USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 444 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 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 120:sc= -1.14 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -0.0414 (180deg=-0.38) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.7) USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.737) USER MOD Single : A 54 ASN : amide:sc= -9.82! C(o=-9.8!,f=-23!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 153:sc= -0.125 (180deg=-0.617) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 137 N TYR A 12 4.432 -1.190 -11.090 1.00 0.00 N ATOM 138 CA TYR A 12 5.049 -0.519 -9.953 1.00 0.00 C ATOM 139 C TYR A 12 6.200 0.375 -10.406 1.00 0.00 C ATOM 140 O TYR A 12 6.846 0.130 -11.424 1.00 0.00 O ATOM 141 CB TYR A 12 5.555 -1.547 -8.940 1.00 0.00 C ATOM 142 CG TYR A 12 4.464 -2.427 -8.374 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.202 -1.915 -8.102 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.695 -3.772 -8.112 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.202 -2.715 -7.583 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.701 -4.581 -7.595 1.00 0.00 C ATOM 147 CZ TYR A 12 2.457 -4.047 -7.332 1.00 0.00 C ATOM 148 OH TYR A 12 1.463 -4.848 -6.817 1.00 0.00 O ATOM 0 HA TYR A 12 4.292 0.106 -9.479 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.306 -2.176 -9.418 1.00 0.00 H new ATOM 0 HB3 TYR A 12 6.050 -1.025 -8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.999 -0.873 -8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.669 -4.193 -8.316 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.227 -2.300 -7.375 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.897 -5.625 -7.398 1.00 0.00 H new ATOM 0 HH TYR A 12 1.805 -5.759 -6.700 1.00 0.00 H new ATOM 158 N PRO A 13 6.463 1.437 -9.630 1.00 0.00 N ATOM 159 CA PRO A 13 5.700 1.739 -8.415 1.00 0.00 C ATOM 160 C PRO A 13 4.277 2.193 -8.722 1.00 0.00 C ATOM 161 O PRO A 13 3.987 2.659 -9.825 1.00 0.00 O ATOM 162 CB PRO A 13 6.496 2.876 -7.770 1.00 0.00 C ATOM 163 CG PRO A 13 7.216 3.525 -8.901 1.00 0.00 C ATOM 164 CD PRO A 13 7.526 2.426 -9.880 1.00 0.00 C ATOM 0 HA PRO A 13 5.587 0.863 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.838 3.582 -7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.193 2.497 -7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.601 4.297 -9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.129 4.009 -8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.506 2.786 -10.908 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.516 2.003 -9.710 1.00 0.00 H new ATOM 172 N LEU A 14 3.392 2.054 -7.741 1.00 0.00 N ATOM 173 CA LEU A 14 1.998 2.451 -7.906 1.00 0.00 C ATOM 174 C LEU A 14 1.512 3.247 -6.700 1.00 0.00 C ATOM 175 O LEU A 14 1.509 2.749 -5.573 1.00 0.00 O ATOM 176 CB LEU A 14 1.117 1.217 -8.107 1.00 0.00 C ATOM 177 CG LEU A 14 0.985 0.713 -9.544 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.495 -0.727 -9.562 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.045 1.608 -10.339 1.00 0.00 C ATOM 0 H LEU A 14 3.615 1.669 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 14 1.929 3.087 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.515 0.408 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.120 1.442 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 14 1.969 0.746 -10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.407 -1.069 -10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.205 -1.360 -9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.479 -0.786 -9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.037 1.234 -11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.940 1.607 -9.872 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.438 2.625 -10.355 1.00 0.00 H new ATOM 191 N THR A 15 1.098 4.487 -6.942 1.00 0.00 N ATOM 192 CA THR A 15 0.608 5.352 -5.877 1.00 0.00 C ATOM 193 C THR A 15 -0.846 5.042 -5.542 1.00 0.00 C ATOM 194 O THR A 15 -1.729 5.166 -6.392 1.00 0.00 O ATOM 195 CB THR A 15 0.729 6.839 -6.259 1.00 0.00 C ATOM 196 OG1 THR A 15 2.014 7.093 -6.838 1.00 0.00 O ATOM 197 CG2 THR A 15 0.531 7.729 -5.042 1.00 0.00 C ATOM 0 H THR A 15 1.093 4.915 -7.868 1.00 0.00 H new ATOM 0 HA THR A 15 1.229 5.158 -5.002 1.00 0.00 H new ATOM 0 HB THR A 15 -0.049 7.068 -6.987 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.082 8.040 -7.080 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.621 8.774 -5.337 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.459 7.555 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.289 7.497 -4.294 1.00 0.00 H new ATOM 205 N CYS A 16 -1.089 4.639 -4.300 1.00 0.00 N ATOM 206 CA CYS A 16 -2.439 4.311 -3.853 1.00 0.00 C ATOM 207 C CYS A 16 -2.949 5.347 -2.857 1.00 0.00 C ATOM 208 O CYS A 16 -2.215 6.250 -2.454 1.00 0.00 O ATOM 209 CB CYS A 16 -2.464 2.920 -3.217 1.00 0.00 C ATOM 210 SG CYS A 16 -0.936 2.473 -2.358 1.00 0.00 S ATOM 0 H CYS A 16 -0.370 4.531 -3.585 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.095 4.317 -4.724 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.293 2.870 -2.511 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.661 2.181 -3.993 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.194 2.243 -1.105 1.00 0.00 H new ATOM 216 N LYS A 17 -4.211 5.212 -2.465 1.00 0.00 N ATOM 217 CA LYS A 17 -4.821 6.137 -1.516 1.00 0.00 C ATOM 218 C LYS A 17 -5.464 5.382 -0.358 1.00 0.00 C ATOM 219 O LYS A 17 -6.454 4.673 -0.539 1.00 0.00 O ATOM 220 CB LYS A 17 -5.869 7.003 -2.219 1.00 0.00 C ATOM 221 CG LYS A 17 -6.513 8.036 -1.310 1.00 0.00 C ATOM 222 CD LYS A 17 -5.683 9.306 -1.234 1.00 0.00 C ATOM 223 CE LYS A 17 -6.377 10.376 -0.405 1.00 0.00 C ATOM 224 NZ LYS A 17 -5.765 11.718 -0.607 1.00 0.00 N ATOM 0 H LYS A 17 -4.832 4.471 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.036 6.779 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.401 7.513 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.646 6.358 -2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.511 8.274 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.633 7.618 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.710 9.080 -0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.502 9.684 -2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.433 10.414 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.325 10.108 0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.266 12.419 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.764 11.688 -0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.837 11.985 -1.610 1.00 0.00 H new ATOM 238 N VAL A 18 -4.896 5.539 0.834 1.00 0.00 N ATOM 239 CA VAL A 18 -5.416 4.875 2.023 1.00 0.00 C ATOM 240 C VAL A 18 -6.796 5.408 2.392 1.00 0.00 C ATOM 241 O