USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 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 14 LYS NZ :NH3+ 148:sc= -0.486 (180deg=-1.22) USER MOD Single : A 15 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.1!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 1.1 K(o=1.1,f=-0.034) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -2.13 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.173 USER MOD Single : A 95 THR OG1 : rot -44:sc= 0.66 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.0481 K(o=-0.048,f=-2) USER MOD Single : A 117 CYS SG : rot -7:sc= 0.784 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.254 4.063 11.681 1.00 0.00 N ATOM 120 CA VAL A 13 -8.660 3.938 11.316 1.00 0.00 C ATOM 121 C VAL A 13 -9.160 2.515 11.534 1.00 0.00 C ATOM 122 O VAL A 13 -10.329 2.297 11.852 1.00 0.00 O ATOM 123 CB VAL A 13 -8.896 4.335 9.847 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.358 4.151 9.472 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.451 5.769 9.604 1.00 0.00 C ATOM 0 HA VAL A 13 -9.216 4.618 11.962 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.298 3.681 9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.505 4.437 8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.639 3.106 9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.979 4.778 10.111 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.625 6.032 8.561 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.020 6.440 10.247 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.389 5.863 9.829 1.00 0.00 H new ATOM 135 N LYS A 14 -8.266 1.547 11.360 1.00 0.00 N ATOM 136 CA LYS A 14 -8.615 0.142 11.539 1.00 0.00 C ATOM 137 C LYS A 14 -7.364 -0.706 11.748 1.00 0.00 C ATOM 138 O LYS A 14 -6.363 -0.533 11.053 1.00 0.00 O ATOM 139 CB LYS A 14 -9.394 -0.370 10.325 1.00 0.00 C ATOM 140 CG LYS A 14 -9.712 -1.854 10.388 1.00 0.00 C ATOM 141 CD LYS A 14 -10.291 -2.356 9.076 1.00 0.00 C ATOM 142 CE LYS A 14 -10.162 -3.866 8.952 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.253 -4.450 8.124 1.00 0.00 N ATOM 0 H LYS A 14 -7.294 1.710 11.095 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.242 0.059 12.427 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.326 0.189 10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.817 -0.169 9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.806 -2.412 10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.421 -2.041 11.195 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.341 -2.073 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.777 -1.876 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.198 -4.113 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.180 -4.315 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.895 -5.285 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.044 -4.730 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.583 -3.743 7.436 1.00 0.00 H new ATOM 157 N GLN A 15 -7.431 -1.623 12.708 1.00 0.00 N ATOM 158 CA GLN A 15 -6.303 -2.498 13.007 1.00 0.00 C ATOM 159 C GLN A 15 -6.681 -3.962 12.799 1.00 0.00 C ATOM 160 O GLN A 15 -7.854 -4.325 12.860 1.00 0.00 O ATOM 161 CB GLN A 15 -5.828 -2.280 14.444 1.00 0.00 C ATOM 162 CG GLN A 15 -4.788 -1.181 14.581 1.00 0.00 C ATOM 163 CD GLN A 15 -3.852 -1.405 15.752 1.00 0.00 C ATOM 164 OE1 GLN A 15 -3.939 -2.419 16.446 1.00 0.00 O ATOM 165 NE2 GLN A 15 -2.949 -0.458 15.978 1.00 0.00 N ATOM 0 H GLN A 15 -8.253 -1.779 13.291 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.491 -2.250 12.323 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.687 -2.035 15.069 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.412 -3.212 14.826 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.205 -1.121 13.662 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.292 -0.222 14.702 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.913 0.366 15.378 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.292 -0.554 16.752 1.00 0.00 H new ATOM 174 N GLY A 16 -5.676 -4.798 12.554 1.00 0.00 N ATOM 175 CA GLY A 16 -5.923 -6.212 12.341 1.00 0.00 C ATOM 176 C GLY A 16 -4.652 -6.985 12.052 1.00 0.00 C ATOM 177 O GLY A 16 -3.548 -6.476 12.250 1.00 0.00 O ATOM 0 H GLY A 16 -4.696 -4.521 12.499 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.406 -6.630 13.224 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.617 -6.335 11.509 1.00 0.00 H new ATOM 181 N PHE A 17 -4.806 -8.220 11.584 1.00 0.00 N ATOM 182 CA PHE A 17 -3.661 -9.066 11.270 1.00 0.00 C ATOM 183 C PHE A 17 -3.673 -9.474 9.800 1.00 0.00 C ATOM 184 O PHE A 17 -4.632 -10.081 9.320 1.00 0.00 O ATOM 185 CB PHE A 17 -3.663 -10.313 12.157 1.00 0.00 C ATOM 186 CG PHE A 17 -3.896 -10.014 13.611 1.00 0.00 C ATOM 187 CD1 PHE A 17 -3.083 -9.117 14.286 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.926 -10.631 14.302 1.00 0.00 C ATOM 189 CE1 PHE A 17 -3.295 -8.840 15.623 1.00 0.00 C ATOM 190 CE2 PHE A 17 -5.143 -10.357 15.639 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.325 -9.461 16.301 1.00 0.00 C ATOM 0 H PHE A 17 -5.712 -8.656 11.414 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.754 -8.493 11.462 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.436 -10.997 11.807 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.708 -10.828 12.049 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.275 -8.629 13.761 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.567 -11.334 13.790 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.655 -8.138 16.137 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.951 -10.843 16.166 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.491 -9.247 17.346 1.00 0.00 H new ATOM 201 N LEU A 18 -2.602 -9.137 9.090 1.00 0.00 N ATOM 202 CA LEU A 18 -2.488 -9.467 7.673 1.00 0.00 C ATOM 203 C LEU A 18 -1.461 -10.573 7.453 1.00 0.00 C ATOM 204 O LEU A 18 -0.619 -10.833 8.313 1.00 0.00 O ATOM 205 CB LEU A 18 -2.098 -8.226 6.870 1.00 0.00 C ATOM 206 CG LEU A 18 -3.247 -7.305 6.457 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.713 -6.072 5.744 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.235 -8.050 5.570 1.00 0.00 C ATOM 0 H LEU A 18 -1.800 -8.636 9.472 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.459 -9.824 7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.387 -7.646 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.577 -8.550 5.969 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.769 -6.981 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.545 -5.428 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.045 -5.527 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.166 -6.376 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.046 -7.379 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.725 -8.403 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.643 -8.902 6.115 1.00 0.00 H new ATOM 220 N TYR A 19 -1.535 -11.220 6.295 1.00 0.00 N ATOM 221 CA TYR A 19 -0.612 -12.298 5.961 1.00 0.00 C ATOM 222 C TYR A 19 0.163 -11.976 4.686 1.00 0.00 C ATOM 223 O TYR A 19 -0.421 -11.607 3.667 1.00 0.00 O ATOM 224 CB TYR A 19 -1.372 -13.614 5.791 1.00 0.00 C ATOM 225 CG TYR A 19 -2.362 -13.889 6.900 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.989 -13.779 8.234 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.671 -14.259 6.614 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.890 -14.030 9.250 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.579 -14.511 7.624 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.184 -14.395 8.940 1.00 0.00 C ATOM 231 OH TYR A 19 -5.085 -14.645 9.950 1.00 0.00 O ATOM 0 H TYR A 19 -2.225 -11.016 5.572 1.00 0.00 H new ATOM 0 HA TYR A 19 0.099 -12.401 6.781 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.902 -13.598 4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.656 -14.434 5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.977 -13.492 8.480 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.984 -14.351 5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.583 -13.941 10.282 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.592 -14.797 7.384 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.951 -14.889 9.562 1.00 0.00 H new ATOM 241 N LEU A 20 1.482 -12.121 4.752 1.00 0.00 N ATOM 242 CA LEU A 20 2.339 -11.847 3.603 1.00 0.00 C ATOM 243 C LEU A 20 3.145 -13.084 3.219 1.00 0.00 C ATOM 244 O LEU A 20 4.022 -13.521 3.964 1.00 0.00 O ATOM 245 CB LEU A 20 3.284 -10.684 3.913 1.00 0.00 C ATOM 246 CG LEU A 20 4.335 -10.373 2.848 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.685 -10.230 1.481 1.00 0.00 C ATOM 248 CD2 LEU A 20 5.103 -9.109 3.210 1.00 0.00 C ATOM 0 H LEU A 20 1.981 -12.426 5.588 1.00 0.00 H new ATOM 0 HA LEU A 20 1.702 -11.575 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.685 -9.788 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.798 -10.899 4.850 1.00 0.00 H new ATOM 0 HG LEU A 20 5.039 -11.204 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.449 -10.009 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.181 -11.160 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.958 -9.418 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.847 -8.903 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.411 -8.270 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.602 -9.248 4.169 1.00 0.00 H new ATOM 260 N GLN A 21 2.844 -13.641 2.051 1.00 0.00 N ATOM 261 CA GLN A 21 3.542 -14.826 1.567 1.00 0.00 C ATOM 262 C GLN A 21 5.025 -14.537 1.359 1.00 0.00 C ATOM 263 O GLN A 21 5.396 -13.740 0.498 1.00 0.00 O ATOM 264 CB GLN A 21 2.917 -15.314 0.259 1.00 0.00 C ATOM 265 CG GLN A 21 3.110 -16.801 0.010 1.00 0.00 C ATOM 266 CD GLN A 21 2.333 -17.297 -1.194 1.00 0.00 C ATOM 267 OE1 GLN A 21 2.910 -17.587 -2.242 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.017 -17.397 -1.049 1.00 0.00 N ATOM 0 H GLN A 21 2.121 -13.291 1.422 1.00 0.00 H new ATOM 0 HA GLN A 21 3.445 -15.607 2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.850 -15.092 0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.350 -14.756 -0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.170 -17.006 -0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.797 -17.357 0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.581 -17.146 -0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.442 -17.725 -1.825 1.00 0.00 H new ATOM 413 N TRP A 30 2.944 -19.016 4.716 1.00 0.00 N ATOM 414 CA TRP A 30 2.333 -17.735 5.051 1.00 0.00 C ATOM 415 C TRP A 30 2.945 -17.156 6.322 1.00 0.00 C ATOM 416 O TRP A 30 3.400 -17.895 7.195 1.00 0.00 O ATOM 417 CB TRP A 30 0.822 -17.897 5.226 1.00 0.00 C ATOM 418 CG TRP A 30 0.082 -18.005 3.928 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.465 -19.133 3.387 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.191 -16.943 3.006 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.061 -18.838 2.185 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.908 -17.501 1.929 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.098 -15.576 2.987 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.336 -16.737 0.846 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.328 -14.820 1.912 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.039 -15.402 0.854 1.00 0.00 C ATOM 0 HA TRP A 30 2.524 -17.044 4.230 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.626 -18.788 5.823 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.435 -17.046 5.787 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.434 -20.114 3.838 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.540 -19.506 1.581 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.645 -15.119 3.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.883 -17.183 0.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.109 -13.763 1.887 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.359 -14.784 0.028 1.00 0.00 H new ATOM 437 N ARG A 31 2.952 -15.830 6.419 1.00 0.00 N ATOM 438 CA ARG A 31 3.510 -15.153 7.583 1.00 0.00 C ATOM 439 C ARG A 31 2.645 -13.961 7.984 1.00 0.00 C ATOM 440 O ARG A 31 2.463 -13.024 7.207 1.00 0.00 O ATOM 441 CB ARG A 31 4.938 -14.686 7.294 1.00 0.00 C ATOM 442 CG ARG A 31 5.910 -15.826 7.034 1.00 0.00 C ATOM 443 CD ARG A 31 6.247 -16.573 8.314 1.00 0.00 C ATOM 444 NE ARG A 31 7.505 -17.307 8.205 1.00 0.00 N ATOM 445 CZ ARG A 31 8.184 -17.762 9.252 1.00 0.00 C ATOM 446 NH1 ARG A 31 7.728 -17.560 10.480 1.00 0.00 N ATOM 447 NH2 ARG A 31 9.322 -18.421 9.071 1.00 0.00 N ATOM 0 H ARG A 31 2.578 -15.204 5.706 1.00 0.00 H new ATOM 0 HA ARG A 31 3.528 -15.863 8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.927 -14.024 6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.297 -14.099 8.139 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.477 -16.517 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.824 -15.432 6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.311 -15.865 9.141 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.441 -17.268 8.551 1.00 0.00 H new ATOM 0 HE ARG A 31 7.883 -17.480 7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.854 -17.054 10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.251 -17.910 11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.676 -18.578 8.127 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.843 -18.770 9.876 1.00 0.00 H new ATOM 461 N ARG A 32 2.116 -14.004 9.203 1.00 0.00 N ATOM 462 CA ARG A 32 1.269 -12.929 9.706 1.00 0.00 C ATOM 463 C ARG A 32 2.102 -11.875 10.429 1.00 0.00 C ATOM 464 O ARG A 32 3.152 -12.179 10.996 1.00 0.00 O ATOM 465 CB ARG A 32 0.204 -13.489 10.650 1.00 0.00 C ATOM 466 CG ARG A 32 0.739 -13.849 12.027 1.00 0.00 C ATOM 467 CD ARG A 32 -0.064 -14.975 12.660 1.00 0.00 C ATOM 468 NE ARG A 32 0.448 -16.290 12.285 1.00 0.00 N ATOM 469 CZ ARG A 32 -0.190 -17.427 12.540 1.00 0.00 C ATOM 470 NH1 ARG A 32 -1.359 -17.409 13.167 1.00 0.00 N ATOM 471 NH2 ARG A 32 0.340 -18.585 12.168 1.00 0.00 N ATOM 0 H ARG A 32 2.259 -14.771 9.860 1.00 0.00 H new ATOM 0 HA ARG A 32 0.778 -12.458 8.854 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.594 -12.755 10.760 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.239 -14.376 10.198 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.784 -14.147 11.946 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.707 -12.971 12.672 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.039 -14.872 13.745 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.107 -14.892 12.355 1.00 0.00 H new ATOM 0 HE ARG A 32 1.344 -16.338 11.801 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.770 -16.521 13.454 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.847 -18.283 13.362 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.239 -18.603 11.686 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.151 -19.457 12.365 1.00 0.00 H new ATOM 485 N PHE A 33 1.627 -10.634 10.406 1.00 0.00 N ATOM 486 CA PHE A 33 2.328 -9.534 11.058 1.00 0.00 C ATOM 487 C PHE A 33 1.346 -8.464 11.527 1.00 0.00 C ATOM 488 O PHE A 33 0.235 -8.357 11.009 1.00 0.00 O ATOM 489 CB PHE A 33 3.354 -8.918 10.105 1.00 0.00 C ATOM 490 CG PHE A 33 4.356 -9.908 9.583 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.348 -10.411 10.410 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.308 -10.334 8.265 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.272 -11.321 9.933 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.229 -11.244 7.783 1.00 0.00 C ATOM 495 CZ PHE A 33 6.213 -11.738 8.617 1.00 0.00 C ATOM 0 H PHE A 33 0.759 -10.365 9.943 1.00 0.00 H new ATOM 0 HA PHE A 33 2.846 -9.933 11.930 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.830 -8.465 9.263 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.882 -8.116 10.621 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.399 -10.088 11.439 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.542 -9.950 7.607 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.040 -11.706 10.588 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.180 -11.569 6.754 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.935 -12.448 8.241 1.00 0.00 H new ATOM 505 N GLY A 34 1.765 -7.674 12.510 1.00 0.00 N ATOM 506 CA GLY A 34 0.911 -6.624 13.033 1.00 0.00 C ATOM 507 C GLY A 34 0.705 -5.497 12.041 1.00 0.00 C ATOM 508 O GLY A 34 1.593 -4.670 11.836 1.00 0.00 O ATOM 0 H GLY A 34 2.681 -7.742 12.954 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.056 -7.047 13.303 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.350 -6.224 13.947 1.00 0.00 H new ATOM 512 N ALA A 35 -0.470 -5.464 11.421 1.00 0.00 N ATOM 513 CA ALA A 35 -0.790 -4.429 10.445 1.00 0.00 C ATOM 514 C ALA A 35 -1.625 -3.320 11.074 1.00 0.00 C ATOM 515 O ALA A 35 -2.461 -3.574 11.941 1.00 0.00 O ATOM 516 CB ALA A 35 -1.523 -5.034 9.256 1.00 0.00 C ATOM 0 H ALA A 35 -1.216 -6.142 11.577 1.00 0.00 H new ATOM 0 HA ALA A 35 0.145 -3.991 10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.756 -4.250 8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.891 -5.786 8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.448 -5.500 9.597 1.00 0.00 H new ATOM 522 N SER A 36 -1.393 -2.088 10.633 1.00 0.00 N ATOM 523 CA SER A 36 -2.121 -0.938 11.157 1.00 0.00 C ATOM 524 C SER A 36 -2.535 0.003 10.029 1.00 0.00 C ATOM 525 O SER A 36 -1.700 0.453 9.243 1.00 0.00 O ATOM 526 CB SER A 36 -1.263 -0.185 12.175 1.00 0.00 C ATOM 527 OG SER A 36 -0.790 -1.057 13.188 1.00 0.00 O ATOM 0 H SER A 36 -0.706 -1.860 9.914 1.00 0.00 H new ATOM 0 HA SER A 36 -3.021 -1.304 11.651 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.418 0.282 11.669 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.847 0.617 12.625 1.00 0.00 H new ATOM 0 HG SER A 36 -0.243 -0.552 13.825 1.00 0.00 H new ATOM 533 N LEU A 37 -3.828 0.296 9.957 1.00 0.00 N ATOM 534 CA LEU A 37 -4.355 1.184 8.926 1.00 0.00 C ATOM 535 C LEU A 37 -4.477 2.612 9.447 1.00 0.00 C ATOM 536 O LEU A 37 -5.295 2.897 10.322 1.00 0.00 O ATOM 537 CB LEU A 37 -5.719 0.686 8.445 1.00 0.00 C ATOM 538 CG LEU A 37 -6.327 1.436 7.259 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.587 1.094 5.975 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.808 1.112 7.126 1.00 0.00 C ATOM 0 H LEU A 37 -4.531 -0.068 10.600 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.658 1.181 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.625 -0.366 8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.418 0.739 9.280 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.224 2.506 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.034 1.637 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.539 1.377 6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.657 0.022 5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.224 1.654 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.933 0.041 6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.329 1.409 8.037 1.00 0.00 H new ATOM 552 N TYR A 38 -3.660 3.507 8.903 1.00 0.00 N ATOM 553 CA TYR A 38 -3.676 4.906 9.314 1.00 0.00 C ATOM 554 C TYR A 38 -4.273 5.788 8.221 1.00 0.00 C ATOM 555 O TYR