USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 ASN :FLIP amide:sc= -15.6! C(o=-28!,f=-26!) USER MOD Set 1.2: A 42 GLN : amide:sc= -10.4! C(o=-26!,f=-28!) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0653 K(o=-0.065,f=-2.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.296 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= 2.28 (180deg=2.15) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.7!) USER MOD Single : A 40 GLN : amide:sc= -1.02 K(o=-1,f=-6.4!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00731 USER MOD Single : A 45 THR OG1 : rot -170:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 50 ASN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 51 MET CE :methyl -174:sc= -0.108 (180deg=-0.249) USER MOD Single : A 52 MET CE :methyl -136:sc= -2.72 (180deg=-6.95!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.247 USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= -0.0642 (180deg=-0.402) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 1.061 7.408 4.570 1.00 0.00 N ATOM 121 CA LEU A 11 2.228 6.550 4.397 1.00 0.00 C ATOM 122 C LEU A 11 2.059 5.240 5.159 1.00 0.00 C ATOM 123 O LEU A 11 2.299 4.160 4.618 1.00 0.00 O ATOM 124 CB LEU A 11 3.490 7.271 4.872 1.00 0.00 C ATOM 125 CG LEU A 11 4.796 6.854 4.197 1.00 0.00 C ATOM 126 CD1 LEU A 11 5.290 5.530 4.759 1.00 0.00 C ATOM 127 CD2 LEU A 11 4.611 6.760 2.689 1.00 0.00 C ATOM 0 HA LEU A 11 2.326 6.321 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.352 8.341 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.593 7.112 5.945 1.00 0.00 H new ATOM 0 HG LEU A 11 5.548 7.615 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.221 5.250 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.463 5.631 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.540 4.758 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.551 6.462 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.844 6.020 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.306 7.731 2.299 1.00 0.00 H new ATOM 139 N ARG A 12 1.642 5.343 6.416 1.00 0.00 N ATOM 140 CA ARG A 12 1.439 4.166 7.253 1.00 0.00 C ATOM 141 C ARG A 12 0.715 3.068 6.479 1.00 0.00 C ATOM 142 O ARG A 12 0.875 1.882 6.768 1.00 0.00 O ATOM 143 CB ARG A 12 0.639 4.535 8.505 1.00 0.00 C ATOM 144 CG ARG A 12 0.523 3.400 9.509 1.00 0.00 C ATOM 145 CD ARG A 12 0.347 3.926 10.925 1.00 0.00 C ATOM 146 NE ARG A 12 -0.341 2.966 11.783 1.00 0.00 N ATOM 147 CZ ARG A 12 -0.726 3.234 13.026 1.00 0.00 C ATOM 148 NH1 ARG A 12 -0.491 4.429 13.552 1.00 0.00 N ATOM 149 NH2 ARG A 12 -1.348 2.308 13.744 1.00 0.00 N ATOM 0 H ARG A 12 1.438 6.229 6.878 1.00 0.00 H new ATOM 0 HA ARG A 12 2.417 3.791 7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.111 5.390 8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.361 4.849 8.207 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.324 2.766 9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.415 2.776 9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.324 4.157 11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.218 4.858 10.898 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.537 2.038 11.407 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.014 5.143 13.002 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.787 4.633 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.531 1.389 13.342 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.643 2.515 14.698 1.00 0.00 H new ATOM 163 N GLY A 13 -0.082 3.471 5.495 1.00 0.00 N ATOM 164 CA GLY A 13 -0.819 2.510 4.696 1.00 0.00 C ATOM 165 C GLY A 13 -0.027 1.243 4.436 1.00 0.00 C ATOM 166 O GLY A 13 -0.600 0.166 4.268 1.00 0.00 O ATOM 0 H GLY A 13 -0.231 4.446 5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.749 2.256 5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.091 2.966 3.744 1.00 0.00 H new ATOM 170 N LEU A 14 1.295 1.372 4.401 1.00 0.00 N ATOM 171 CA LEU A 14 2.168 0.228 4.158 1.00 0.00 C ATOM 172 C LEU A 14 2.422 -0.548 5.447 1.00 0.00 C ATOM 173 O LEU A 14 2.264 -1.767 5.489 1.00 0.00 O ATOM 174 CB LEU A 14 3.497 0.693 3.560 1.00 0.00 C ATOM 175 CG LEU A 14 3.401 1.549 2.296 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.739 2.206 1.994 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.940 0.706 1.116 1.00 0.00 C ATOM 0 H LEU A 14 1.785 2.256 4.538 1.00 0.00 H new ATOM 0 HA LEU A 14 1.669 -0.433 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.035 1.261 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.099 -0.187 3.334 1.00 0.00 H new ATOM 0 HG LEU A 14 2.664 2.334 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.652 2.811 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.029 2.842 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.496 1.437 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.877 1.331 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.653 -0.100 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.959 0.283 1.332 1.00 0.00 H new ATOM 189 N GLU A 15 2.814 0.170 6.496 1.00 0.00 N ATOM 190 CA GLU A 15 3.087 -0.452 7.786 1.00 0.00 C ATOM 191 C GLU A 15 1.858 -1.194 8.305 1.00 0.00 C ATOM 192 O GLU A 15 1.973 -2.129 9.098 1.00 0.00 O ATOM 193 CB GLU A 15 3.525 0.604 8.803 1.00 0.00 C ATOM 194 CG GLU A 15 4.924 1.144 8.555 1.00 0.00 C ATOM 195 CD GLU A 15 5.381 2.098 9.641 1.00 0.00 C ATOM 196 OE1 GLU A 15 5.055 1.853 10.821 1.00 0.00 O ATOM 197 OE2 GLU A 