VAL A 18 -6.928 6.524 2.895 1.00 0.00 O ATOM 242 CB VAL A 18 -4.470 5.054 3.225 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.069 4.426 4.474 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.104 4.457 2.921 1.00 0.00 C ATOM 0 H VAL A 18 -4.075 6.121 1.001 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.492 3.814 1.785 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.342 6.121 3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.387 4.562 5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.022 4.904 4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.228 3.361 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.448 4.592 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.211 3.393 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.673 4.957 2.054 1.00 0.00 H new ATOM 254 N VAL A 19 -7.823 4.603 2.139 1.00 0.00 N ATOM 255 CA VAL A 19 -9.194 4.993 2.446 1.00 0.00 C ATOM 256 C VAL A 19 -9.643 4.415 3.783 1.00 0.00 C ATOM 257 O VAL A 19 -10.533 4.958 4.438 1.00 0.00 O ATOM 258 CB VAL A 19 -10.168 4.532 1.346 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.130 5.488 0.163 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.841 3.113 0.905 1.00 0.00 C ATOM 0 H VAL A 19 -7.731 3.677 1.722 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.209 6.082 2.501 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.178 4.538 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.825 5.146 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.417 6.487 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.121 5.518 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.539 2.804 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.824 3.079 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.925 2.439 1.757 1.00 0.00 H new ATOM 270 N TYR A 20 -9.023 3.311 4.182 1.00 0.00 N ATOM 271 CA TYR A 20 -9.360 2.657 5.441 1.00 0.00 C ATOM 272 C TYR A 20 -8.153 2.616 6.374 1.00 0.00 C ATOM 273 O TYR A 20 -7.132 2.005 6.059 1.00 0.00 O ATOM 274 CB TYR A 20 -9.868 1.238 5.183 1.00 0.00 C ATOM 275 CG TYR A 20 -11.321 1.180 4.768 1.00 0.00 C ATOM 276 CD1 TYR A 20 -11.805 1.987 3.746 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.210 0.319 5.399 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.132 1.939 3.365 1.00 0.00 C ATOM 279 CE2 TYR A 20 -13.538 0.263 5.024 1.00 0.00 C ATOM 280 CZ TYR A 20 -13.994 1.075 4.006 1.00 0.00 C ATOM 281 OH TYR A 20 -15.317 1.022 3.629 1.00 0.00 O ATOM 0 H TYR A 20 -8.284 2.849 3.652 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.148 3.236 5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.258 0.779 4.405 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.733 0.643 6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.132 2.664 3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.857 -0.318 6.197 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.492 2.575 2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.216 -0.413 5.525 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.788 0.362 4.179 1.00 0.00 H new ATOM 291 N SER A 21 -8.280 3.270 7.524 1.00 0.00 N ATOM 292 CA SER A 21 -7.200 3.311 8.502 1.00 0.00 C ATOM 293 C SER A 21 -6.895 1.914 9.035 1.00 0.00 C ATOM 294 O SER A 21 -7.769 1.048 9.072 1.00 0.00 O ATOM 295 CB SER A 21 -7.568 4.242 9.660 1.00 0.00 C ATOM 296 OG SER A 21 -8.389 3.579 10.605 1.00 0.00 O ATOM 0 H SER A 21 -9.120 3.778 7.801 1.00 0.00 H new ATOM 0 HA SER A 21 -6.308 3.694 8.006 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.660 4.597 10.148 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.087 5.120 9.275 1.00 0.00 H new ATOM 0 HG SER A 21 -8.609 4.194 11.336 1.00 0.00 H new ATOM 302 N TYR A 22 -5.650 1.704 9.446 1.00 0.00 N ATOM 303 CA TYR A 22 -5.227 0.412 9.974 1.00 0.00 C ATOM 304 C TYR A 22 -4.004 0.565 10.873 1.00 0.00 C ATOM 305 O TYR A 22 -2.906 0.861 10.403 1.00 0.00 O ATOM 306 CB TYR A 22 -4.916 -0.553 8.829 1.00 0.00 C ATOM 307 CG TYR A 22 -4.129 -1.770 9.261 1.00 0.00 C ATOM 308 CD1 TYR A 22 -4.684 -2.713 10.118 1.00 0.00 C ATOM 309 CD2 TYR A 22 -2.831 -1.978 8.811 1.00 0.00 C ATOM 310 CE1 TYR A 22 -3.969 -3.826 10.515 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.109 -3.089 9.202 1.00 0.00 C ATOM 312 CZ TYR A 22 -2.682 -4.010 10.054 1.00 0.00 C ATOM 313 OH TYR A 22 -1.966 -5.118 10.447 1.00 0.00 O ATOM 0 H TYR A 22 -4.916 2.412 9.424 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.044 0.006 10.570 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.852 -0.878 8.374 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.355 -0.022 8.060 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.692 -2.573 10.480 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.379 -1.259 8.144 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.415 -4.548 11.183 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.101 -3.236 8.842 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.581 -5.861 10.618 1.00 0.00 H new ATOM 323 N LYS A 23 -4.203 0.360 12.171 1.00 0.00 N ATOM 324 CA LYS A 23 -3.118 0.472 13.138 1.00 0.00 C ATOM 325 C LYS A 23 -2.283 -0.805 13.170 1.00 0.00 C ATOM 326 O LYS A 23 -2.653 -1.783 13.817 1.00 0.00 O ATOM 327 CB LYS A 23 -3.678 0.762 14.533 1.00 0.00 C ATOM 328 CG LYS A 23 -2.731 1.554 15.416 1.00 0.00 C ATOM 329 CD LYS A 23 -1.741 0.647 16.128 1.00 0.00 C ATOM 330 CE LYS A 23 -2.389 -0.071 17.302 1.00 0.00 C ATOM 331 NZ LYS A 23 -2.776 0.874 18.385 1.00 0.00 N ATOM 0 H LYS A 23 -5.106 0.115 12.577 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.476 1.298 12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.613 1.312 14.433 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.915 -0.182 15.024 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.189 2.280 14.810 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.304 2.117 16.152 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.346 -0.086 15.425 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.895 1.236 16.482 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.272 -0.608 16.956 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.698 -0.815 17.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.892 0.351 19.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.034 1.594 18.