00 0.00 C ATOM 937 O LYS A 59 -10.960 -3.759 -8.421 1.00 0.00 O ATOM 938 CB LYS A 59 -11.320 -6.982 -8.610 1.00 0.00 C ATOM 939 CG LYS A 59 -11.651 -6.503 -10.025 1.00 0.00 C ATOM 940 CD LYS A 59 -12.933 -7.183 -10.508 1.00 0.00 C ATOM 941 CE LYS A 59 -14.148 -6.388 -10.023 1.00 0.00 C ATOM 942 NZ LYS A 59 -14.266 -5.249 -10.974 1.00 0.00 N ATOM 0 H LYS A 59 -10.352 -7.568 -6.493 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.480 -5.804 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.908 -7.990 -8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.228 -7.028 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.776 -5.420 -10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.827 -6.734 -10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.937 -7.245 -11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.980 -8.205 -10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.049 -7.002 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.007 -6.036 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.470 -4.376 -10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.373 -5.138 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.038 -5.436 -11.646 1.00 0.00 H new ATOM 956 N PHE A 60 -11.584 -4.591 -6.477 1.00 0.00 N ATOM 957 CA PHE A 60 -12.261 -3.319 -6.082 1.00 0.00 C ATOM 958 C PHE A 60 -11.300 -2.430 -5.288 1.00 0.00 C ATOM 959 O PHE A 60 -11.407 -1.218 -5.304 1.00 0.00 O ATOM 960 CB PHE A 60 -13.437 -3.753 -5.206 1.00 0.00 C ATOM 961 CG PHE A 60 -14.485 -4.421 -6.064 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.425 -3.646 -6.753 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.516 -5.817 -6.169 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.396 -4.265 -7.547 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.488 -6.437 -6.963 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.428 -5.661 -7.653 1.00 0.00 C ATOM 0 H PHE A 60 -11.634 -5.339 -5.785 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.587 -2.740 -6.946 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.094 -4.440 -4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.865 -2.888 -4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.401 -2.569 -6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.790 -6.415 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.121 -3.666 -8.078 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.513 -7.514 -7.044 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.177 -6.139 -8.267 1.00 0.00 H new ATOM 976 N GLU A 61 -10.363 -3.025 -4.595 1.00 0.00 N ATOM 977 CA GLU A 61 -9.388 -2.220 -3.796 1.00 0.00 C ATOM 978 C GLU A 61 -8.390 -1.523 -4.724 1.00 0.00 C ATOM 979 O GLU A 61 -7.868 -0.471 -4.408 1.00 0.00 O ATOM 980 CB GLU A 61 -8.670 -3.231 -2.899 1.00 0.00 C ATOM 981 CG GLU A 61 -9.597 -3.650 -1.757 1.00 0.00 C ATOM 982 CD GLU A 61 -8.878 -4.657 -0.857 1.00 0.00 C ATOM 983 OE1 GLU A 61 -7.978 -4.245 -0.143 1.00 0.00 O ATOM 984 OE2 GLU A 61 -9.237 -5.822 -0.898 1.00 0.00 O ATOM 0 H GLU A 61 -10.230 -4.035 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.880 -1.440 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.375 -4.104 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.757 -2.792 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.895 -2.776 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.509 -4.092 -2.159 1.00 0.00 H new ATOM 991 N ASP A 62 -8.124 -2.105 -5.867 1.00 0.00 N ATOM 992 CA ASP A 62 -7.160 -1.481 -6.824 1.00 0.00 C ATOM 993 C ASP A 62 -7.835 -0.337 -7.586 1.00 0.00 C ATOM 994 O ASP A 62 -7.189 0.605 -8.004 1.00 0.00 O ATOM 995 CB ASP A 62 -6.767 -2.606 -7.784 1.00 0.00 C ATOM 996 CG ASP A 62 -5.500 -2.208 -8.545 1.00 0.00 C ATOM 997 OD1 ASP A 62 -5.557 -1.241 -9.286 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.495 -2.879 -8.375 1.00 0.00 O ATOM 0 H ASP A 62 -8.533 -2.986 -6.179 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.293 -1.057 -6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.596 -3.529 -7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.579 -2.801 -8.485 1.00 0.00 H new ATOM 1003 N MET A 63 -9.129 -0.415 -7.767 1.00 0.00 N ATOM 1004 CA MET A 63 -9.855 0.665 -8.501 1.00 0.00 C ATOM 1005 C MET A 63 -10.158 1.835 -7.560 1.00 0.00 C ATOM 1006 O MET A 63 -10.259 2.970 -7.983 1.00 0.00 O ATOM 1007 CB MET A 63 -11.153 0.014 -8.983 1.00 0.00 C ATOM 1008 CG MET A 63 -10.899 -0.713 -10.305 1.00 0.00 C ATOM 1009 SD MET A 63 -10.719 0.501 -11.636 1.00 0.00 S ATOM 1010 CE MET A 63 -9.678 -0.506 -12.721 1.00 0.00 C ATOM 0 H MET A 63 -9.715 -1.182 -7.437 1.00 0.00 H new ATOM 0 HA MET A 63 -9.269 1.067 -9.328 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.520 -0.688 -8.234 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.925 0.772 -9.115 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.999 -1.323 -10.230 1.00 0.00 H new ATOM 0 HG3 MET A 63 -11.725 -1.390 -10.525 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.440 0.058 -13.623 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.756 -0.766 -12.202 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.210 -1.417 -12.993 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.304 1.561 -6.288 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.601 2.654 -5.312 1.00 0.00 C ATOM 1022 C ALA A 64 -9.332 3.461 -5.020 1.00 0.00 C ATOM 1023 O ALA A 64 -9.365 4.675 -4.938 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.085 1.942 -4.048 1.00 0.00 C ATOM 0 H ALA A 64 -10.230 0.628 -5.883 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.344 3.355 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.323 2.681 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.976 1.358 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.301 1.279 -3.681 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.218 2.793 -4.862 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.940 3.516 -4.576 1.00 0.00 C ATOM 1032 C LYS A 65 -6.504 4.324 -5.801 1.00 0.00 C ATOM 1033 O LYS A 65 -5.847 5.341 -5.680 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.918 2.420 -4.265 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.755 3.018 -3.472 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.475 2.235 -3.772 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.524 0.882 -3.058 1.00 0.00 C ATOM 1038 NZ LYS A 65 -2.555 0.024 -3.793 1.00 0.00 N ATOM 0 H LYS A 65 -8.137 1.778 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.043 4.220 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.389 1.620 -3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.551 1.977 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.622 4.067 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.973 2.983 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.370 2.087 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.604 2.801 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.248 0.979 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.527 0.457 -3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.532 -0.922 -3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.847 -0.056 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.607 0.450 -3.744 1.00 0.00 H new ATOM 1052 N SER A 66 -6.866 3.878 -6.978 1.00 0.00 N ATOM 1053 CA SER A 66 -6.474 4.617 -8.218 1.00 0.00 C ATOM 1054 C SER A 66 -7.064 6.030 -8.198 1.00 0.00 C ATOM 1055 O SER A 66 -6.427 6.983 -8.608 1.00 0.00 O ATOM 1056 CB SER A 66 -7.065 3.809 -9.375 1.00 0.00 C ATOM 1057 OG SER A 66 -6.585 4.332 -10.607 1.00 0.00 O ATOM 0 H SER A 66 -7.416 3.034 -7.134 1.00 0.00 H new ATOM 0 HA SER A 66 -5.393 4.721 -8.308 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.787 2.759 -9.280 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.154 3.855 -9.347 1.00 0.00 H new ATOM 0 HG SER A 66 -6.961 3.815 -11.350 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.275 6.169 -7.720 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.915 7.517 -7.665 1.00 0.00 C ATOM 1065 C ASP A 67 -8.611 8.191 -6.325 1.00 0.00 C ATOM 1066 O ASP A 67 -8.548 9.403 -6.229 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.414 7.250 -7.803 1.00 0.00 C ATOM 1068 CG ASP A 67 -11.133 8.548 -8.176 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -11.227 9.415 -7.324 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.576 8.651 -9.308 1.00 0.00 O ATOM 0 H ASP A 67 -8.849 5.404 -7.365 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.546 8.182 -8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.590 6.492 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.812 6.858 -6.867 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.420 7.411 -5.290 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.118 7.999 -3.948 1.00 0.00 C ATOM 1077 C LYS A 68 -6.785 8.751 -3.989 1.00 0.00 C ATOM 1078 O LYS A 68 -6.610 9.755 -3.325 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.030 6.804 -2.995 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.045 7.301 -1.548 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.332 6.288 -0.652 1.00 0.00 C ATOM 1082 CE LYS A 68 -6.841 6.986 0.619 1.00 0.00 C ATOM 1083 NZ LYS A 