A 38 -4.280 5.421 7.046 1.00 0.00 O ATOM 556 CB TYR A 38 -2.260 5.378 9.648 1.00 0.00 C ATOM 557 CG TYR A 38 -1.612 4.601 10.772 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.984 4.814 12.094 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.628 3.656 10.513 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.395 4.107 13.124 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.034 2.943 11.536 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.421 3.173 12.840 1.00 0.00 C ATOM 563 OH TYR A 38 0.169 2.466 13.863 1.00 0.00 O ATOM 0 H TYR A 38 -2.978 3.289 8.176 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.299 4.989 10.204 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.639 5.296 8.756 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.292 6.433 9.919 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.747 5.545 12.320 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.322 3.475 9.493 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.696 4.285 14.146 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.728 2.210 11.316 1.00 0.00 H new ATOM 0 HH TYR A 38 0.834 1.848 13.493 1.00 0.00 H new ATOM 573 N GLY A 39 -4.774 6.954 8.618 1.00 0.00 N ATOM 574 CA GLY A 39 -5.366 7.871 7.661 1.00 0.00 C ATOM 575 C GLY A 39 -6.779 8.268 8.038 1.00 0.00 C ATOM 576 O GLY A 39 -7.038 8.670 9.172 1.00 0.00 O ATOM 0 H GLY A 39 -4.781 7.280 9.585 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.747 8.766 7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.373 7.408 6.674 1.00 0.00 H new ATOM 650 N ALA A 46 -1.685 8.425 5.460 1.00 0.00 N ATOM 651 CA ALA A 46 -2.346 7.192 5.054 1.00 0.00 C ATOM 652 C ALA A 46 -1.343 6.190 4.492 1.00 0.00 C ATOM 653 O ALA A 46 -0.713 6.439 3.464 1.00 0.00 O ATOM 654 CB ALA A 46 -3.431 7.487 4.028 1.00 0.00 C ATOM 0 HA ALA A 46 -2.807 6.749 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.916 6.556 3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.170 8.160 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.985 7.956 3.151 1.00 0.00 H new ATOM 660 N ARG A 47 -1.198 5.059 5.174 1.00 0.00 N ATOM 661 CA ARG A 47 -0.269 4.021 4.743 1.00 0.00 C ATOM 662 C ARG A 47 -0.428 2.763 5.593 1.00 0.00 C ATOM 663 O ARG A 47 -0.936 2.818 6.713 1.00 0.00 O ATOM 664 CB ARG A 47 1.171 4.529 4.829 1.00 0.00 C ATOM 665 CG ARG A 47 1.584 4.959 6.227 1.00 0.00 C ATOM 666 CD ARG A 47 2.772 5.906 6.191 1.00 0.00 C ATOM 667 NE ARG A 47 3.219 6.277 7.531 1.00 0.00 N ATOM 668 CZ ARG A 47 4.282 7.037 7.768 1.00 0.00 C ATOM 669 NH1 ARG A 47 5.003 7.506 6.759 1.00 0.00 N ATOM 670 NH2 ARG A 47 4.624 7.330 9.016 1.00 0.00 N ATOM 0 H ARG A 47 -1.712 4.838 6.027 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.497 3.770 3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.845 3.744 4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.291 5.372 4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.744 5.446 6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.836 4.080 6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.594 5.435 5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.502 6.805 5.637 1.00 0.00 H new ATOM 0 HE ARG A 47 2.685 5.933 8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.742 7.283 5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.819 8.090 6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.070 6.971 9.794 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.441 7.914 9.197 1.00 0.00 H new ATOM 684 N LEU A 48 0.010 1.632 5.052 1.00 0.00 N ATOM 685 CA LEU A 48 -0.083 0.359 5.759 1.00 0.00 C ATOM 686 C LEU A 48 1.253 -0.008 6.398 1.00 0.00 C ATOM 687 O LEU A 48 2.212 -0.341 5.703 1.00 0.00 O ATOM 688 CB LEU A 48 -0.525 -0.748 4.801 1.00 0.00 C ATOM 689 CG LEU A 48 -1.330 -1.891 5.421 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.601 -1.360 6.067 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.662 -2.941 4.371 1.00 0.00 C ATOM 0 H LEU A 48 0.433 1.570 4.126 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.826 0.464 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.123 -0.298 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.363 -1.170 4.330 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.722 -2.360 6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.161 -2.188 6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.341 -0.646 6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.213 -0.865 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.235 -3.746 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.250 -2.486 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.739 -3.344 3.955 1.00 0.00 H new ATOM 703 N GLU A 49 1.305 0.053 7.725 1.00 0.00 N ATOM 704 CA GLU A 49 2.523 -0.274 8.456 1.00 0.00 C ATOM 705 C GLU A 49 2.552 -1.754 8.830 1.00 0.00 C ATOM 706 O GLU A 49 1.515 -2.355 9.112 1.00 0.00 O ATOM 707 CB GLU A 49 2.634 0.584 9.718 1.00 0.00 C ATOM 708 CG GLU A 49 3.155 1.987 9.456 1.00 0.00 C ATOM 709 CD GLU A 49 4.642 2.012 9.163 1.00 0.00 C ATOM 710 OE1 GLU A 49 5.327 1.019 9.488 1.00 0.00 O ATOM 711 OE2 GLU A 49 5.122 3.023 8.610 1.00 0.00 O ATOM 0 H GLU A 49 0.519 0.326 8.315 1.00 0.00 H new ATOM 0 HA GLU A 49 3.373 -0.064 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.653 0.652 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.295 0.087 10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.615 2.419 8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.949 2.615 10.323 1.00 0.00 H new ATOM 718 N LEU A 50 3.747 -2.334 8.829 1.00 0.00 N ATOM 719 CA LEU A 50 3.913 -3.744 9.167 1.00 0.00 C ATOM 720 C LEU A 50 5.007 -3.928 10.214 1.00 0.00 C ATOM 721 O LEU A 50 5.938 -3.127 10.298 1.00 0.00 O ATOM 722 CB LEU A 50 4.249 -4.553 7.914 1.00 0.00 C ATOM 723 CG LEU A 50 3.247 -4.456 6.763 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.858 -4.989 5.476 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.970 -5.211 7.102 1.00 0.00 C ATOM 0 H LEU A 50 4.615 -1.851 8.598 1.00 0.00 H new ATOM 0 HA LEU A 50 2.973 -4.105 9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.224 -4.231 7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.346 -5.601 8.198 1.00 0.00 H new ATOM 0 HG LEU A 50 2.996 -3.406 6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.130 -4.912 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.743 -4.405 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.139 -6.033 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.269 -5.131 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.204 -6.261 7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.521 -4.783 7.998 1.00 0.00 H new ATOM 737 N GLN A 51 4.888 -4.987 11.007 1.00 0.00 N ATOM 738 CA GLN A 51 5.868 -5.276 12.047 1.00 0.00 C ATOM 739 C GLN A 51 6.297 -6.739 12.000 1.00 0.00 C ATOM 740 O GLN A 51 5.525 -7.633 12.348 1.00 0.00 O ATOM 741 CB GLN A 51 5.294 -4.945 13.425 1.00 0.00 C ATOM 742 CG GLN A 51 5.003 -3.466 13.624 1.00 0.00 C ATOM 743 CD GLN A 51 5.142 -3.033 15.070 1.00 0.00 C ATOM 744 OE1 GLN A 51 4.149 -2.875 15.781 1.00 0.00 O ATOM 745 NE2 GLN A 51 6.378 -2.840 15.515 1.00 0.00 N ATOM 0 H GLN A 51 4.123 -5.659 10.949 1.00 0.00 H new ATOM 0 HA GLN A 51 6.744 -4.653 11.867 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.374 -5.511 13.571 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.996 -5.275 14.191 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.683 -2.880 13.006 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.992 -3.249 13.279 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.173 -2.982 14.891 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.533 -2.549 16.480 1.00 0.00 H new ATOM 959 N LYS A 65 8.668 -2.542 7.744 1.00 0.00 N ATOM 960 CA LYS A 65 8.201 -2.523 6.363 1.00 0.00 C ATOM 961 C LYS A 65 6.868 -1.790 6.249 1.00 0.00 C ATOM 962 O LYS A 65 5.855 -2.236 6.788 1.00 0.00 O ATOM 963 CB LYS A 65 8.057 -3.951 5.832 1.00 0.00 C ATOM 964 CG LYS A 65 8.138 -4.049 4.318 1.00 0.00 C ATOM 965 CD LYS A 65 7.448 -5.300 3.802 1.00 0.00 C ATOM 966 CE LYS A 65 8.407 -6.478 3.733 1.00 0.00 C ATOM 967 NZ LYS A 65 9.262 -6.426 2.515 1.00 0.00 N ATOM 0 HA LYS A 65 8.940 -1.992 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.838 -4.573 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.102 -4.358 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.678 -3.168 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.183 -4.055 4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.610 -5.549 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.036 -5.107 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.039 -6.484 4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.840 -7.409 3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.902 -7.246 2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.660 -6.446 1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.822 -5.550 2.521 1.00 0.00 H new ATOM 981 N VAL A 66 6.875 -0.664 5.544 1.00 0.00 N ATOM 982 CA VAL A 66 5.666 0.129 5.357 1.00 0.00 C ATOM 983 C VAL A 66 5.363 0.329 3.877 1.00 0.00 C ATOM 984 O VAL A 66 6.264 0.583 3.077 1.00 0.00 O ATOM 985 CB VAL A 66 5.789 1.507 6.036 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.739 2.403 5.257 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.420 2.157 6.171 1.00 0.00 C ATOM 0 H VAL A 66 7.705 -0.280 5.092 1.00 0.00 H new ATOM 0 HA VAL A 66 4.849 -0.425 5.820 1.00 0.00 H new ATOM 0 HB VAL A 66 6.200 1.365 7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.813 3.372 5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.725 