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.673 1.338 18.137 1.00 0.00 H new ATOM 345 N ALA A 24 -1.155 -0.786 12.468 1.00 0.00 N ATOM 346 CA ALA A 24 -0.266 -1.940 12.418 1.00 0.00 C ATOM 347 C ALA A 24 -0.175 -2.621 13.780 1.00 0.00 C ATOM 348 O ALA A 24 -0.218 -1.961 14.818 1.00 0.00 O ATOM 349 CB ALA A 24 1.117 -1.522 11.942 1.00 0.00 C ATOM 0 H ALA A 24 -0.835 0.016 11.926 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.681 -2.656 11.709 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.770 -2.394 11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.043 -1.087 10.945 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.531 -0.784 12.630 1.00 0.00 H new ATOM 355 N SER A 25 -0.050 -3.944 13.768 1.00 0.00 N ATOM 356 CA SER A 25 0.043 -4.715 15.002 1.00 0.00 C ATOM 357 C SER A 25 1.398 -5.407 15.110 1.00 0.00 C ATOM 358 O SER A 25 1.859 -5.722 16.207 1.00 0.00 O ATOM 359 CB SER A 25 -1.079 -5.753 15.066 1.00 0.00 C ATOM 360 OG SER A 25 -0.773 -6.884 14.269 1.00 0.00 O ATOM 0 H SER A 25 -0.011 -4.505 12.917 1.00 0.00 H new ATOM 0 HA SER A 25 -0.061 -4.026 15.840 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.233 -6.063 16.099 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.013 -5.306 14.725 1.00 0.00 H new ATOM 0 HG SER A 25 -1.505 -7.533 14.328 1.00 0.00 H new ATOM 366 N GLN A 26 2.030 -5.639 13.964 1.00 0.00 N ATOM 367 CA GLN A 26 3.332 -6.295 13.929 1.00 0.00 C ATOM 368 C GLN A 26 4.436 -5.295 13.602 1.00 0.00 C ATOM 369 O GLN A 26 4.213 -4.283 12.936 1.00 0.00 O ATOM 370 CB GLN A 26 3.330 -7.426 12.899 1.00 0.00 C ATOM 371 CG GLN A 26 2.564 -8.659 13.351 1.00 0.00 C ATOM 372 CD GLN A 26 2.601 -9.777 12.328 1.00 0.00 C ATOM 373 OE1 GLN A 26 3.669 -10.285 11.986 1.00 0.00 O ATOM 374 NE2 GLN A 26 1.432 -10.165 11.833 1.00 0.00 N ATOM 0 H GLN A 26 1.662 -5.383 13.048 1.00 0.00 H new ATOM 0 HA GLN A 26 3.527 -6.714 14.916 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.895 -7.059 11.969 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.360 -7.708 12.680 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.983 -9.018 14.291 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.527 -8.386 13.548 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.571 -9.716 12.146 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.394 -10.913 11.140 1.00 0.00 H new ATOM 383 N PRO A 27 5.656 -5.582 14.080 1.00 0.00 N ATOM 384 CA PRO A 27 6.819 -4.720 13.850 1.00 0.00 C ATOM 385 C PRO A 27 7.277 -4.740 12.396 1.00 0.00 C ATOM 386 O PRO A 27 8.186 -4.004 12.011 1.00 0.00 O ATOM 387 CB PRO A 27 7.893 -5.325 14.757 1.00 0.00 C ATOM 388 CG PRO A 27 7.497 -6.752 14.914 1.00 0.00 C ATOM 389 CD PRO A 27 5.993 -6.770 14.881 1.00 0.00 C ATOM 0 HA PRO A 27 6.600 -3.674 14.064 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.884 -5.236 14.311 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.930 -4.816 15.720 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.912 -7.363 14.112 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.872 -7.160 15.853 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.612 -7.684 14.425 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.568 -6.713 15.883 1.00 0.00 H new ATOM 397 N ASP A 28 6.642 -5.585 11.592 1.00 0.00 N ATOM 398 CA ASP A 28 6.983 -5.699 10.179 1.00 0.00 C ATOM 399 C ASP A 28 5.933 -5.016 9.309 1.00 0.00 C ATOM 400 O ASP A 28 6.152 -4.787 8.120 1.00 0.00 O ATOM 401 CB ASP A 28 7.114 -7.170 9.781 1.00 0.00 C ATOM 402 CG ASP A 28 8.378 -7.807 10.324 1.00 0.00 C ATOM 403 OD1 ASP A 28 9.420 -7.119 10.363 1.00 0.00 O ATOM 404 OD2 ASP A 28 8.326 -8.993 10.710 1.00 0.00 O ATOM 0 H ASP A 28 5.888 -6.201 11.895 1.00 0.00 H new ATOM 0 HA ASP A 28 7.940 -5.201 10.021 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.247 -7.721 10.147 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.108 -7.251 8.694 1.00 0.00 H new ATOM 409 N GLU A 29 4.792 -4.692 9.911 1.00 0.00 N ATOM 410 CA GLU A 29 3.708 -4.036 9.190 1.00 0.00 C ATOM 411 C GLU A 29 3.921 -2.526 9.143 1.00 0.00 C ATOM 412 O GLU A 29 4.836 -1.997 9.775 1.00 0.00 O ATOM 413 CB GLU A 29 2.363 -4.353 9.848 1.00 0.00 C ATOM 414 CG GLU A 29 1.693 -5.599 9.295 1.00 0.00 C ATOM 415 CD GLU A 29 2.413 -6.873 9.691 1.00 0.00 C ATOM 416 OE1 GLU A 29 3.661 -6.858 9.741 1.00 0.00 O ATOM 417 OE2 GLU A 29 1.730 -7.886 9.951 1.00 0.00 O ATOM 0 H GLU A 29 4.595 -4.873 10.895 1.00 0.00 H new ATOM 0 HA GLU A 29 3.703 -4.416 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.513 -4.477 10.920 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.694 -3.502 9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.664 -5.642 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.651 -5.533 8.208 1.00 0.00 H new ATOM 424 N LEU A 30 3.071 -1.838 8.389 1.00 0.00 N ATOM 425 CA LEU A 30 3.165 -0.388 8.258 1.00 0.00 C ATOM 426 C LEU A 30 1.894 0.288 8.761 1.00 0.00 C ATOM 427 O LEU A 30 0.790 -0.028 8.314 1.00 0.00 O ATOM 428 CB LEU A 30 3.418 -0.003 6.799 1.00 0.00 C ATOM 429 CG LEU A 30 4.209 1.285 6.572 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.358 2.500 6.909 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.486 1.280 7.400 1.00 0.00 C ATOM 0 H LEU A 30 2.309 -2.261 7.859 1.00 0.00 H new ATOM 0 HA LEU A 30 4.002 -0.047 8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.950 -0.822 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.455 0.093 6.297 1.00 0.00 H new ATOM 0 HG LEU A 30 4.483 1.339 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.937 3.408 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.473 2.512 6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.053 2.452 7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.036 2.205 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.234 1.202 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.104 0.430 7.111 1.00 0.00 H new ATOM 443 N THR A 31 2.055 1.222 9.693 1.00 0.00 N ATOM 444 CA THR A 31 0.921 1.944 10.256 1.00 0.00 C ATOM 445 C THR A 31 0.386 2.980 9.274 1.00 0.00 C ATOM 446 O THR A 31 1.052 3.973 8.982 1.00 0.00 O ATOM 447 CB THR A 31 1.301 2.649 11.572 1.00 0.00 C ATOM 448 OG1 THR A 31 2.200 1.827 12.326 1.00 0.00 O ATOM 449 CG2 THR A 31 0.062 2.948 12.403 1.00 0.00 C ATOM 0 H THR A 31 2.961 1.496 10.074 1.00 0.00 H new ATOM 0 HA THR A 31 0.146 1.205 10.459 1.00 0.00 H new ATOM 0 HB THR A 31 1.790 3.591 11.326 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.438 2.283 13.160 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.355 3.446 13.327 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.607 3.597 11.838 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.451 2.016 12.640 1.00 0.00 H new ATOM 457 N ILE A 32 -0.820 2.742 8.769 1.00 0.00 N ATOM 458 CA ILE A 32 -1.444 3.657 7.821 1.00 0.00 C ATOM 459 C ILE A 32 -2.675 4.322 8.428 1.00 0.00 C ATOM 460 O ILE A 32 -3.175 3.892 9.467 1.00 0.00 O ATOM 461 CB ILE A 32 -1.853 2.932 6.525 1.00 0.00 C ATOM 462 CG1 ILE A 32 -3.022 1.982 6.794 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.668 2.172 5.947 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.554 1.311 5.547 1.00 0.00 C ATOM 0 H ILE A 32 -1.384 1.924 9.000 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.702 4.419 7.583 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.174 