15 6.066 3.089 9.312 1.00 0.00 O ATOM 0 H GLU A 15 2.949 1.181 6.477 1.00 0.00 H new ATOM 0 HA GLU A 15 3.893 -1.172 7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.816 1.432 8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.483 0.173 9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.625 0.312 8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.947 1.656 7.593 1.00 0.00 H new ATOM 204 N CYS A 16 0.684 -0.769 7.851 1.00 0.00 N ATOM 205 CA CYS A 16 -0.567 -1.391 8.269 1.00 0.00 C ATOM 206 C CYS A 16 -0.543 -2.893 8.005 1.00 0.00 C ATOM 207 O CYS A 16 -0.682 -3.698 8.926 1.00 0.00 O ATOM 208 CB CYS A 16 -1.749 -0.752 7.537 1.00 0.00 C ATOM 209 SG CYS A 16 -2.450 0.685 8.383 1.00 0.00 S ATOM 0 H CYS A 16 0.572 0.003 7.194 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.683 -1.230 9.341 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.426 -0.452 6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.530 -1.501 7.407 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.441 1.157 7.687 1.00 0.00 H new ATOM 215 N ILE A 17 -0.368 -3.263 6.741 1.00 0.00 N ATOM 216 CA ILE A 17 -0.326 -4.669 6.356 1.00 0.00 C ATOM 217 C ILE A 17 0.907 -5.359 6.927 1.00 0.00 C ATOM 218 O ILE A 17 1.876 -4.704 7.309 1.00 0.00 O ATOM 219 CB ILE A 17 -0.329 -4.833 4.823 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.682 -3.878 4.185 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.723 -4.586 4.268 1.00 0.00 C ATOM 222 CD1 ILE A 17 0.967 -4.184 2.731 1.00 0.00 C ATOM 0 H ILE A 17 -0.253 -2.610 5.966 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.222 -5.135 6.765 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.038 -5.855 4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.308 -2.858 4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.615 -3.921 4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.710 -4.705 3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.420 -5.302 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.040 -3.573 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.692 -3.468 2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.371 -5.192 2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.044 -4.112 2.156 1.00 0.00 H new ATOM 234 N ASN A 18 0.864 -6.686 6.982 1.00 0.00 N ATOM 235 CA ASN A 18 1.980 -7.467 7.506 1.00 0.00 C ATOM 236 C ASN A 18 2.998 -7.763 6.410 1.00 0.00 C ATOM 237 O ASN A 18 2.636 -8.002 5.258 1.00 0.00 O ATOM 238 CB ASN A 18 1.472 -8.775 8.114 1.00 0.00 C ATOM 239 CG ASN A 18 2.432 -9.347 9.139 1.00 0.00 C ATOM 240 OD1 ASN A 18 3.588 -9.635 8.829 1.00 0.00 O ATOM 241 ND2 ASN A 18 1.955 -9.516 10.367 1.00 0.00 N ATOM 0 H ASN A 18 0.069 -7.244 6.670 1.00 0.00 H new ATOM 0 HA ASN A 18 2.470 -6.880 8.283 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.504 -8.602 8.584 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.315 -9.505 7.320 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.554 -9.899 11.099 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.990 -9.263 10.578 1.00 0.00 H new ATOM 248 N LYS A 19 4.275 -7.748 6.777 1.00 0.00 N ATOM 249 CA LYS A 19 5.348 -8.018 5.827 1.00 0.00 C ATOM 250 C LYS A 19 4.915 -9.055 4.797 1.00 0.00 C ATOM 251 O LYS A 19 5.192 -8.916 3.605 1.00 0.00 O ATOM 252 CB LYS A 19 6.598 -8.504 6.563 1.00 0.00 C ATOM 253 CG LYS A 19 7.221 -7.453 7.465 1.00 0.00 C ATOM 254 CD LYS A 19 8.102 -6.496 6.681 1.00 0.00 C ATOM 255 CE LYS A 19 9.173 -5.873 7.564 1.00 0.00 C ATOM 256 NZ LYS A 19 10.400 -5.533 6.791 1.00 0.00 N ATOM 0 H LYS A 19 4.592 -7.552 7.726 1.00 0.00 H new ATOM 0 HA LYS A 19 5.580 -7.089 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.340 -9.378 7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.338 -8.827 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.434 -6.893 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.812 -7.941 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.574 -7.028 5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.487 -5.710 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.778 -4.972 8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.429 -6.564 8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.106 -5.111 7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.792 -6.397 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.161 -4.854 6.041 1.00 0.00 H new ATOM 270 N HIS A 20 4.233 -10.097 5.263 1.00 0.00 N ATOM 271 CA HIS A 20 3.759 -11.158 4.382 1.00 0.00 C ATOM 272 C HIS A 20 3.097 -10.574 3.137 1.00 0.00 C ATOM 273 O HIS A 20 3.465 -10.912 2.011 1.00 0.00 O ATOM 274 CB HIS A 20 2.773 -12.062 5.122 1.00 0.00 C ATOM 275 CG HIS A 20 2.086 -13.053 4.233 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.758 -14.049 3.557 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.778 -13.198 3.912 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.894 -14.763 2.856 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.686 -14.267 3.056 1.00 0.00 N ATOM 0 H HIS A 20 3.996 -10.229 6.246 1.00 0.00 H new ATOM 0 HA HIS A 20 4.619 -11.750 4.071 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.304 -12.599 5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.021 -11.442 5.611 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.040 -12.587 4.264 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.135 -15.607 2.227 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.176 -14.621 