1.940 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.361 2.541 4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.525 3.129 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.980 2.287 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.773 1.521 6.775 1.00 0.00 H new ATOM 997 N ILE A 67 4.089 0.214 3.519 1.00 0.00 N ATOM 998 CA ILE A 67 3.666 0.384 2.134 1.00 0.00 C ATOM 999 C ILE A 67 2.540 1.406 2.025 1.00 0.00 C ATOM 1000 O ILE A 67 1.371 1.080 2.232 1.00 0.00 O ATOM 1001 CB ILE A 67 3.197 -0.948 1.521 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.287 -2.013 1.666 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.827 -0.757 0.058 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.745 -3.422 1.765 1.00 0.00 C ATOM 0 H ILE A 67 3.331 0.004 4.169 1.00 0.00 H new ATOM 0 HA ILE A 67 4.534 0.743 1.581 1.00 0.00 H new ATOM 0 HB ILE A 67 2.311 -1.286 2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.961 -1.951 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.879 -1.797 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.497 -1.708 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.022 -0.027 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.696 -0.399 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.573 -4.124 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.094 -3.501 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.177 -3.657 0.865 1.00 0.00 H new ATOM 1016 N ARG A 68 2.899 2.642 1.695 1.00 0.00 N ATOM 1017 CA ARG A 68 1.918 3.712 1.557 1.00 0.00 C ATOM 1018 C ARG A 68 0.814 3.314 0.582 1.00 0.00 C ATOM 1019 O ARG A 68 1.080 2.737 -0.473 1.00 0.00 O ATOM 1020 CB ARG A 68 2.597 4.997 1.078 1.00 0.00 C ATOM 1021 CG ARG A 68 3.576 5.579 2.085 1.00 0.00 C ATOM 1022 CD ARG A 68 4.189 6.876 1.579 1.00 0.00 C ATOM 1023 NE ARG A 68 3.315 8.022 1.814 1.00 0.00 N ATOM 1024 CZ ARG A 68 3.735 9.283 1.796 1.00 0.00 C ATOM 1025 NH1 ARG A 68 5.010 9.557 1.555 1.00 0.00 N ATOM 1026 NH2 ARG A 68 2.879 10.272 2.019 1.00 0.00 N ATOM 0 H ARG A 68 3.862 2.928 1.518 1.00 0.00 H new ATOM 0 HA ARG A 68 1.470 3.889 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.125 4.794 0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.832 5.741 0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.063 5.762 3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.366 4.856 2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.146 7.042 2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.393 6.788 0.512 1.00 0.00 H new ATOM 0 HE ARG A 68 2.328 7.845 2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.671 8.799 1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.330 10.525 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.898 10.065 2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.202 11.239 2.005 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.426 3.626 0.942 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.572 3.301 0.100 1.00 0.00 C ATOM 1042 C LEU A 69 -1.553 4.120 -1.186 1.00 0.00 C ATOM 1043 O LEU A 69 -2.293 3.835 -2.127 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.876 3.553 0.860 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.136 2.649 2.065 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.357 3.126 2.836 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.315 1.205 1.620 1.00 0.00 C ATOM 0 H LEU A 69 -0.664 4.104 1.811 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.510 2.245 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.880 4.589 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.707 3.443 0.163 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.271 2.700 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.527 2.471 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.191 4.144 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.230 3.105 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.499 0.576 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.162 1.137 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.412 0.866 1.112 1.00 0.00 H new ATOM 1059 N SER A 70 -0.699 5.139 -1.220 1.00 0.00 N ATOM 1060 CA SER A 70 -0.584 6.001 -2.390 1.00 0.00 C ATOM 1061 C SER A 70 0.203 5.309 -3.499 1.00 0.00 C ATOM 1062 O SER A 70 0.019 5.600 -4.681 1.00 0.00 O ATOM 1063 CB SER A 70 0.095 7.319 -2.013 1.00 0.00 C ATOM 1064 OG SER A 70 1.478 7.131 -1.773 1.00 0.00 O ATOM 0 H SER A 70 -0.077 5.387 -0.451 1.00 0.00 H new ATOM 0 HA SER A 70 -1.589 6.210 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.043 8.045 -2.815 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.378 7.734 -1.123 1.00 0.00 H new ATOM 0 HG SER A 70 1.888 7.989 -1.536 1.00 0.00 H new ATOM 1070 N ASP A 71 1.082 4.392 -3.108 1.00 0.00 N ATOM 1071 CA ASP A 71 1.898 3.658 -4.068 1.00 0.00 C ATOM 1072 C ASP A 71 1.084 2.558 -4.743 1.00 0.00 C ATOM 1073 O ASP A 71 1.393 2.140 -5.860 1.00 0.00 O ATOM 1074 CB ASP A 71 3.119 3.053 -3.374 1.00 0.00 C ATOM 1075 CG ASP A 71 4.239 4.059 -3.194 1.00 0.00 C ATOM 1076 OD1 ASP A 71 3.942 5.268 -3.106 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.414 3.637 -3.141 1.00 0.00 O ATOM 0 H ASP A 71 1.247 4.140 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 71 2.234 4.358 -4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.824 2.664 -2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.484 2.208 -3.958 1.00 0.00 H new ATOM 1082 N CYS A 72 0.046 2.092 -4.058 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.811 1.038 -4.590 1.00 0.00 C ATOM 1084 C CYS A 72 -1.392 1.441 -5.941 1.00 0.00 C ATOM 1085 O CYS A 72 -2.327 2.239 -6.014 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.941 0.726 -3.608 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.374 0.202 -1.973 1.00 0.00 S ATOM 0 H CYS A 72 -0.223 2.427 -3.133 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.203 0.144 -4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.567 1.612 -3.497 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.570 -0.057 -4.031 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.402 -0.037 -1.213 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.831 0.885 -7.010 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.293 1.187 -8.360 1.00 0.00 C ATOM 1095 C LEU A 73 -2.703 0.653 -8.586 1.00 0.00 C ATOM 1096 O LEU A 73 -3.524 1.297 -9.241 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.336 0.588 -9.393 1.00 0.00 C ATOM 1098 CG LEU A 73 1.116 1.061 -9.317 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.042 0.048 -9.973 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.267 2.426 -9.972 1.00 0.00 C ATOM 0 H LEU A 73 -0.056 0.223 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.313 2.271 -8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.350 -0.497 -9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.719 0.815 -10.388 1.00 0.00 H new ATOM 0 HG LEU A 73 1.394 1.151 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.071 0.401 -9.909 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.955 -0.910 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.764 -0.074 -11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.307 2.747 -9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.970 2.362 -11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.632 3.148 -9.458 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.979 -0.526 -8.038 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.291 -1.146 -8.179 1.00 0.00 C ATOM 1114 C ARG A 74 -4.438 -2.328 -7.226 1.00 0.00 C ATOM 1115 O ARG A 74 -3.469 -3.028 -6.933 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.507 -1.610 -9.621 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.953 -1.950 -9.941 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.741 -0.713 -10.342 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.314 -0.187 -11.636 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.746 0.963 -12.140 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.612 1.704 -11.464 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -6.311 1.374 -13.325 1.00 0.00 N ATOM 0 H ARG A 74 -2.311 -1.071 -7.492 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.046 -0.402 -7.927 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.168 -0.828 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.886 -2.486 -9.809 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.986 -2.681 -10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.420 -2.414 -9.072 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.803 -0.957 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.620 0.057 -9.580 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.648 -0.733 -12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.949 1.392 -10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.942 2.587 -11.854 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.645 0.806 -13.849 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.643 2.257 -13.712 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.658 -2.545 -6.744 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.934 -3.642 -5.824 1.00 0.00 C ATOM 1138 C VAL A 75 -7.226 -4.359 -6.196 1.00 0.00 C ATOM 1139 O VAL A 75 -8.118 -3.774 -6.810 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.036 -3.143 -4.370 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -4.851 -2.254 -4.027 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.348 -2.406 -4.151 1.00 0.00 C ATOM 0 H VAL A 75 -6.471 -1.975 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.100 -4.339 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.016 -4.006 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.940 -1.911 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.926 -2.820 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.836 -1.393 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.403 -2.060 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.401 -1.550 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.181 -3.079 -4.354 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.321 -5.630 -5.819 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.506 -6.427 -6.110 1.00 0.00 C ATOM 1154 C ALA A 76 -8.878 -7.311 -4.924 1.00 0.00 C ATOM 1155 O ALA A 76 -8.172 -7.343 -3.917 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.280 -7.275 -7.353 1.00 0.00 C ATOM 0 H ALA A 76 -6.591 -6.130 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.336 -5.745 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.173 -7.865 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.071 -6.626 -8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.434 -7.943 -7.189 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.990 -8.028 -5.052 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.455 -8.911 -3.990 1.00 0.00 C ATOM 1164 C GLU A 77 -10.488 -10.362 -4.463 1.00 0.00 C ATOM 1165 O GLU A 77 -11.249 -10.714 -5.364 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.847 -8.487 -3.515 1.00 0.00 C ATOM 1167 CG GLU A 77 -11.980 -6.991 -3.281 1.00 0.00 C ATOM 1168 CD GLU A 77 -12.346 -6.234 -4.543 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -13.303 -6.650 -5.229 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -11.674 -5.225 -4.845 1.00 0.00 O ATOM 0 H GLU A 77 -10.585 -8.014 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.756 -8.834 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.585 -8.798 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.082 -9.013 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.740 -6.812 -2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.040 -6.603 -2.889 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.657 -11.197 -3.849 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.592 -12.609 -4.206 1.00 0.00 C ATOM 1179 C ALA A 78 -10.179 -13.482 -3.103 1.00 0.00 C ATOM 1180 O ALA A 78 -10.678 -12.978 -2.098 1.00 0.00 O ATOM 1181 CB ALA A 78 -8.154 -13.014 -4.493 1.00 0.00 C ATOM 0 H ALA A 78 -9.020 -10.921 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.187 -12.759 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.120 -14.071 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.767 -12.419 -5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.544 -12.843 -3.606 1.00 0.00 H new ATOM 1286 N ASP A 87 -12.146 -20.620 3.955 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.642 -19.957 5.156 1.00 0.00 C ATOM 1288 C ASP A 87 -12.177 -18.505 5.206 1.00 0.00 C ATOM 1289 O ASP A 87 -12.741 -17.686 5.932 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.170 -20.700 6.406 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.125 -21.802 6.820 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -13.884 -22.285 5.954 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.114 -22.182 8.010 1.00 0.00 O ATOM 0 HA ASP A 87 -13.731 -19.970 5.125 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.185 -21.128 6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.060 -19.991 7.227 1.00 0.00 H new ATOM 1298 N THR A 88 -11.144 -18.192 4.430 1.00 0.00 N ATOM 1299 CA THR A 88 -10.602 -16.840 4.387 1.00 0.00 C ATOM 1300 C THR A 88 -10.700 -16.252 2.984 1.00 0.00 C ATOM 1301 O THR A 88 -11.088 -16.939 2.039 1.00 0.00 O ATOM 1302 CB THR A 88 -9.131 -16.810 4.843 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.330 -17.609 3.965 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.996 -17.322 6.269 1.00 0.00 C ATOM 0 H THR A 88 -10.666 -18.857 3.822 1.00 0.00 H new ATOM 0 HA THR A 88 -11.199 -16.238 5.072 1.00 0.00 H new ATOM 0 HB THR A 88 -8.784 -15.777 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.396 -17.584 4.260 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.949 -17.291 6.569 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.584 -16.694 6.938 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.359 -18.348 6.323 1.00 0.00 H new ATOM 1312 N SER A 89 -10.345 -14.978 2.855 1.00 0.00 N ATOM 1313 CA SER A 89 -10.396 -14.297 1.566 1.00 0.00 C ATOM 1314 C SER A 89 -9.144 -13.451 1.349 1.00 0.00 C ATOM 1315 O SER A 89 -8.912 -12.473 2.058 1.00 0.00 O ATOM 1316 CB SER A 89 -11.642 -13.415 1.481 1.00 0.00 C ATOM 1317 OG SER A 89 -12.824 -14.193 1.558 1.00 0.00 O ATOM 0 H SER A 89 -10.019 -14.396 3.627 1.00 0.00 H new ATOM 0 HA SER A 89 -10.442 -15.055 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.630 -12.685 2.290 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.632 -12.855 0.546 1.00 0.00 H new ATOM 0 HG SER A 89 -13.606 -13.606 1.503 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.341 -13.837 0.363 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.115 -13.114 0.050 1.00 0.00 C ATOM 1325 C ALA A 90 -7.391 -11.945 -0.888 1.00 0.00 C ATOM 1326 O ALA A 90 -8.350 -11.967 -1.659 1.00 0.00 O ATOM 1327 CB ALA A 90 -6.089 -14.056 -0.564 1.00 0.00 C ATOM 0 H ALA A 90 -8.518 -14.646 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.712 -12.712 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.178 -13.503 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.861 -14.855 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.492 -14.486 -1.481 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.544 -10.923 -0.818 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.699 -9.742 -1.660 1.00 0.00 C ATOM 1335 C PHE A 91 -5.413 -9.450 -2.428 1.00 0.00 C ATOM 1336 O PHE A 91 -4.325 -9.851 -2.014 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.085 -8.530 -0.811 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.035 -8.140 0.190 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.899 -8.839 1.379 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.185 -7.075 -0.058 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.934 -8.482 2.301 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.218 -6.713 0.861 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.092 -7.418 2.042 1.00 0.00 C ATOM 0 H PHE A 91 -5.743 -10.889 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.494 -9.941 -2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.281 -7.683 -1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.015 -8.746 -0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.554 -9.672 1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.279 -6.521 -0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.838 -9.035 3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.562 -5.880 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.337 -7.138 2.761 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.546 -8.749 -3.549 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.396 -8.404 -4.376 1.00 0.00 C ATOM 1355 C PHE A 92 -3.842 -7.035 -3.994 1.00 0.00 C ATOM 1356 O PHE A 92 -4.543 -6.211 -3.405 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.784 -8.414 -5.856 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.728 -9.779 -6.481 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.514 -10.343 -6.837 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.890 -10.498 -6.712 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.460 -11.598 -7.413 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -5.842 -11.754 -7.287 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.625 -12.305 -7.637 1.00 0.00 C ATOM 0 H PHE A 92 -6.439 -8.409 -3.906 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.621 -9.151 -4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.793 -8.016 -5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.119 -7.745 -6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.599 -9.796 -6.662 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.844 -10.072 -6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.507 -12.026 -7.688 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.755 -12.304 -7.462 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.584 -13.287 -8.085 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.579 -6.799 -4.331 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.929 -5.529 -4.023 1.00 0.00 C ATOM 1375 C LEU A 93 -0.741 -5.288 -4.949 1.00 0.00 C ATOM 1376 O LEU A 93 0.302 -5.927 -4.815 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.467 -5.511 -2.565 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.394 -4.136 -1.901 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.802 -4.248 -0.505 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.577 -3.175 -2.753 1.00 0.00 C ATOM 0 H LEU A 93 -1.984 -7.470 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.654 -4.730 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.143 -6.138 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.480 -5.971 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.407 -3.742 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.758 -3.259 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.427 -4.902 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.204 -4.663 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.536 -2.201 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.434 -3.564 