3.676 5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.702 1.216 7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.829 2.538 7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.973 1.665 5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.138 2.871 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.320 1.435 6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.381 0.652 5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.905 2.069 4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.760 0.727 5.081 1.00 0.00 H new ATOM 476 N GLU A 33 -3.158 5.372 7.772 1.00 0.00 N ATOM 477 CA GLU A 33 -4.331 6.096 8.247 1.00 0.00 C ATOM 478 C GLU A 33 -5.075 6.748 7.085 1.00 0.00 C ATOM 479 O GLU A 33 -4.460 7.259 6.150 1.00 0.00 O ATOM 480 CB GLU A 33 -3.923 7.160 9.268 1.00 0.00 C ATOM 481 CG GLU A 33 -3.926 6.660 10.702 1.00 0.00 C ATOM 482 CD GLU A 33 -3.967 7.789 11.714 1.00 0.00 C ATOM 483 OE1 GLU A 33 -4.544 8.850 11.396 1.00 0.00 O ATOM 484 OE2 GLU A 33 -3.422 7.611 12.823 1.00 0.00 O ATOM 0 H GLU A 33 -2.755 5.740 6.910 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.998 5.380 8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.926 7.525 9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.602 8.009 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.787 6.009 10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.035 6.055 10.874 1.00 0.00 H new ATOM 491 N GLU A 34 -6.402 6.727 7.153 1.00 0.00 N ATOM 492 CA GLU A 34 -7.230 7.315 6.107 1.00 0.00 C ATOM 493 C GLU A 34 -6.619 8.617 5.597 1.00 0.00 C ATOM 494 O GLU A 34 -6.064 9.399 6.370 1.00 0.00 O ATOM 495 CB GLU A 34 -8.645 7.573 6.629 1.00 0.00 C ATOM 496 CG GLU A 34 -9.688 7.689 5.531 1.00 0.00 C ATOM 497 CD GLU A 34 -11.104 7.538 6.052 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.338 6.629 6.875 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.977 8.328 5.637 1.00 0.00 O ATOM 0 H GLU A 34 -6.927 6.309 7.921 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.280 6.608 5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.928 6.764 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.645 8.491 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.587 8.657 5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.500 6.927 4.775 1.00 0.00 H new ATOM 506 N HIS A 35 -6.724 8.842 4.291 1.00 0.00 N ATOM 507 CA HIS A 35 -6.182 10.049 3.677 1.00 0.00 C ATOM 508 C HIS A 35 -4.657 10.038 3.713 1.00 0.00 C ATOM 509 O HIS A 35 -4.029 11.035 4.067 1.00 0.00 O ATOM 510 CB HIS A 35 -6.712 11.292 4.392 1.00 0.00 C ATOM 511 CG HIS A 35 -8.152 11.186 4.791 1.00 0.00 C ATOM 512 ND1 HIS A 35 -9.187 11.196 3.881 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.726 11.066 6.011 1.00 0.00 C ATOM 514 CE1 HIS A 35 -10.336 11.088 4.523 1.00 0.00 C ATOM 515 NE2 HIS A 35 -10.084 11.007 5.817 1.00 0.00 N ATOM 0 H HIS A 35 -7.179 8.205 3.638 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.503 10.074 2.636 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.109 11.474 5.282 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.587 12.157 3.740 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.212 11.024 6.960 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.315 11.069 4.067 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.784 10.915 6.553 1.00 0.00 H new ATOM 524 N GLU A 36 -4.069 8.905 3.344 1.00 0.00 N ATOM 525 CA GLU A 36 -2.617 8.765 3.336 1.00 0.00 C ATOM 526 C GLU A 36 -2.137 8.153 2.023 1.00 0.00 C ATOM 527 O GLU A 36 -2.326 6.962 1.775 1.00 0.00 O ATOM 528 CB GLU A 36 -2.159 7.901 4.512 1.00 0.00 C ATOM 529 CG GLU A 36 -0.671 7.593 4.498 1.00 0.00 C ATOM 530 CD GLU A 36 0.150 8.651 5.210 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.390 9.301 6.130 1.00 0.00 O ATOM 532 OE2 GLU A 36 1.332 8.829 4.847 1.00 0.00 O ATOM 0 H GLU A 36 -4.575 8.071 3.047 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.181 9.759 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.407 8.409 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.716 6.964 4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.499 6.626 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.331 7.508 3.466 1.00 0.00 H new ATOM 539 N VAL A 37 -1.515 8.976 1.185 1.00 0.00 N ATOM 540 CA VAL A 37 -1.007 8.517 -0.102 1.00 0.00 C ATOM 541 C VAL A 37 0.307 7.761 0.064 1.00 0.00 C ATOM 542 O VAL A 37 1.269 8.283 0.629 1.00 0.00 O ATOM 543 CB VAL A 37 -0.791 9.693 -1.072 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.288 9.191 -2.417 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.076 10.490 -1.238 1.00 0.00 C ATOM 0 H VAL A 37 -1.351 9.965 1.375 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.759 7.846 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.033 10.353 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.141 10.036 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.659 8.668 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.020 8.508 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.905 11.317 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.857 9.842 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.388 10.883 -0.270 1.00 0.00 H new ATOM 555 N LEU A 38 0.341 6.529 -0.432 1.00 0.00 N ATOM 556 CA LEU A 38 1.537 5.700 -0.340 1.00 0.00 C ATOM 557 C LEU A 38 2.034 5.304 -1.727 1.00 0.00 C ATOM 558 O LEU A 38 1.439 5.675 -2.738 1.00 0.00 O ATOM 559 CB LEU A 38 1.251 4.447 0.489 1.00 0.00 C ATOM 560 CG LEU A 38 0.707 4.683 1.898 1.00 0.00 C ATOM 561 CD1 LEU A 38 0.015 3.434 2.420 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.827 5.107 2.838 1.00 0.00 C ATOM 0 H LEU A 38 -0.446 6.082 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 38 2.316 6.283 0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.536 3.831 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.173 3.871 0.569 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.027 5.487 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.366 3.622 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.813 3.174 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.727 2.609 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.422 5.271 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.585 4.324 2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.278 6.030 2.474 1.00 0.00 H new ATOM 574 N GLU A 39 3.126 4.548 -1.765 1.00 0.00 N ATOM 575 CA GLU A 39 3.701 4.101 -3.028 1.00 0.00 C ATOM 576 C GLU A 39 4.066 2.620 -2.967 1.00 0.00 C ATOM 577 O GLU A 39 5.012 2.230 -2.282 1.00 0.00 O ATOM 578 CB GLU A 39 4.941 4.929 -3.371 1.00 0.00 C ATOM 579 CG GLU A 39 5.416 4.749 -4.803 1.00 0.00 C ATOM 580 CD GLU A 39 6.407 5.816 -5.228 1.00 0.00 C ATOM 581 OE1 GLU A 39 6.295 6.958 -4.736 1.00 0.00 