2.641 1.00 0.00 H new ATOM 288 N TYR A 21 2.120 -9.700 3.347 1.00 0.00 N ATOM 289 CA TYR A 21 1.406 -9.072 2.241 1.00 0.00 C ATOM 290 C TYR A 21 2.282 -8.038 1.542 1.00 0.00 C ATOM 291 O TYR A 21 2.313 -7.962 0.315 1.00 0.00 O ATOM 292 CB TYR A 21 0.122 -8.412 2.746 1.00 0.00 C ATOM 293 CG TYR A 21 -1.045 -9.366 2.866 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.623 -9.933 1.736 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.569 -9.702 4.108 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.689 -10.806 1.840 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.634 -10.575 4.222 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.190 -11.123 3.085 1.00 0.00 C ATOM 299 OH TYR A 21 -4.253 -11.992 3.194 1.00 0.00 O ATOM 0 H TYR A 21 1.804 -9.410 4.272 1.00 0.00 H new ATOM 0 HA TYR A 21 1.149 -9.849 1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.314 -7.962 3.720 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.150 -7.602 2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.232 -9.687 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.136 -9.273 5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.127 -11.237 0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.029 -10.827 5.195 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.483 -12.110 4.139 1.00 0.00 H new ATOM 309 N PHE A 22 2.994 -7.243 2.336 1.00 0.00 N ATOM 310 CA PHE A 22 3.872 -6.213 1.794 1.00 0.00 C ATOM 311 C PHE A 22 4.687 -6.751 0.623 1.00 0.00 C ATOM 312 O PHE A 22 4.741 -6.140 -0.444 1.00 0.00 O ATOM 313 CB PHE A 22 4.809 -5.688 2.884 1.00 0.00 C ATOM 314 CG PHE A 22 5.742 -4.612 2.406 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.265 -3.545 1.661 1.00 0.00 C ATOM 316 CD2 PHE A 22 7.094 -4.666 2.702 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.120 -2.552 1.220 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.954 -3.676 2.264 1.00 0.00 C ATOM 319 CZ PHE A 22 7.466 -2.619 1.520 1.00 0.00 C ATOM 0 H PHE A 22 2.980 -7.293 3.355 1.00 0.00 H new ATOM 0 HA PHE A 22 3.250 -5.394 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.212 -5.300 3.709 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.396 -6.518 3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.213 -3.489 1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.481 -5.491 3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.735 -1.725 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.006 -3.729 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.136 -1.846 1.174 1.00 0.00 H new ATOM 329 N SER A 23 5.321 -7.901 0.830 1.00 0.00 N ATOM 330 CA SER A 23 6.137 -8.522 -0.205 1.00 0.00 C ATOM 331 C SER A 23 5.430 -8.475 -1.556 1.00 0.00 C ATOM 332 O SER A 23 5.998 -8.029 -2.554 1.00 0.00 O ATOM 333 CB SER A 23 6.456 -9.972 0.165 1.00 0.00 C ATOM 334 OG SER A 23 7.382 -10.540 -0.743 1.00 0.00 O ATOM 0 H SER A 23 5.285 -8.421 1.706 1.00 0.00 H new ATOM 0 HA SER A 23 7.069 -7.961 -0.281 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.863 -10.011 1.176 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.538 -10.560 0.168 1.00 0.00 H new ATOM 0 HG SER A 23 7.569 -11.466 -0.483 1.00 0.00 H new ATOM 340 N LEU A 24 4.185 -8.938 -1.581 1.00 0.00 N ATOM 341 CA LEU A 24 3.397 -8.950 -2.808 1.00 0.00 C ATOM 342 C LEU A 24 3.321 -7.555 -3.420 1.00 0.00 C ATOM 343 O LEU A 24 3.575 -7.373 -4.611 1.00 0.00 O ATOM 344 CB LEU A 24 1.986 -9.474 -2.527 1.00 0.00 C ATOM 345 CG LEU A 24 1.882 -10.951 -2.152 1.00 0.00 C ATOM 346 CD1 LEU A 24 2.110 -11.141 -0.660 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.527 -11.511 -2.562 1.00 0.00 C ATOM 0 H LEU A 24 3.699 -9.310 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 24 3.889 -9.613 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.555 -8.883 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.373 -9.300 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 24 2.657 -11.498 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.032 -12.200 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.103 -10.778 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.359 -10.581 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.470 -12.564 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.264 -10.960 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.403 -11.410 -3.640 1.00 0.00 H new ATOM 359 N PHE A 25 2.973 -6.572 -2.597 1.00 0.00 N ATOM 360 CA PHE A 25 2.866 -5.192 -3.057 1.00 0.00 C ATOM 361 C PHE A 25 4.107 -4.783 -3.843 1.00 0.00 C ATOM 362 O PHE A 25 4.011 -4.147 -4.893 1.00 0.00 O ATOM 363 CB PHE A 25 2.668 -4.250 -1.868 1.00 0.00 C ATOM 364 CG PHE A 25 2.214 -2.873 -2.263 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.125 -2.702 -3.103 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.876 -1.750 -1.794 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.705 -1.437 -3.468 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.461 -0.483 -2.155 1.00 0.00 C ATOM 369 CZ PHE A 25 1.374 -0.326 -2.994 1.00 0.00 C ATOM 0 H PHE A 25 2.760 -6.705 -1.608 1.00 0.00 H new ATOM 0 HA PHE A 25 2.001 -5.121 -3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.935 -4.685 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.605 -4.171 -1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.598 -3.568 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.726 -1.867 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.145 -1.318 -4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.985 0.384 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.048 0.664 -3.278 1.00 0.00 H new ATOM 379 N LYS A 26 5.275 -5.151 -3.328 1.00 0.00 N ATOM 380 CA LYS A 26 6.538 -4.824 -3.980 1.00 0.00 C ATOM 381 C LYS A 26 6.633 -5.492 -5.347 1.00 0.00 C ATOM 382 O LYS A 26 6.996 -4.856 -6.336 1.00 0.00 O ATOM 383 CB LYS A 26 7.715 -5.259 -3.105 1.00 0.00 C ATOM 384 CG LYS A 26 8.087 -4.244 -2.037 1.00 0.00 C ATOM 385 CD LYS A 26 9.290 -4.701 -1.229 1.00 0.00 C ATOM 386 CE LYS A 26 8.898 -5.728 -0.178 1.00 0.00 C ATOM 387 NZ LYS A 26 10.039 -6.070 0.716 1.00 0.00 N ATOM 0 H LYS A 26 5.373 -5.677 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 26 6.577 -3.744 -4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.469 -6.206 -2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.582 -5.440 -3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.306 -3.285 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.238 -4.087 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.037 -5.130 -1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.752 -3.841 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.073 -5.340 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.538 -6.632 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.692 -6.623 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.738 -6.630 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.485 -5.196 1.060 1.00 0.00 H new ATOM 401 N SER A 27 6.303 -6.780 -5.396 1.00 0.00 N ATOM 402 CA SER A 27 6.354 -7.535 -6.642 1.00 0.00 C ATOM 403 C SER A 27 5.519 -6.856 -7.723 1.00 0.00 C ATOM 404 O SER A 27 5.897 -6.836 -8.896 1.00 0.00 O ATOM 405 CB SER A 27 5.854 -8.963 -6.418 1.00 0.00 C ATOM 406 OG SER A 27 6.910 -9.813 -6.002 1.00 0.00 O ATOM 0 H SER A 27 5.998 -7.321 -4.587 1.00 0.00 H new ATOM 0 HA SER A 27 7.391 -7.569 -6.976 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.066 -8.962 -5.665 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.415 -9.347 -7.339 1.00 0.00 H new ATOM 0 HG SER A 27 6.565 -10.720 -5.864 1.00 0.00 H new ATOM 412 N LEU A 28 4.381 -6.301 -7.321 1.00 0.00 N ATOM 413 CA LEU A 28 3.491 -5.619 -8.254 1.00 0.00 C ATOM 414 C LEU A 28 4.074 -4.276 -8.683 1.00 0.00 C ATOM 415 O LEU A 28 4.128 -3.962 -9.873 1.00 0.00 O ATOM 416 CB LEU A 28 2.116 -5.411 -7.618 1.00 0.00 C ATOM 417 CG LEU A 28 1.461 -6.653 -7.012 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.319 -6.258 -6.089 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.966 -7.584 -8.110 1.00 0.00 C ATOM 0 H LEU A 28 4.053 -6.310 -6.355 1.00 0.00 H new ATOM 0 HA LEU A 28 3.385 -6.246 -9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.210 -4.657 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.446 -5.004 -8.375 1.00 0.00 H new ATOM 0 HG LEU A 28 2.209 -7.184 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.135 -7.155 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.702 -5.632 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.430 -5.704 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.503 -8.462 -7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.234 -7.063 -8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.807 -7.894 -8.730 1.00 0.00 H new ATOM 431 N LEU A 29 4.511 -3.490 -7.706 1.00 0.00 N ATOM 432 CA LEU A 29 5.094 -2.180 -7.981 1.00 0.00 C ATOM 433 C LEU A 29 6.509 -2.319 -8.534 1.00 0.00 C ATOM 434 O LEU A 29 7.075 -1.364 -9.066 1.00 0.00 O ATOM 435 CB LEU A 29 5.111 -1.330 -6.710 1.00 0.00 C ATOM 436 CG LEU A 29 3.854 -0.502 -6.439 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.536 0.389 -7.630 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.677 -1.411 -6.119 1.00 0.00 C ATOM 0 H LEU A 29 4.473 -3.736 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 29 4.478 -1.686 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.278 -1.989 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.964 -0.653 -6.761 1.00 0.00 H new ATOM 0 HG LEU A 29 4.039 0.136 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.639 0.971 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.372 1.064 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.369 -0.229 -8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.791 -0.805 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.489 -2.074 -6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.907 -2.006 -5.235 1.00 0.00 H new ATOM 450 N ALA A 30 7.074 -3.515 -8.406 1.00 0.00 N ATOM 451 CA ALA A 30 8.421 -3.781 -8.896 1.00 0.00 C ATOM 452 C ALA A 30 8.630 -3.178 -10.281 1.00 0.00 C ATOM 453 O ALA A 30 9.639 -2.519 -10.535 1.00 0.00 O ATOM 454 CB ALA A 30 8.686 -5.278 -8.923 1.00 0.00 C ATOM 0 H ALA A 30 6.619 -4.316 -7.967 1.00 0.00 H new ATOM 0 HA ALA A 30 9.129 -3.311 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.695 -5.462 -9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.587 -5.683 -7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.966 -5.763 -9.582 1.00 0.00 H new ATOM 460 N ARG A 31 7.671 -3.408 -11.172 1.00 0.00 N ATOM 461 CA ARG A 31 7.751 -2.889 -12.532 1.00 0.00 C ATOM 462 C ARG A 31 7.921 -1.373 -12.526 1.00 0.00 C ATOM 463 O ARG A 31 8.916 -0.847 -13.023 1.00 0.00 O ATOM 464 CB ARG A 31 6.498 -3.270 -13.321 1.00 0.00 C ATOM 465 CG ARG A 31 5.201 -2.970 -12.587 1.00 0.00 C ATOM 466 CD ARG A 31 4.127 -3.997 -12.910 1.00 0.00 C