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.044 -3.070 -3.733 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.906 -4.359 -5.886 1.00 0.00 N ATOM 1393 CA GLU A 94 0.154 -4.032 -6.832 1.00 0.00 C ATOM 1394 C GLU A 94 0.753 -2.663 -6.526 1.00 0.00 C ATOM 1395 O GLU A 94 0.044 -1.657 -6.480 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.385 -4.057 -8.264 1.00 0.00 C ATOM 1397 CG GLU A 94 0.704 -4.046 -9.324 1.00 0.00 C ATOM 1398 CD GLU A 94 0.149 -3.907 -10.728 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.479 -4.869 -11.217 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.343 -2.834 -11.339 1.00 0.00 O ATOM 0 H GLU A 94 -1.763 -3.820 -6.010 1.00 0.00 H new ATOM 0 HA GLU A 94 0.938 -4.782 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.000 -4.947 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.035 -3.195 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.391 -3.223 -9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.282 -4.967 -9.255 1.00 0.00 H new ATOM 1407 N THR A 95 2.066 -2.631 -6.317 1.00 0.00 N ATOM 1408 CA THR A 95 2.761 -1.387 -6.013 1.00 0.00 C ATOM 1409 C THR A 95 3.883 -1.127 -7.012 1.00 0.00 C ATOM 1410 O THR A 95 4.173 -1.962 -7.868 1.00 0.00 O ATOM 1411 CB THR A 95 3.351 -1.405 -4.590 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.389 -2.387 -4.503 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.271 -1.709 -3.562 1.00 0.00 C ATOM 0 H THR A 95 2.669 -3.453 -6.353 1.00 0.00 H new ATOM 0 HA THR A 95 2.023 -0.588 -6.082 1.00 0.00 H new ATOM 0 HB THR A 95 3.766 -0.419 -4.379 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.099 -3.210 -4.949 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.710 -1.717 -2.564 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.496 -0.944 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.832 -2.684 -3.773 1.00 0.00 H new ATOM 1421 N LYS A 96 4.513 0.038 -6.897 1.00 0.00 N ATOM 1422 CA LYS A 96 5.606 0.408 -7.788 1.00 0.00 C ATOM 1423 C LYS A 96 6.744 -0.603 -7.703 1.00 0.00 C ATOM 1424 O LYS A 96 7.404 -0.893 -8.701 1.00 0.00 O ATOM 1425 CB LYS A 96 6.124 1.806 -7.440 1.00 0.00 C ATOM 1426 CG LYS A 96 5.257 2.928 -7.984 1.00 0.00 C ATOM 1427 CD LYS A 96 5.682 3.331 -9.386 1.00 0.00 C ATOM 1428 CE LYS A 96 5.082 4.671 -9.786 1.00 0.00 C ATOM 1429 NZ LYS A 96 5.513 5.085 -11.151 1.00 0.00 N ATOM 0 H LYS A 96 4.285 0.742 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 96 5.224 0.412 -8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.189 1.901 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.135 1.917 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.214 2.610 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.320 3.791 -7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.769 3.389 -9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.371 2.565 -10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.994 4.607 -9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.379 5.432 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.084 6.002 -11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.549 5.171 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.207 4.371 -11.843 1.00 0.00 H new ATOM 1443 N GLU A 97 6.968 -1.137 -6.506 1.00 0.00 N ATOM 1444 CA GLU A 97 8.027 -2.116 -6.293 1.00 0.00 C ATOM 1445 C GLU A 97 7.678 -3.447 -6.953 1.00 0.00 C ATOM 1446 O GLU A 97 8.337 -3.874 -7.901 1.00 0.00 O ATOM 1447 CB GLU A 97 8.266 -2.324 -4.796 1.00 0.00 C ATOM 1448 CG GLU A 97 9.008 -1.175 -4.133 1.00 0.00 C ATOM 1449 CD GLU A 97 8.149 0.065 -3.984 1.00 0.00 C ATOM 1450 OE1 GLU A 97 6.908 -0.074 -3.951 1.00 0.00 O ATOM 1451 OE2 GLU A 97 8.716 1.174 -3.899 1.00 0.00 O ATOM 0 H GLU A 97 6.430 -0.908 -5.670 1.00 0.00 H new ATOM 0 HA GLU A 97 8.939 -1.732 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.306 -2.460 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.833 -3.243 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.356 -1.491 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.893 -0.931 -4.721 1.00 0.00 H new ATOM 1458 N ARG A 98 6.637 -4.098 -6.444 1.00 0.00 N ATOM 1459 CA ARG A 98 6.200 -5.381 -6.982 1.00 0.00 C ATOM 1460 C ARG A 98 4.812 -5.743 -6.464 1.00 0.00 C ATOM 1461 O ARG A 98 4.239 -5.031 -5.639 1.00 0.00 O ATOM 1462 CB ARG A 98 7.198 -6.479 -6.611 1.00 0.00 C ATOM 1463 CG ARG A 98 7.133 -6.892 -5.149 1.00 0.00 C ATOM 1464 CD ARG A 98 7.882 -8.193 -4.904 1.00 0.00 C ATOM 1465 NE ARG A 98 7.206 -9.336 -5.511 1.00 0.00 N ATOM 1466 CZ ARG A 98 7.787 -10.515 -5.707 1.00 0.00 C ATOM 1467 NH1 ARG A 98 9.049 -10.703 -5.346 1.00 0.00 N ATOM 1468 NH2 ARG A 98 7.106 -11.507 -6.265 1.00 0.00 N ATOM 0 H ARG A 98 6.080 -3.758 -5.660 1.00 0.00 H new ATOM 0 HA ARG A 98 6.152 -5.295 -8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.013 -7.353 -7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.207 -6.133 -6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.558 -6.104 -4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.092 -7.008 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.891 -8.112 -5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.981 -8.358 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 98 6.234 -9.223 -5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.576 -9.942 -4.917 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.493 -11.609 -5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.135 -11.365 -6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.553 -12.411 -6.415 1.00 0.00 H new ATOM 1482 N LEU A 99 4.275 -6.855 -6.955 1.00 0.00 N ATOM 1483 CA LEU A 99 2.953 -7.313 -6.542 1.00 0.00 C ATOM 1484 C LEU A 99 3.043 -8.179 -5.290 1.00 0.00 C ATOM 1485 O LEU A 99 3.813 -9.138 -5.240 1.00 0.00 O ATOM 1486 CB LEU A 99 2.288 -8.099 -7.673 1.00 0.00 C ATOM 1487 CG LEU A 99 0.937 -8.737 -7.344 1.00 0.00 C ATOM 1488 CD1 LEU A 99 -0.112 -7.665 -7.093 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.497 -9.664 -8.468 1.00 0.00 C ATOM 0 H LEU A 99 4.735 -7.456 -7.639 1.00 0.00 H new ATOM 0 HA LEU A 99 2.347 -6.436 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.154 -7.430 -8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.971 -8.886 -7.992 1.00 0.00 H new ATOM 0 HG LEU A 99 1.047 -9.328 -6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.066 -8.137 -6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.198 -7.042 -6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.221 -7.047 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.466 -10.109 -8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.404 -9.095 -9.393 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.238 -10.453 -8.600 1.00 0.00 H new ATOM 1501 N TYR A 100 2.249 -7.836 -4.282 1.00 0.00 N ATOM 1502 CA TYR A 100 2.239 -8.582 -3.029 1.00 0.00 C ATOM 1503 C TYR A 100 0.891 -9.264 -2.812 1.00 0.00 C ATOM 1504 O TYR A 100 -0.149 -8.607 -2.754 1.00 0.00 O ATOM 1505 CB TYR A 100 2.547 -7.652 -1.854 1.00 0.00 C ATOM 1506 CG TYR A 100 3.939 -7.062 -1.899 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.054 -7.841 -1.618 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.137 -5.725 -2.223 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.327 -7.305 -1.657 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.407 -5.182 -2.265 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.498 -5.975 -1.981 1.00 0.00 C ATOM 1512 OH TYR A 100 7.765 -5.439 -2.022 1.00 0.00 O ATOM 0 H TYR A 100 1.604 -7.046 -4.308 1.00 0.00 H new ATOM 0 HA TYR A 100 3.010 -9.350 -3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.818 -6.842 -1.842 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.425 -8.204 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.924 -8.883 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.285 -5.100 -2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.184 -7.924 -1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.544 -4.141 -2.519 1.00 0.00 H new ATOM 0 HH TYR A 100 7.712 -4.492 -2.267 1.00 0.00 H new ATOM 1522 N LEU A 101 0.918 -10.587 -2.691 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.301 -11.360 -2.480 1.00 0.00 C ATOM 1524 C LEU A 101 -0.472 -11.714 -1.006 1.00 0.00 C ATOM 1525 O LEU A 101 0.106 -12.687 -0.519 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.271 -12.637 -3.322 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.520 -13.516 -3.252 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.749 -12.733 -3.687 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.345 -14.759 -4.113 1.00 0.00 C ATOM 0 H LEU A 101 1.770 -11.146 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.148 -10.748 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.105 -12.358 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.587 -13.233 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.663 -13.831 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.628 -13.375 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.884 -11.874 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.617 -12.388 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.243 -15.374 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.177 -14.464 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.489 -15.331 -3.756 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.270 -10.920 -0.301 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.520 -11.151 1.118 1.00 0.00 C ATOM 1543 C LEU A 102 -2.883 -11.801 1.332 1.00 0.00 C ATOM 1544 O LEU A 102 -3.762 -11.722 0.474 