O ATOM 582 OE2 GLU A 39 7.294 5.508 -6.051 1.00 0.00 O ATOM 0 H GLU A 39 3.630 4.232 -0.936 1.00 0.00 H new ATOM 0 HA GLU A 39 2.952 4.241 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.723 5.983 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.749 4.656 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.878 3.767 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.556 4.770 -5.472 1.00 0.00 H new ATOM 589 N VAL A 40 3.307 1.800 -3.687 1.00 0.00 N ATOM 590 CA VAL A 40 3.550 0.362 -3.715 1.00 0.00 C ATOM 591 C VAL A 40 4.770 0.027 -4.565 1.00 0.00 C ATOM 592 O VAL A 40 4.740 0.156 -5.789 1.00 0.00 O ATOM 593 CB VAL A 40 2.330 -0.402 -4.263 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.592 -1.900 -4.258 1.00 0.00 C ATOM 595 CG2 VAL A 40 1.085 -0.067 -3.456 1.00 0.00 C ATOM 0 H VAL A 40 2.519 2.106 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 40 3.732 0.051 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 40 2.161 -0.091 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.719 -2.423 -4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.457 -2.120 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.788 -2.232 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.233 -0.616 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.240 -0.348 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.889 1.003 -3.517 1.00 0.00 H new ATOM 605 N ILE A 41 5.842 -0.403 -3.908 1.00 0.00 N ATOM 606 CA ILE A 41 7.072 -0.758 -4.604 1.00 0.00 C ATOM 607 C ILE A 41 7.158 -2.263 -4.836 1.00 0.00 C ATOM 608 O ILE A 41 7.671 -2.714 -5.860 1.00 0.00 O ATOM 609 CB ILE A 41 8.316 -0.300 -3.819 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.299 -0.888 -2.406 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.378 1.219 -3.765 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.497 -0.492 -1.573 1.00 0.00 C ATOM 0 H ILE A 41 5.883 -0.514 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 41 7.049 -0.245 -5.565 1.00 0.00 H new ATOM 0 HB ILE A 41 9.206 -0.663 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.390 -0.565 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.257 -1.975 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.262 1.527 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.431 1.617 -4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.485 1.602 -3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.418 -0.944 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.409 -0.839 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.529 0.593 -1.474 1.00 0.00 H new ATOM 624 N GLU A 42 6.650 -3.034 -3.880 1.00 0.00 N ATOM 625 CA GLU A 42 6.668 -4.488 -3.982 1.00 0.00 C ATOM 626 C GLU A 42 5.302 -5.075 -3.640 1.00 0.00 C ATOM 627 O GLU A 42 4.432 -4.383 -3.111 1.00 0.00 O ATOM 628 CB GLU A 42 7.734 -5.073 -3.052 1.00 0.00 C ATOM 629 CG GLU A 42 9.101 -5.206 -3.702 1.00 0.00 C ATOM 630 CD GLU A 42 9.063 -6.021 -4.980 1.00 0.00 C ATOM 631 OE1 GLU A 42 8.916 -7.258 -4.892 1.00 0.00 O ATOM 632 OE2 GLU A 42 9.180 -5.420 -6.069 1.00 0.00 O ATOM 0 H GLU A 42 6.221 -2.676 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 42 6.909 -4.751 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.821 -4.440 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.407 -6.055 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.493 -4.213 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.790 -5.673 -2.998 1.00 0.00 H new ATOM 639 N ASP A 43 5.121 -6.355 -3.946 1.00 0.00 N ATOM 640 CA ASP A 43 3.861 -7.036 -3.671 1.00 0.00 C ATOM 641 C ASP A 43 3.944 -7.828 -2.369 1.00 0.00 C ATOM 642 O ASP A 43 3.444 -8.948 -2.279 1.00 0.00 O ATOM 643 CB ASP A 43 3.498 -7.969 -4.827 1.00 0.00 C ATOM 644 CG ASP A 43 4.718 -8.608 -5.461 1.00 0.00 C ATOM 645 OD1 ASP A 43 5.417 -9.373 -4.763 1.00 0.00 O ATOM 646 OD2 ASP A 43 4.974 -8.344 -6.654 1.00 0.00 O ATOM 0 H ASP A 43 5.831 -6.942 -4.385 1.00 0.00 H new ATOM 0 HA ASP A 43 3.083 -6.280 -3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.830 -8.750 -4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.950 -7.408 -5.584 1.00 0.00 H new ATOM 651 N GLY A 44 4.580 -7.236 -1.362 1.00 0.00 N ATOM 652 CA GLY A 44 4.718 -7.901 -0.080 1.00 0.00 C ATOM 653 C GLY A 44 5.072 -9.368 -0.222 1.00 0.00 C ATOM 654 O GLY A 44 5.737 -9.763 -1.180 1.00 0.00 O ATOM 0 H GLY A 44 5.002 -6.309 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.489 -7.399 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.785 -7.808 0.476 1.00 0.00 H new ATOM 714 N TRP A 49 -1.822 -8.684 0.696 1.00 0.00 N ATOM 715 CA TRP A 49 -1.084 -7.544 1.229 1.00 0.00 C ATOM 716 C TRP A 49 -0.100 -7.003 0.199 1.00 0.00 C ATOM 717 O TRP A 49 0.089 -7.594 -0.864 1.00 0.00 O ATOM 718 CB TRP A 49 -0.339 -7.944 2.504 1.00 0.00 C ATOM 719 CG TRP A 49 -1.250 -8.342 3.625 1.00 0.00 C ATOM 720 CD1 TRP A 49 -2.122 -9.393 3.639 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.381 -7.693 4.895 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.787 -9.436 4.841 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.350 -8.404 5.629 1.00 0.00 C ATOM 724 CE3 TRP A 49 -0.773 -6.581 5.483 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.723 -8.038 6.919 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.144 -6.219 6.764 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.111 -6.946 7.471 1.00 0.00 C ATOM 0 HA TRP A 49 -1.801 -6.758 1.467 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.332 -8.773 2.279 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.283 -7.110 2.830 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -2.268 -10.088 2.825 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.492 -10.125 5.104 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.027 -6.015 4.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.469 -8.596 7.