ATOM 467 NE ARG A 31 3.313 -3.594 -14.054 1.00 0.00 N ATOM 468 CZ ARG A 31 2.402 -4.379 -14.620 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.190 -5.601 -14.150 1.00 0.00 N ATOM 470 NH2 ARG A 31 1.701 -3.941 -15.657 1.00 0.00 N ATOM 0 H ARG A 31 6.830 -3.950 -10.976 1.00 0.00 H new ATOM 0 HA ARG A 31 8.623 -3.333 -13.013 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.500 -2.735 -14.271 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.536 -4.334 -13.555 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.384 -2.959 -11.513 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.849 -1.975 -12.860 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.596 -4.959 -13.119 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.486 -4.137 -12.040 1.00 0.00 H new ATOM 0 HE ARG A 31 3.451 -2.660 -14.439 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.727 -5.941 -13.352 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.490 -6.201 -14.587 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.861 -3.001 -16.020 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.002 -4.544 -16.091 1.00 0.00 H new ATOM 484 N ASP A 32 6.940 -0.676 -11.961 1.00 0.00 N ATOM 485 CA ASP A 32 6.980 0.781 -11.890 1.00 0.00 C ATOM 486 C ASP A 32 8.173 1.252 -11.063 1.00 0.00 C ATOM 487 O ASP A 32 9.069 1.925 -11.574 1.00 0.00 O ATOM 488 CB ASP A 32 5.682 1.318 -11.287 1.00 0.00 C ATOM 489 CG ASP A 32 4.584 1.474 -12.322 1.00 0.00 C ATOM 490 OD1 ASP A 32 3.931 0.460 -12.648 1.00 0.00 O ATOM 491 OD2 ASP A 32 4.379 2.607 -12.805 1.00 0.00 O ATOM 0 H ASP A 32 6.108 -1.096 -11.546 1.00 0.00 H new ATOM 0 HA ASP A 32 7.088 1.167 -12.903 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.343 0.643 -10.501 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.875 2.283 -10.818 1.00 0.00 H new ATOM 496 N LEU A 33 8.178 0.894 -9.784 1.00 0.00 N ATOM 497 CA LEU A 33 9.260 1.281 -8.886 1.00 0.00 C ATOM 498 C LEU A 33 10.594 0.722 -9.368 1.00 0.00 C ATOM 499 O LEU A 33 11.657 1.172 -8.942 1.00 0.00 O ATOM 500 CB LEU A 33 8.971 0.789 -7.466 1.00 0.00 C ATOM 501 CG LEU A 33 7.714 1.353 -6.803 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.527 0.754 -5.417 1.00 0.00 C ATOM 503 CD2 LEU A 33 7.789 2.872 -6.724 1.00 0.00 C ATOM 0 H LEU A 33 7.445 0.336 -9.345 1.00 0.00 H new ATOM 0 HA LEU A 33 9.324 2.369 -8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.889 -0.298 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.828 1.031 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 33 6.852 1.082 -7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.628 1.167 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.428 -0.328 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.391 0.994 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.886 3.257 -6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.660 3.163 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.875 3.285 -7.729 1.00 0.00 H new ATOM 515 N ASN A 34 10.530 -0.262 -10.259 1.00 0.00 N ATOM 516 CA ASN A 34 11.734 -0.881 -10.802 1.00 0.00 C ATOM 517 C ASN A 34 12.534 -1.570 -9.700 1.00 0.00 C ATOM 518 O ASN A 34 13.766 -1.570 -9.720 1.00 0.00 O ATOM 519 CB ASN A 34 12.604 0.168 -11.499 1.00 0.00 C ATOM 520 CG ASN A 34 13.646 -0.456 -12.407 1.00 0.00 C ATOM 521 OD1 ASN A 34 13.573 -1.642 -12.732 1.00 0.00 O ATOM 522 ND2 ASN A 34 14.623 0.341 -12.821 1.00 0.00 N ATOM 0 H ASN A 34 9.658 -0.648 -10.620 1.00 0.00 H new ATOM 0 HA ASN A 34 11.429 -1.632 -11.531 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.968 0.833 -12.083 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.101 0.781 -10.747 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.353 -0.023 -13.433 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.644 1.317 -12.527 1.00 0.00 H new ATOM 529 N LEU A 35 11.827 -2.157 -8.741 1.00 0.00 N ATOM 530 CA LEU A 35 12.470 -2.851 -7.632 1.00 0.00 C ATOM 531 C LEU A 35 13.372 -3.972 -8.139 1.00 0.00 C ATOM 532 O LEU A 35 13.500 -4.179 -9.345 1.00 0.00 O ATOM 533 CB LEU A 35 11.417 -3.420 -6.680 1.00 0.00 C ATOM 534 CG LEU A 35 10.347 -2.439 -6.199 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.207 -3.183 -5.520 1.00 0.00 C ATOM 536 CD2 LEU A 35 10.952 -1.410 -5.255 1.00 0.00 C ATOM 0 H LEU A 35 10.808 -2.166 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 35 13.085 -2.130 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.920 -4.254 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.927 -3.827 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 35 9.946 -1.915 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.455 -2.469 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.756 -3.880 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.592 -3.734 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.176 -0.720 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.381 -1.917 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.733 -0.855 -5.774 1.00 0.00 H new ATOM 548 N GLU A 36 13.993 -4.692 -7.210 1.00 0.00 N ATOM 549 CA GLU A 36 14.881 -5.792 -7.564 1.00 0.00 C ATOM 550 C GLU A 36 14.372 -7.110 -6.986 1.00 0.00 C ATOM 551 O GLU A 36 14.400 -7.319 -5.774 1.00 0.00 O ATOM 552 CB GLU A 36 16.299 -5.515 -7.061 1.00 0.00 C ATOM 553 CG GLU A 36 17.170 -4.783 -8.068 1.00 0.00 C ATOM 554 CD GLU A 36 18.362 -4.102 -7.422 1.00 0.00 C ATOM 555 OE1 GLU A 36 19.238 -4.816 -6.890 1.00 0.00 