68 -5.483 7.495 0.278 1.00 0.00 N ATOM 0 H LYS A 68 -8.460 6.392 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.878 8.713 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.867 6.127 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.118 6.239 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.553 8.271 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.072 7.440 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.010 5.474 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.490 5.845 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.507 7.800 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.804 6.294 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.080 7.987 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.869 6.697 0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.551 8.157 -0.522 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.847 8.270 -4.764 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.519 8.951 -4.855 1.00 0.00 C ATOM 1099 C ALA A 69 -4.609 10.163 -5.787 1.00 0.00 C ATOM 1100 O ALA A 69 -3.884 11.128 -5.634 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.569 7.901 -5.433 1.00 0.00 C ATOM 0 H ALA A 69 -5.943 7.433 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.178 9.318 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.571 8.328 -5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.532 7.038 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.926 7.588 -6.414 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.496 10.118 -6.749 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.639 11.267 -7.697 1.00 0.00 C ATOM 1109 C ARG A 70 -6.065 12.528 -6.940 1.00 0.00 C ATOM 1110 O ARG A 70 -5.761 13.635 -7.342 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.729 10.843 -8.685 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.671 11.738 -9.925 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.615 11.201 -10.893 1.00 0.00 C ATOM 1114 NE ARG A 70 -5.212 12.376 -11.714 1.00 0.00 N ATOM 1115 CZ ARG A 70 -3.961 12.545 -12.042 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -3.044 12.600 -11.115 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -3.627 12.658 -13.299 1.00 0.00 N ATOM 0 H ARG A 70 -6.128 9.336 -6.920 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.702 11.499 -8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.591 9.800 -8.970 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.710 10.918 -8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.646 11.766 -10.412 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.429 12.761 -9.637 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.763 10.784 -10.356 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.020 10.404 -11.517 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.915 13.049 -12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.305 12.511 -10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.066 12.732 -11.372 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.344 12.614 -14.023 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.649 12.790 -13.557 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.765 12.366 -5.846 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.215 13.552 -5.055 1.00 0.00 C ATOM 1133 C TYR A 71 -6.017 14.217 -4.372 1.00 0.00 C ATOM 1134 O TYR A 71 -6.013 15.411 -4.131 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.187 12.998 -4.011 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.889 14.142 -3.319 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -9.854 14.888 -4.005 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -8.573 14.457 -1.992 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -10.505 15.949 -3.364 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -9.223 15.518 -1.351 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.189 16.264 -2.037 1.00 0.00 C ATOM 1142 OH TYR A 71 -10.830 17.311 -1.405 1.00 0.00 O ATOM 0 H TYR A 71 -7.045 11.462 -5.466 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.685 14.308 -5.684 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.917 12.345 -4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.648 12.393 -3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.097 14.645 -5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.828 13.881 -1.463 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.251 16.524 -3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.979 15.761 -0.327 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.495 17.394 -0.488 1.00 0.00 H new