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.681 -5.361 7.228 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.378 -6.638 8.471 1.00 0.00 H new ATOM 738 N VAL A 50 0.526 -5.875 0.520 1.00 0.00 N ATOM 739 CA VAL A 50 1.493 -5.254 -0.378 1.00 0.00 C ATOM 740 C VAL A 50 2.529 -4.451 0.399 1.00 0.00 C ATOM 741 O VAL A 50 2.319 -4.108 1.563 1.00 0.00 O ATOM 742 CB VAL A 50 0.800 -4.329 -1.396 1.00 0.00 C ATOM 743 CG1 VAL A 50 -0.165 -5.120 -2.267 1.00 0.00 C ATOM 744 CG2 VAL A 50 0.079 -3.196 -0.681 1.00 0.00 C ATOM 0 H VAL A 50 0.381 -5.372 1.396 1.00 0.00 H new ATOM 0 HA VAL A 50 1.992 -6.062 -0.913 1.00 0.00 H new ATOM 0 HB VAL A 50 1.562 -3.894 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.645 -4.449 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.382 -5.893 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.924 -5.585 -1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.405 -2.552 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.673 -3.610 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.798 -2.613 -0.105 1.00 0.00 H new ATOM 754 N LYS A 51 3.648 -4.152 -0.251 1.00 0.00 N ATOM 755 CA LYS A 51 4.718 -3.386 0.377 1.00 0.00 C ATOM 756 C LYS A 51 4.746 -1.955 -0.151 1.00 0.00 C ATOM 757 O LYS A 51 5.103 -1.716 -1.303 1.00 0.00 O ATOM 758 CB LYS A 51 6.069 -4.060 0.128 1.00 0.00 C ATOM 759 CG LYS A 51 7.079 -3.828 1.238 1.00 0.00 C ATOM 760 CD LYS A 51 8.405 -4.506 0.937 1.00 0.00 C ATOM 761 CE LYS A 51 9.143 -4.878 2.214 1.00 0.00 C ATOM 762 NZ LYS A 51 9.951 -3.743 2.738 1.00 0.00 N ATOM 0 H LYS A 51 3.838 -4.429 -1.214 1.00 0.00 H new ATOM 0 HA LYS A 51 4.527 -3.354 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.914 -5.132 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.482 -3.691 -0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.238 -2.758 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.681 -4.208 2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.230 -5.403 0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.027 -3.842 0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.424 -5.192 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.795 -5.730 2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.808 -4.110 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.221 -3.117 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.389 -3.207 3.430 1.00 0.00 H new ATOM 776 N ALA A 52 4.367 -1.008 0.701 1.00 0.00 N ATOM 777 CA ALA A 52 4.352 0.399 0.321 1.00 0.00 C ATOM 778 C ALA A 52 5.187 1.237 1.284 1.00 0.00 C ATOM 779 O ALA A 52 5.436 0.831 2.419 1.00 0.00 O ATOM 780 CB ALA A 52 2.923 0.918 0.271 1.00 0.00 C ATOM 0 H ALA A 52 4.066 -1.190 1.659 1.00 0.00 H new ATOM 0 HA ALA A 52 4.793 0.485 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.928 1.970 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.354 0.346 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.462 0.810 1.253 1.00 0.00 H new ATOM 786 N ARG A 53 5.618 2.406 0.823 1.00 0.00 N ATOM 787 CA ARG A 53 6.427 3.300 1.643 1.00 0.00 C ATOM 788 C ARG A 53 5.745 4.655 1.807 1.00 0.00 C ATOM 789 O ARG A 53 5.281 5.248 0.835 1.00 0.00 O ATOM 790 CB ARG A 53 7.812 3.486 1.019 1.00 0.00 C ATOM 791 CG ARG A 53 8.846 4.038 1.986 1.00 0.00 C ATOM 792 CD ARG A 53 10.173 4.302 1.291 1.00 0.00 C ATOM 793 NE ARG A 53 10.982 3.091 1.177 1.00 0.00 N ATOM 794 CZ ARG A 53 12.256 3.091 0.800 1.00 0.00 C ATOM 795 NH1 ARG A 53 12.863 4.232 0.504 1.00 0.00 N ATOM 796 NH2 ARG A 53 12.925 1.948 0.720 1.00 0.00 N ATOM 0 H ARG A 53 5.421 2.757 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 53 6.538 2.847 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.161 2.527 0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.729 4.159 0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.475 4.963 2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.996 3.332 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.987 4.708 0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.729 5.058 1.846 1.00 0.00 H new ATOM 0 HE ARG A 53 10.545 2.197 1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.352 5.113 0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.841 4.229 0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.461 1.069 0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.903 1.949 0.430 1.00 0.00 H new ATOM 810 N ASN A 54 5.687 5.137 3.044 1.00 0.00 N ATOM 811 CA ASN A 54 5.060 6.421 3.336 1.00 0.00 C ATOM 812 C ASN A 54 6.040 7.568 3.110 1.00 0.00 C ATOM 813 O ASN A 54 7.179 7.354 2.693 1.00 0.00 O ATOM 814 CB ASN A 54 4.551 6.447 4.778 1.00 0.00 C ATOM 815 CG ASN A 54 5.490 5.741 5.736 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.693 5.650 5.490 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.943 5.235 6.836 1.00 0.00 N ATOM 0 H ASN A 54 6.067 4.658 3.861 1.00 0.00 H new ATOM 0 HA ASN A 54 4.216 6.548 2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.422 7.482 5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.569 5.975 4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.525 4.748 7.517 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.941 5.334 6.999 1.00 0.00 H new ATOM 824 N LYS A 55 5.589 8.787 3.387 1.00 0.00 N ATOM 825 CA LYS A 55 6.425 9.969 3.217 1.00 0.00 C ATOM 826 C LYS A 55 7.665 9.891 4.102 1.00 0.00 C ATOM 827 O LYS A 55 8.778 10.173 3.655 1.00 0.00 O ATOM 828 CB LYS A 55 5.629 11.234 3.547 1.00 0.00 C ATOM 829 CG LYS A 55 5.014 11.220 4.935 1.00 0.00 C ATOM 830 CD LYS A 55 3.792 12.121 5.013 1.00 0.00 C ATOM 831 CE LYS A 55 3.608 12.690 6.412 1.00 0.00 C ATOM 832 NZ LYS A 55 2.214 13.164 6.638 1.00 0.00 N ATOM 0 H LYS A 55 4.649 8.982 3.730 1.00 0.00 H new ATOM 0 HA LYS A 55 6.745 10.010 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.285 12.100 3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.837 11.358 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.733 10.201 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.755 11.546 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.894 12.937 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.904 11.557 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.857 11.927 7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.302 13.517 6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.129 13.545 7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.985 13.910 5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.554 12.369 6.520 1.00 0.00 H new ATOM 846 N VAL A 56 7.467 9.507 5.358 1.00 0.00 N ATOM 847 CA VAL A 56 8.570 9.389 6.305 1.00 0.00 C ATOM 848 C VAL A 56 9.635 8.427 5.791 1.00 0.00 C ATOM 849 O VAL A 56 10.801 8.513 6.174 1.00 0.00 O ATOM 850 CB VAL A 56 8.078 8.906 7.682 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.405 10.041 8.438 1.00 0.00 C ATOM 852 CG2 VAL A 56 7.132 7.725 7.525 1.00 0.00 C ATOM 0 H VAL A 56 6.553 9.272 5.744 1.00 0.00 H new ATOM 0 HA VAL A 56 9.004 10.383 6.411 1.00 0.00 H new ATOM 0 HB VAL A 56 8.941 8.577 8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.064 9.680 9.408 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.116 10.854 8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.551 10.404 7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.794 7.396 8.508 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.272 8.025 6.927 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.652 6.906 7.028 1.00 0.00 H new ATOM 862 N GLY A 57 9.225 7.509 4.920 1.00 0.00 N ATOM 863 CA GLY A 57 10.156 6.543 4.368 1.00 0.00 C ATOM 864 C GLY A 57 9.937 5.147 4.915 1.00 0.00 C ATOM 865 O GLY A 57 10.552 4.188 4.450 1.00 0.00 O ATOM 0 H GLY A 57 8.265 7.418 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.054 6.524 