O ATOM 556 OE2 GLU A 36 18.417 -2.854 -7.447 1.00 0.00 O ATOM 0 H GLU A 36 13.897 -4.533 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 36 14.899 -5.875 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.242 -4.925 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.775 -6.461 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.523 -5.490 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.569 -4.038 -8.589 1.00 0.00 H new ATOM 563 N ARG A 37 13.909 -7.994 -7.863 1.00 0.00 N ATOM 564 CA ARG A 37 13.392 -9.290 -7.440 1.00 0.00 C ATOM 565 C ARG A 37 14.192 -9.836 -6.260 1.00 0.00 C ATOM 566 O ARG A 37 13.651 -10.532 -5.400 1.00 0.00 O ATOM 567 CB ARG A 37 13.435 -10.285 -8.602 1.00 0.00 C ATOM 568 CG ARG A 37 14.838 -10.546 -9.127 1.00 0.00 C ATOM 569 CD ARG A 37 14.945 -11.922 -9.767 1.00 0.00 C ATOM 570 NE ARG A 37 14.616 -11.891 -11.189 1.00 0.00 N ATOM 571 CZ ARG A 37 14.639 -12.964 -11.972 1.00 0.00 C ATOM 572 NH1 ARG A 37 14.973 -14.146 -11.472 1.00 0.00 N ATOM 573 NH2 ARG A 37 14.327 -12.856 -13.257 1.00 0.00 N ATOM 0 H ARG A 37 13.881 -7.837 -8.870 1.00 0.00 H new ATOM 0 HA ARG A 37 12.357 -9.154 -7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.996 -11.229 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.816 -9.908 -9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.102 -9.782 -9.858 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.554 -10.467 -8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.957 -12.304 -9.637 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.275 -12.613 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 37 14.354 -10.997 -11.604 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.213 -14.233 -10.484 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.990 -14.968 -12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.069 -11.948 -13.645 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.345 -13.680 -13.857 1.00 0.00 H new ATOM 587 N ASP A 38 15.480 -9.516 -6.227 1.00 0.00 N ATOM 588 CA ASP A 38 16.354 -9.973 -5.152 1.00 0.00 C ATOM 589 C ASP A 38 16.311 -9.010 -3.970 1.00 0.00 C ATOM 590 O ASP A 38 16.103 -9.422 -2.829 1.00 0.00 O ATOM 591 CB ASP A 38 17.791 -10.112 -5.660 1.00 0.00 C ATOM 592 CG ASP A 38 18.070 -11.485 -6.237 1.00 0.00 C ATOM 593 OD1 ASP A 38 17.297 -11.927 -7.113 1.00 0.00 O ATOM 594 OD2 ASP A 38 19.059 -12.118 -5.813 1.00 0.00 O ATOM 0 H ASP A 38 15.943 -8.942 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 38 15.998 -10.947 -4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.979 -9.356 -6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.483 -9.918 -4.841 1.00 0.00 H new ATOM 599 N ASN A 39 16.507 -7.726 -4.250 1.00 0.00 N ATOM 600 CA ASN A 39 16.491 -6.705 -3.209 1.00 0.00 C ATOM 601 C ASN A 39 15.063 -6.404 -2.764 1.00 0.00 C ATOM 602 O ASN A 39 14.833 -5.510 -1.951 1.00 0.00 O ATOM 603 CB ASN A 39 17.160 -5.424 -3.712 1.00 0.00 C ATOM 604 CG ASN A 39 17.823 -4.641 -2.594 1.00 0.00 C ATOM 605 OD1 ASN A 39 17.013 -3.973 -1.780 1.00 0.00 O flip ATOM 606 ND2 ASN A 39 19.047 -4.637 -2.465 1.00 0.00 N flip ATOM 0 H ASN A 39 16.679 -7.368 -5.189 1.00 0.00 H new ATOM 0 HA ASN A 39 17.047 -7.086 -2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.905 -5.678 -4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 39 16.415 -4.796 -4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 39 19.630 -5.165 -3.114 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.478 -4.106 -1.709 1.00 0.00 H new ATOM 613 N GLN A 40 14.110 -7.158 -3.302 1.00 0.00 N ATOM 614 CA GLN A 40 12.705 -6.972 -2.959 1.00 0.00 C ATOM 615 C GLN A 40 12.372 -7.656 -1.637 1.00 0.00 C ATOM 616 O GLN A 40 11.302 -7.440 -1.069 1.00 0.00 O ATOM 617 CB GLN A 40 11.810 -7.521 -4.072 1.00 0.00 C ATOM 618 CG GLN A 40 11.499 -6.506 -5.159 1.00 0.00 C ATOM 619 CD GLN A 40 10.361 -6.945 -6.059 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.236 -7.149 -5.601 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.647 -7.091 -7.347 1.00 0.00 N ATOM 0 H GLN A 40 14.285 -7.903 -3.977 1.00 0.00 H new ATOM 0 HA GLN A 40 12.522 -5.903 -2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.295 -8.387 -4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.875 -7.871 -3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.245 -5.552 -4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.391 -6.341 -5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.593 -6.911 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.921 -7.383 -8.001 1.00 0.00 H new ATOM 630 N GLU A 41 13.294 -8.482 -1.155 1.00 0.00 N ATOM 631 CA GLU A 41 13.097 -9.198 0.100 1.00 0.00 C ATOM 632 C GLU A 41 13.708 -8.429 1.268 1.00 0.00 C ATOM 633 O GLU A 41 13.432 -8.726 2.430 1.00 0.00 O ATOM 634 CB GLU A 41 13.714 -10.597 0.017 1.00 0.00 C ATOM 635 CG GLU A 41 13.219 -11.545 1.097 1.00 0.00 C ATOM 636 CD GLU A 41 14.221 -12.639 1.415 1.00 0.00 C ATOM 637 OE1 GLU A 41 15.254 -12.331 2.045 1.00 0.00 O ATOM 638 OE2 GLU A 41 13.971 -13.801 1.034 1.00 0.00 O ATOM 0 H GLU A 41 14.185 -8.672 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 41 12.024 -9.291 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.492 -11.025 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.798 -10.512 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.005 -10.978 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.281 -11.998 0.776 1.00 0.00 