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.444 -9.832 1.890 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.066 -9.174 1.959 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.151 -8.262 0.762 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.089 -8.397 3.258 1.00 0.00 C ATOM 0 H LEU A 102 -1.755 -10.111 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.753 -11.829 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.139 -9.127 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.791 -10.009 2.908 1.00 0.00 H new ATOM 0 HG LEU A 102 0.691 -9.958 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.137 -7.803 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.084 -8.845 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.612 -7.484 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.076 -7.935 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.676 -7.622 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.022 -9.076 4.104 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.053 -12.442 2.484 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.310 -13.102 2.813 1.00 0.00 C ATOM 1562 C ALA A 103 -5.005 -12.408 3.980 1.00 0.00 C ATOM 1563 O ALA A 103 -4.352 -11.889 4.884 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.067 -14.568 3.137 1.00 0.00 C ATOM 0 H ALA A 103 -2.336 -12.518 3.205 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.965 -13.037 1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.014 -15.049 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.621 -15.062 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.391 -14.645 3.989 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.334 -12.403 3.952 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.117 -11.774 5.008 1.00 0.00 C ATOM 1572 C ALA A 104 -8.391 -12.563 5.291 1.00 0.00 C ATOM 1573 O ALA A 104 -8.919 -13.266 4.429 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.456 -10.339 4.631 1.00 0.00 C ATOM 0 H ALA A 104 -6.890 -12.827 3.210 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.515 -11.767 5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.041 -9.882 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.535 -9.774 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.035 -10.332 3.707 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.898 -12.446 6.527 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.117 -13.142 6.952 1.00 0.00 C ATOM 1582 C PRO A 105 -11.367 -12.584 6.280 1.00 0.00 C ATOM 1583 O PRO A 105 -11.726 -11.424 6.481 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.162 -12.888 8.461 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.398 -11.625 8.656 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.322 -11.625 7.605 1.00 0.00 C ATOM 0 HA PRO A 105 -10.098 -14.198 6.684 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.188 -12.789 8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.712 -13.712 9.015 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.047 -10.756 8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.967 -11.580 9.656 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.094 -10.615 7.263 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.392 -12.051 7.982 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.027 -13.418 5.483 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.238 -13.008 4.784 1.00 0.00 C ATOM 1596 C ALA A 106 -14.050 -12.026 5.621 1.00 0.00 C ATOM 1597 O ALA A 106 -14.685 -11.117 5.087 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.081 -14.225 4.431 1.00 0.00 C ATOM 0 H ALA A 106 -11.743 -14.382 5.306 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.943 -12.504 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -14.983 -13.904 3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.507 -14.891 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.358 -14.753 5.344 1.00 0.00 H new ATOM 1604 N ALA A 107 -14.025 -12.215 6.936 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.757 -11.344 7.847 1.00 0.00 C ATOM 1606 C ALA A 107 -14.291 -9.898 7.718 1.00 0.00 C ATOM 1607 O ALA A 107 -15.104 -8.984 7.583 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.596 -11.826 9.282 1.00 0.00 C ATOM 0 H ALA A 107 -13.506 -12.964 7.394 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.813 -11.383 7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.148 -11.166 9.952 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.984 -12.841 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.540 -11.817 9.553 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.977 -9.698 7.761 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.405 -8.362 7.650 1.00 0.00 C ATOM 1616 C GLU A 108 -12.244 -7.959 6.187 1.00 0.00 C ATOM 1617 O GLU A 108 -12.513 -6.817 5.813 1.00 0.00 O ATOM 1618 CB GLU A 108 -11.050 -8.303 8.359 1.00 0.00 C ATOM 1619 CG GLU A 108 -11.088 -8.815 9.788 1.00 0.00 C ATOM 1620 CD GLU A 108 -9.749 -8.691 10.489 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -8.730 -9.101 9.894 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -9.720 -8.186 11.630 1.00 0.00 O ATOM 0 H GLU A 108 -12.290 -10.444 7.872 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.088 -7.661 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.327 -8.889 7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.695 -7.272 8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.840 -8.260 10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.398 -9.860 9.787 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.802 -8.904 5.364 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.603 -8.648 3.943 1.00 0.00 C ATOM 1631 C ARG A 109 -12.649 -7.671 3.414 1.00 0.00 C ATOM 1632 O ARG A 109 -12.316 -6.671 2.780 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.667 -9.956 3.153 1.00 0.00 C ATOM 1634 CG ARG A 109 -10.868 -9.927 1.860 1.00 0.00 C ATOM 1635 CD ARG A 109 -11.663 -9.294 0.729 1.00 0.00 C ATOM 1636 NE ARG A 109 -12.797 -10.122 0.326 1.00 0.00 N ATOM 1637 CZ ARG A 109 -13.780 -9.691 -0.457 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -13.767 -8.449 -0.920 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -14.777 -10.505 -0.780 1.00 0.00 N ATOM 0 H ARG A 109 -11.575 -9.854 5.657 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.617 -8.202 3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.298 -10.768 3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.708 -10.180 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.944 -9.369 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.584 -10.942 1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.023 -8.314 1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.009 -9.133 -0.128 1.00 0.00 H new ATOM 0 HE ARG A 109 -12.836 -11.083 0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.001 -7.822 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.523 -8.121 -1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.789 -11.462 -0.427 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.532 -10.174 -1.381 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.918 -7.969 3.680 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.993 -7.109 3.224 1.00 0.00 C ATOM 1655 C GLY A 110 -14.683 -5.638 3.423 1.00 0.00 C ATOM 1656 O GLY A 110 -14.833 -4.835 2.501 1.00 0.00 O ATOM 0 H GLY A 110 -14.220 -8.791 4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.182 -7.298 2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.908 -7.360 3.761 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.251 -5.284 4.628 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.919 -3.899 4.945 1.00 0.00 C ATOM 1662 C ASP A 111 -12.523 -3.547 4.443 1.00 0.00 C ATOM 1663 O ASP A 111 -12.329 -2.524 3.786 1.00 0.00 O ATOM 1664 CB ASP A 111 -14.007 -3.664 6.453 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.439 -3.588 6.945 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -16.005 -4.647 7.291 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -15.994 -2.470 6.985 1.00 0.00 O ATOM 0 H ASP A 111 -14.122 -5.936 5.402 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.639 -3.254 4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.489 -4.469 6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.490 -2.738 6.704 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.554 -4.399 4.757 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.175 -4.176 4.338 1.00 0.00 C ATOM 1674 C TRP A 112 -10.121 -3.570 2.940 1.00 0.00 C ATOM 1675 O TRP A 112 -9.754 -2.407 2.771 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.393 -5.490 4.369 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.763 -5.776 5.698 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.934 -6.895 6.463 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.862 -4.929 6.420 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.194 -6.793 7.616 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.527 -5.597 7.613 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.304 -3.672 6.173 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.661 -5.049 8.556 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.446 -3.128 7.109 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.130 -3.816 8.288 1.00 0.00 C ATOM 0 H TRP A 112 -11.697 -5.250 5.300 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.719 -3.473 5.035 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -10.063 -6.309 4.109 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.616 -5.460 3.606 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.559 -7.736 6.200 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.149 -7.495 8.355 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.539 -3.135 5.