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.176 6.860 4.587 1.00 0.00 H new ATOM 869 N GLN A 58 9.060 5.033 5.908 1.00 0.00 N ATOM 870 CA GLN A 58 8.764 3.744 6.521 1.00 0.00 C ATOM 871 C GLN A 58 7.914 2.882 5.592 1.00 0.00 C ATOM 872 O GLN A 58 6.809 3.267 5.209 1.00 0.00 O ATOM 873 CB GLN A 58 8.041 3.943 7.854 1.00 0.00 C ATOM 874 CG GLN A 58 8.981 4.134 9.033 1.00 0.00 C ATOM 875 CD GLN A 58 8.244 4.275 10.350 1.00 0.00 C ATOM 876 OE1 GLN A 58 7.034 4.502 10.377 1.00 0.00 O ATOM 877 NE2 GLN A 58 8.971 4.140 11.453 1.00 0.00 N ATOM 0 H GLN A 58 8.543 5.818 6.305 1.00 0.00 H new ATOM 0 HA GLN A 58 9.708 3.230 6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.387 4.812 7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.403 3.080 8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.662 3.285 9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.592 5.021 8.866 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.971 3.952 11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.529 4.224 12.368 1.00 0.00 H new ATOM 886 N VAL A 59 8.438 1.714 5.234 1.00 0.00 N ATOM 887 CA VAL A 59 7.727 0.797 4.350 1.00 0.00 C ATOM 888 C VAL A 59 7.525 -0.560 5.015 1.00 0.00 C ATOM 889 O VAL A 59 8.459 -1.134 5.575 1.00 0.00 O ATOM 890 CB VAL A 59 8.482 0.599 3.022 1.00 0.00 C ATOM 891 CG1 VAL A 59 9.980 0.505 3.268 1.00 0.00 C ATOM 892 CG2 VAL A 59 7.972 -0.639 2.300 1.00 0.00 C ATOM 0 H VAL A 59 9.351 1.380 5.542 1.00 0.00 H new ATOM 0 HA VAL A 59 6.755 1.245 4.143 1.00 0.00 H new ATOM 0 HB VAL A 59 8.297 1.465 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.497 0.365 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.330 1.423 3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.189 -0.341 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.516 -0.764 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.125 -1.516 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.909 -0.525 2.089 1.00 0.00 H new ATOM 902 N GLY A 60 6.299 -1.070 4.948 1.00 0.00 N ATOM 903 CA GLY A 60 5.997 -2.357 5.547 1.00 0.00 C ATOM 904 C GLY A 60 4.925 -3.113 4.787 1.00 0.00 C ATOM 905 O GLY A 60 4.710 -2.872 3.598 1.00 0.00 O ATOM 0 H GLY A 60 5.510 -0.615 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.905 -2.959 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.671 -2.208 6.576 1.00 0.00 H new ATOM 909 N TYR A 61 4.252 -4.030 5.472 1.00 0.00 N ATOM 910 CA TYR A 61 3.200 -4.827 4.852 1.00 0.00 C ATOM 911 C TYR A 61 1.820 -4.310 5.248 1.00 0.00 C ATOM 912 O TYR A 61 1.503 -4.197 6.432 1.00 0.00 O ATOM 913 CB TYR A 61 3.340 -6.296 5.253 1.00 0.00 C ATOM 914 CG TYR A 61 4.671 -6.903 4.872 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.134 -6.845 3.563 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.467 -7.535 5.820 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.349 -7.400 3.210 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.684 -8.090 5.476 1.00 0.00 C ATOM 919 CZ TYR A 61 7.121 -8.021 4.170 1.00 0.00 C ATOM 920 OH TYR A 61 8.332 -8.573 3.822 1.00 0.00 O ATOM 0 H TYR A 61 4.416 -4.240 6.457 1.00 0.00 H new ATOM 0 HA TYR A 61 3.304 -4.741 3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.205 -6.384 6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.541 -6.870 4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.534 -6.358 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.128 -7.593 6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.693 -7.348 2.187 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.290 -8.576 6.226 1.00 0.00 H new ATOM 0 HH TYR A 61 8.750 -8.970 4.614 1.00 0.00 H new ATOM 930 N VAL A 62 1.003 -3.997 4.247 1.00 0.00 N ATOM 931 CA VAL A 62 -0.344 -3.494 4.489 1.00 0.00 C ATOM 932 C VAL A 62 -1.357 -4.171 3.572 1.00 0.00 C ATOM 933 O VAL A 62 -1.039 -4.597 2.462 1.00 0.00 O ATOM 934 CB VAL A 62 -0.419 -1.970 4.280 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.505 -1.251 5.252 1.00 0.00 C ATOM 936 CG2 VAL A 62 -0.076 -1.611 2.842 1.00 0.00 C ATOM 0 H VAL A 62 1.250 -4.083 3.261 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.586 -3.724 5.526 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.440 -1.644 4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.438 -0.175 5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.208 -1.482 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.531 -1.580 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.134 -0.530 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.934 -1.950 2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.782 -2.095 2.168 1.00 0.00 H new ATOM 946 N PRO A 63 -2.607 -4.275 4.046 1.00 0.00 N ATOM 947 CA PRO A 63 -3.693 -4.899 3.285 1.00 0.00 C ATOM 948 C PRO A 63 -4.114 -4.062 2.082 1.00 0.00 C ATOM 949 O PRO A 63 -4.455 -2.888 2.221 1.00 0.00 O ATOM 950 CB PRO A 63 -4.834 -4.987 4.302 1.00 0.00 C ATOM 951 CG PRO A 63 -4.555 -3.898 5.279 1.00 0.00 C ATOM 952 CD PRO A 63 -3.057 -3.790 5.362 1.00 0.00 C ATOM 0 HA PRO A 63 -3.398 -5.863 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.803 -4.850 3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.855 -5.961 4.790 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.997 -2.957 4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.984 -4.129 6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.737 -2.764 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.655 -4.397 6.173 1.00 0.00 H new ATOM 960 N GLU A 64 -4.087 -4.674 0.903 1.00 0.00 N ATOM 961 CA GLU A 64 -4.466 -3.983 -0.324 1.00 0.00 C ATOM 962 C GLU A 64 -5.934 -3.567 -0.284 1.00 0.00 C ATOM 963 O GLU A 64 -6.279 -2.432 -0.612 1.00 0.00 O ATOM 964 CB GLU A 64 -4.211 -4.878 -1.539 1.00 0.00 C ATOM 965 CG GLU A 64 -4.449 -4.181 -2.869 1.00 0.00 C ATOM 966 CD GLU A 64 -5.915 -4.142 -3.253 1.00 0.00 C ATOM 967 OE1 GLU A 64 -6.491 -5.222 -3.505 1.00 0.00 O ATOM 968 OE2 GLU A 64 -6.488 -3.034 -3.301 1.00 0.00 O ATOM 0 H GLU A 64 -3.807 -5.646 0.771 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.854 -3.085 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.182 -5.237 -1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.857 -5.754 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.064 -3.163 -2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.886 -4.694 -3.649 1.00 0.00 H new ATOM 975 N LYS A 65 -6.794 -4.495 0.121 1.00 0.00 N ATOM 976 CA LYS A 65 -8.225 -4.228 0.206 1.00 0.00 C ATOM 977 C LYS A 65 -8.490 -2.912 0.930 1.00 0.00 C ATOM 978 O LYS A 65 -9.553 -2.309 0.773 1.00 0.00 O ATOM 979 CB LYS A 65 -8.937 -5.373 0.930 1.00 0.00 C ATOM 980 CG LYS A 65 -8.431 -5.606 2.343 1.00 0.00 C ATOM 981 CD LYS A 65 -7.294 -6.614 2.370 1.00 0.00 C ATOM 982 CE LYS A 65 -7.254 -7.374 3.686 1.00 0.00 C ATOM 983 NZ LYS A 65 -8.480 -8.194 