H new ATOM 645 N GLN A 42 14.538 -7.443 0.948 1.00 0.00 N ATOM 646 CA GLN A 42 15.189 -6.632 1.971 1.00 0.00 C ATOM 647 C GLN A 42 14.476 -5.295 2.142 1.00 0.00 C ATOM 648 O GLN A 42 14.242 -4.844 3.264 1.00 0.00 O ATOM 649 CB GLN A 42 16.657 -6.398 1.608 1.00 0.00 C ATOM 650 CG GLN A 42 16.848 -5.643 0.303 1.00 0.00 C ATOM 651 CD GLN A 42 18.308 -5.504 -0.083 1.00 0.00 C ATOM 652 OE1 GLN A 42 18.942 -4.486 0.197 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.850 -6.530 -0.728 1.00 0.00 N ATOM 0 H GLN A 42 14.776 -7.186 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 42 15.137 -7.174 2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.138 -5.842 2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 42 17.163 -7.361 1.539 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.313 -6.161 -0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.404 -4.652 0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.287 -7.354 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.829 -6.494 -1.012 1.00 0.00 H new ATOM 662 N TYR A 43 14.132 -4.666 1.023 1.00 0.00 N ATOM 663 CA TYR A 43 13.448 -3.379 1.049 1.00 0.00 C ATOM 664 C TYR A 43 12.359 -3.363 2.116 1.00 0.00 C ATOM 665 O TYR A 43 11.518 -4.260 2.178 1.00 0.00 O ATOM 666 CB TYR A 43 12.840 -3.074 -0.321 1.00 0.00 C ATOM 667 CG TYR A 43 13.869 -2.763 -1.384 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.946 -1.930 -1.114 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.763 -3.304 -2.660 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.889 -1.643 -2.083 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.701 -3.024 -3.635 1.00 0.00 C ATOM 672 CZ TYR A 43 15.762 -2.193 -3.342 1.00 0.00 C ATOM 673 OH TYR A 43 16.698 -1.911 -4.310 1.00 0.00 O ATOM 0 H TYR A 43 14.316 -5.027 0.087 1.00 0.00 H new ATOM 0 HA TYR A 43 14.182 -2.611 1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.244 -3.928 -0.643 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.160 -2.228 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.049 -1.498 -0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.933 -3.954 -2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.720 -0.992 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.604 -3.453 -4.621 1.00 0.00 H new ATOM 0 HH TYR A 43 16.462 -2.378 -5.139 1.00 0.00 H new ATOM 683 N THR A 44 12.378 -2.334 2.958 1.00 0.00 N ATOM 684 CA THR A 44 11.394 -2.199 4.024 1.00 0.00 C ATOM 685 C THR A 44 10.263 -1.264 3.613 1.00 0.00 C ATOM 686 O THR A 44 10.408 -0.467 2.685 1.00 0.00 O ATOM 687 CB THR A 44 12.038 -1.669 5.319 1.00 0.00 C ATOM 688 OG1 THR A 44 12.445 -0.307 5.143 1.00 0.00 O ATOM 689 CG2 THR A 44 13.239 -2.515 5.712 1.00 0.00 C ATOM 0 H THR A 44 13.065 -1.581 2.922 1.00 0.00 H new ATOM 0 HA THR A 44 10.990 -3.194 4.209 1.00 0.00 H new ATOM 0 HB THR A 44 11.297 -1.726 6.116 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.852 0.023 5.971 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.677 -2.121 6.629 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.921 -3.545 5.875 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.981 -2.486 4.914 1.00 0.00 H new ATOM 697 N THR A 45 9.135 -1.365 4.309 1.00 0.00 N ATOM 698 CA THR A 45 7.978 -0.528 4.015 1.00 0.00 C ATOM 699 C THR A 45 8.379 0.936 3.875 1.00 0.00 C ATOM 700 O THR A 45 7.679 1.723 3.238 1.00 0.00 O ATOM 701 CB THR A 45 6.903 -0.651 5.112 1.00 0.00 C ATOM 702 OG1 THR A 45 7.512 -0.572 6.405 1.00 0.00 O ATOM 703 CG2 THR A 45 6.145 -1.963 4.982 1.00 0.00 C ATOM 0 H THR A 45 8.998 -2.018 5.080 1.00 0.00 H new ATOM 0 HA THR A 45 7.565 -0.881 3.070 1.00 0.00 H new ATOM 0 HB THR A 45 6.197 0.171 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.853 -0.807 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.392 -2.027 5.767 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.658 -2.007 4.008 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.841 -2.796 5.078 1.00 0.00 H new ATOM 711 N ILE A 46 9.511 1.294 4.472 1.00 0.00 N ATOM 712 CA ILE A 46 10.006 2.664 4.411 1.00 0.00 C ATOM 713 C ILE A 46 10.636 2.960 3.054 1.00 0.00 C ATOM 714 O ILE A 46 10.167 3.828 2.319 1.00 0.00 O ATOM 715 CB ILE A 46 11.043 2.937 5.517 1.00 0.00 C ATOM 716 CG1 ILE A 46 10.355 3.024 6.881 1.00 0.00 C ATOM 717 CG2 ILE A 46 11.808 4.219 5.221 1.00 0.00 C ATOM 718 CD1 ILE A 46 9.314 4.118 6.965 1.00 0.00 C ATOM 0 H ILE A 46 10.102 0.655 5.003 1.00 0.00 H new ATOM 0 HA ILE A 46 9.147 3.318 4.561 1.00 0.00 H new ATOM 0 HB ILE A 46 11.753 2.110 5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.883 2.067 7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.110 3.192 7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.537 4.398 6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.325 4.122 4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.111 5.056 5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.868 4.120 7.960 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.784 5.083 6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.538 3.940 6.220 1.00 0.00 H new ATOM 730 N GLN A 47 11.700 2.233 2.730 1.00 0.00 N ATOM 731 CA GLN A 47 12.393 2.418 1.461 1.00 0.00 C ATOM 732 C GLN A 47 11.405 2.444 0.299 1.00 0.00 C ATOM 733 O GLN A 47 11.430 3.354 -0.530 1.00 0.00 O ATOM 734 CB GLN A 47 13.419 1.304 1.249 1.00 0.00 C ATOM 735 CG GLN A 47 14.529 1.292 2.288 1.00 0.00 C ATOM 736 CD GLN A 47 15.814 0.681 