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.417 -5.578 9.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.011 -2.156 6.929 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.454 -3.365 8.999 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.489 -4.365 1.941 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.484 -3.906 0.557 1.00 0.00 C ATOM 1698 C VAL A 113 -11.157 -2.544 0.428 1.00 0.00 C ATOM 1699 O VAL A 113 -10.711 -1.692 -0.340 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.197 -4.909 -0.370 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.211 -4.396 -1.802 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.530 -6.274 -0.290 1.00 0.00 C ATOM 0 H VAL A 113 -10.794 -5.330 2.064 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.440 -3.823 0.255 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.230 -5.014 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.719 -5.118 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.737 -3.442 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.187 -4.260 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.046 -6.970 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.487 -6.188 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.578 -6.643 0.735 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.233 -2.347 1.184 1.00 0.00 N ATOM 1713 CA GLN A 114 -12.967 -1.088 1.153 1.00 0.00 C ATOM 1714 C GLN A 114 -12.105 0.058 1.670 1.00 0.00 C ATOM 1715 O GLN A 114 -11.739 0.961 0.917 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.244 -1.198 1.988 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.303 -0.172 1.618 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.056 -0.540 0.355 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -15.625 -1.403 -0.410 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.189 0.115 0.129 1.00 0.00 N ATOM 0 H GLN A 114 -12.615 -3.043 1.825 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.235 -0.878 0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.661 -2.198 1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -13.990 -1.082 3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.010 -0.072 2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.830 0.801 1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.509 0.823 0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.739 -0.090 -0.705 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.783 0.016 2.958 1.00 0.00 N ATOM 1730 CA ALA A 115 -10.962 1.050 3.575 1.00 0.00 C ATOM 1731 C ALA A 115 -9.706 1.317 2.753 1.00 0.00 C ATOM 1732 O ALA A 115 -9.464 2.444 2.320 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.591 0.652 4.996 1.00 0.00 C ATOM 0 H ALA A 115 -12.078 -0.724 3.595 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.545 1.970 3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.978 1.434 5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.498 0.520 5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.031 -0.283 4.978 1.00 0.00 H new ATOM 1739 N ILE A 116 -8.910 0.274 2.543 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.679 0.396 1.773 1.00 0.00 C ATOM 1741 C ILE A 116 -7.902 1.216 0.506 1.00 0.00 C ATOM 1742 O ILE A 116 -7.269 2.253 0.306 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.117 -0.985 1.385 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.643 -1.735 2.631 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.980 -0.833 0.386 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.358 -3.199 2.383 1.00 0.00 C ATOM 0 H ILE A 116 -9.096 -0.665 2.895 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.957 0.906 2.411 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.911 -1.565 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.740 -1.257 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.402 -1.648 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.594 -1.817 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.348 -0.335 -0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.182 -0.238 0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.026 -3.667 3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.265 -3.692 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.577 -3.295 1.629 1.00 0.00 H new ATOM 1758 N CYS A 117 -8.806 0.744 -0.345 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.114 1.434 -1.593 1.00 0.00 C ATOM 1760 C CYS A 117 -9.786 2.776 -1.321 1.00 0.00 C ATOM 1761 O CYS A 117 -9.840 3.643 -2.193 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.018 0.566 -2.470 1.00 0.00 C ATOM 1763 SG CYS A 117 -10.894 1.481 -3.760 1.00 0.00 S ATOM 0 H CYS A 117 -9.338 -0.113 -0.194 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.177 1.617 -2.119 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -9.414 -0.212 -2.937 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -10.749 0.064 -1.835 1.00 0.00 H new ATOM 0 HG CYS A 117 -10.690 2.755 -3.603 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.299 2.939 -0.106 1.00 0.00 N ATOM 1770 CA LEU A 118 -10.970 4.175 0.281 1.00 0.00 C ATOM 1771 C LEU A 118 -9.990 5.344 0.298 1.00 0.00 C ATOM 1772 O LEU A 118 -10.342 6.469 -0.062 1.00 0.00 O ATOM 1773 CB LEU A 118 -11.616 4.018 1.658 1.00 0.00 C ATOM 1774 CG LEU A 118 -12.864 4.863 1.914 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.116 4.109 1.493 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -12.948 5.261 3.381 1.00 0.00 C ATOM 0 H LEU A 118 -10.263 2.231 0.627 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.745 4.384 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.877 2.969 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.873 4.265 2.416 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.792 5.771 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.994 4.727 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.060 3.875 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.193 3.184 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.843 5.862 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.995 4.364 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -12.066 5.842 3.651 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.759 5.072 0.715 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.726 6.100 0.776 1.00 0.00 C ATOM 1790 C LEU A 119 -6.729 5.940 -0.367 1.00 0.00 C ATOM 1791 O LEU A 119 -6.236 6.924 -0.917 1.00 0.00 O ATOM 1792 CB LEU A 119 -6.995 6.038 2.119 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.763 6.575 3.327 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.164 6.043 4.620 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.764 8.097 3.325 1.00 0.00 C ATOM 0 H LEU A 119 -8.451 4.147 1.016 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.210 7.072 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -6.727 5.000 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.063 6.596 2.029 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.795 6.230 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.724 6.436 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.216 4.954 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.123 6.357 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.315 8.462 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.738 8.462 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.240 8.459 2.414 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.438 4.692 -0.721 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.504 4.403 -1.801 1.00 0.00 C ATOM 1809 C ALA A 120 -5.893 5.143 -3.076 1.00 0.00 C ATOM 1810 O ALA A 120 -5.065 5.812 -3.695 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.440 2.904 -2.057 1.00 0.00 C ATOM 0 H ALA A 120 -6.836 3.866 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.517 4.751 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.738 2.703 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -5.107 2.394 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.429 2.540 -2.335 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.157 5.018 -3.465 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.655 5.675 -4.668 1.00 0.00 C ATOM 1819 C PHE A 121 -8.927 6.464 -4.371 1.00 0.00 C ATOM 1820 O PHE A 121 -9.927 6.341 -5.078 1.00 0.00 O ATOM 1821 CB PHE A 121 -7.928 4.641 -5.763 1.00 0.00 C ATOM 1822 CG PHE A 121 -6.983 3.473 -5.733 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.101 2.495 -4.759 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -5.978 3.354 -6.679 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.234 1.419 -4.729 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -5.108 2.280 -6.654 1.00 0.00 C ATOM 1827 CZ PHE A 121 -5.235 1.312 -5.677 1.00 0.00 C ATOM 0 H PHE A 121 -7.855 4.468 -2.965 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.890 6.370 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.949 4.275 -5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.861 5.128 -6.736 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.879 2.574 -4.015 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.873 4.109 -7.444 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.337 0.663 -3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.329 2.198 -7.398 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.555 0.473 -5.654 1.00 0.00 H new