3.891 1.00 0.00 N ATOM 0 H LYS A 65 -6.525 -5.440 0.396 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.616 -4.150 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.005 -5.161 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.813 -6.289 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.091 -4.662 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.249 -5.962 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.411 -7.318 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.346 -6.099 2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.377 -8.021 3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.147 -6.668 4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.256 -9.006 4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.215 -7.613 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.826 -8.536 2.972 1.00 0.00 H new ATOM 997 N TYR A 66 -7.518 -2.470 1.720 1.00 0.00 N ATOM 998 CA TYR A 66 -7.647 -1.225 2.468 1.00 0.00 C ATOM 999 C TYR A 66 -7.206 -0.034 1.624 1.00 0.00 C ATOM 1000 O TYR A 66 -7.745 1.066 1.751 1.00 0.00 O ATOM 1001 CB TYR A 66 -6.819 -1.290 3.753 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.520 -1.999 4.890 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -8.581 -2.863 4.647 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.121 -1.806 6.207 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -9.224 -3.512 5.683 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -7.757 -2.452 7.248 1.00 0.00 C ATOM 1007 CZ TYR A 66 -8.808 -3.305 6.981 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.446 -3.950 8.016 1.00 0.00 O ATOM 0 H TYR A 66 -6.632 -2.955 1.859 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.698 -1.093 2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.878 -1.799 3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.570 -0.276 4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.908 -3.030 3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.299 -1.139 6.420 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.049 -4.178 5.477 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.434 -2.291 8.266 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.030 -3.696 8.866 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.221 -0.261 0.762 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.705 0.793 -0.105 1.00 0.00 C ATOM 1020 C LEU A 67 -6.560 0.931 -1.361 1.00 0.00 C ATOM 1021 O LEU A 67 -7.313 0.024 -1.713 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.255 0.498 -0.491 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.314 0.137 0.659 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -2.085 -0.590 0.135 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.909 1.386 1.428 1.00 0.00 C ATOM 0 H LEU A 67 -5.764 -1.165 0.645 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.744 1.734 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.251 -0.323 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.852 1.371 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.843 -0.530 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.427 -0.839 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.392 -1.505 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.554 0.052 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.239 1.111 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.399 2.077 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.798 1.866 1.836 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.436 2.072 -2.032 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.196 2.328 -3.249 1.00 0.00 C ATOM 1039 C GLN A 68 -6.264 2.570 -4.432 1.00 0.00 C ATOM 1040 O GLN A 68 -5.834 3.698 -4.676 1.00 0.00 O ATOM 1041 CB GLN A 68 -8.118 3.533 -3.056 1.00 0.00 C ATOM 1042 CG GLN A 68 -9.232 3.618 -4.087 1.00 0.00 C ATOM 1043 CD GLN A 68 -10.387 2.686 -3.777 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -10.240 1.464 -3.814 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -11.544 3.260 -3.468 1.00 0.00 N ATOM 0 H GLN A 68 -5.817 2.833 -1.753 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.801 1.447 -3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.559 3.487 -2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.523 4.446 -3.100 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.600 4.643 -4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.830 3.377 -5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.620 4.277 -3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.357 2.684 -3.249 1.00 0.00 H new ATOM 1054 N PHE A 69 -5.956 1.505 -5.164 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.073 1.601 -6.321 1.00 0.00 C ATOM 1056 C PHE A 69 -5.692 2.480 -7.405 1.00 0.00 C ATOM 1057 O PHE A 69 -6.908 2.657 -7.476 1.00 0.00 O ATOM 1058 CB PHE A 69 -4.780 0.209 -6.883 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.712 -0.530 -6.128 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.594 -0.390 -4.755 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -2.827 -1.364 -6.792 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.612 -1.068 -4.057 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -1.844 -2.045 -6.099 1.00 0.00 C ATOM 1064 CZ PHE A 69 -1.736 -1.896 -4.730 1.00 0.00 C ATOM 0 H PHE A 69 -6.305 0.565 -4.977 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.138 2.058 -5.997 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.697 -0.380 -6.869 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.477 0.303 -7.926 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.277 0.256 -4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.906 -1.483 -7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.530 -0.950 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.161 -2.693 -6.628 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.968 -2.426 -4.187 1.00 0.00 H new ATOM 1074 N PRO A 70 -4.835 3.044 -8.269 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.273 3.913 -9.365 1.00 0.00 C ATOM 1076 C PRO A 70 -6.017 3.145 -10.452 1.00 0.00 C ATOM 1077 O PRO A 70 -5.403 2.483 -11.289 1.00 0.00 O ATOM 1078 CB PRO A 70 -3.962 4.482 -9.913 1.00 0.00 C ATOM 1079 CG PRO A 70 -2.930 3.469 -9.552 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.372 2.876 -8.243 1.00 0.00 C ATOM 0 HA PRO A 70 -5.975 4.675 -9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.014 4.627 -10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.736 5.452 -9.471 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.851 2.701 -10.321 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.947 3.930 -9.459 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.089 1.826 -8.162 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.923 3.394 -7.395 1.00 0.00 H new