1.763 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.467 1.242 0.883 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.183 -0.474 2.302 1.00 0.00 N ATOM 0 H GLN A 47 12.101 1.511 3.328 1.00 0.00 H new ATOM 0 HA GLN A 47 12.910 3.377 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.907 0.342 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.861 1.413 0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.724 2.313 2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.196 0.733 3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.611 -0.903 3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.039 -0.933 1.989 1.00 0.00 H new ATOM 747 N ILE A 48 10.536 1.440 0.246 1.00 0.00 N ATOM 748 CA ILE A 48 9.540 1.348 -0.814 1.00 0.00 C ATOM 749 C ILE A 48 8.649 2.585 -0.838 1.00 0.00 C ATOM 750 O ILE A 48 8.250 3.055 -1.903 1.00 0.00 O ATOM 751 CB ILE A 48 8.658 0.096 -0.650 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.517 -1.169 -0.690 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.592 0.053 -1.735 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.399 -1.262 -1.916 1.00 0.00 C ATOM 0 H ILE A 48 10.502 0.679 0.925 1.00 0.00 H new ATOM 0 HA ILE A 48 10.085 1.277 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 48 8.161 0.145 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.143 -1.202 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.866 -2.042 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.977 -0.837 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.964 0.941 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.070 0.024 -2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.980 -2.184 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.778 -1.261 -2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.076 -0.408 -1.943 1.00 0.00 H new ATOM 766 N ALA A 49 8.339 3.109 0.344 1.00 0.00 N ATOM 767 CA ALA A 49 7.498 4.293 0.459 1.00 0.00 C ATOM 768 C ALA A 49 8.154 5.498 -0.209 1.00 0.00 C ATOM 769 O ALA A 49 7.478 6.323 -0.823 1.00 0.00 O ATOM 770 CB ALA A 49 7.205 4.592 1.921 1.00 0.00 C ATOM 0 H ALA A 49 8.659 2.731 1.236 1.00 0.00 H new ATOM 0 HA ALA A 49 6.558 4.093 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.576 5.479 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.688 3.744 2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.141 4.768 2.451 1.00 0.00 H new ATOM 776 N ASN A 50 9.473 5.594 -0.083 1.00 0.00 N ATOM 777 CA ASN A 50 10.220 6.699 -0.673 1.00 0.00 C ATOM 778 C ASN A 50 10.056 6.717 -2.190 1.00 0.00 C ATOM 779 O ASN A 50 9.689 7.736 -2.773 1.00 0.00 O ATOM 780 CB ASN A 50 11.702 6.594 -0.309 1.00 0.00 C ATOM 781 CG ASN A 50 11.986 7.069 1.103 1.00 0.00 C ATOM 782 OD1 ASN A 50 12.740 8.019 1.310 1.00 0.00 O ATOM 783 ND2 ASN A 50 11.380 6.408 2.082 1.00 0.00 N ATOM 0 H ASN A 50 10.047 4.920 0.423 1.00 0.00 H new ATOM 0 HA ASN A 50 9.821 7.630 -0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.026 5.559 -0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.289 7.184 -1.013 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.532 6.682 3.053 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.763 5.626 1.863 1.00 0.00 H new ATOM 790 N MET A 51 10.334 5.581 -2.823 1.00 0.00 N ATOM 791 CA MET A 51 10.216 5.466 -4.272 1.00 0.00 C ATOM 792 C MET A 51 8.843 5.933 -4.745 1.00 0.00 C ATOM 793 O MET A 51 8.732 6.902 -5.494 1.00 0.00 O ATOM 794 CB MET A 51 10.455 4.019 -4.710 1.00 0.00 C ATOM 795 CG MET A 51 11.923 3.629 -4.743 1.00 0.00 C ATOM 796 SD MET A 51 12.550 3.147 -3.121 1.00 0.00 S ATOM 797 CE MET A 51 12.686 1.373 -3.325 1.00 0.00 C ATOM 0 H MET A 51 10.642 4.728 -2.356 1.00 0.00 H new ATOM 0 HA MET A 51 10.973 6.106 -4.726 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.925 3.350 -4.032 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.026 3.873 -5.701 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.060 2.803 -5.441 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.509 4.467 -5.121 1.00 0.00 H new ATOM 0 HE1 MET A 51 12.959 0.917 -2.373 1.00 0.00 H new ATOM 0 HE2 MET A 51 11.729 0.971 -3.658 1.00 0.00 H new ATOM 0 HE3 MET A 51 13.452 1.150 -4.068 1.00 0.00 H new ATOM 807 N MET A 52 7.801 5.237 -4.302 1.00 0.00 N ATOM 808 CA MET A 52 6.436 5.582 -4.680 1.00 0.00 C ATOM 809 C MET A 52 6.147 7.052 -4.395 1.00 0.00 C ATOM 810 O MET A 52 5.518 7.737 -5.199 1.00 0.00 O ATOM 811 CB MET A 52 5.437 4.699 -3.930 1.00 0.00 C ATOM 812 CG MET A 52 5.454 3.246 -4.377 1.00 0.00 C ATOM 813 SD MET A 52 4.186 2.255 -3.565 1.00 0.00 S ATOM 814 CE MET A 52 2.816 2.460 -4.702 1.00 0.00 C ATOM 0 H MET A 52 7.876 4.431 -3.681 1.00 0.00 H new ATOM 0 HA MET A 52 6.329 5.410 -5.751 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.654 4.745 -2.863 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.434 5.101 -4.069 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.310 3.200 -5.456 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.434 2.817 -4.168 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.901 2.646 -4.140 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.014 3.304 -5.362 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.698 1.554 -5.297 1.00 0.00 H new ATOM 824 N GLU A 53 6.611 7.528 -3.244 1.00 0.00 N ATOM 825 CA GLU A 53 6.402 8.918 -2.852 1.00 0.00 C ATOM 826 C GLU A 53 6.835 9.867 -3.965 1.00 0.00 C ATOM 827 O GLU A 53 6.201 10.896 -4.198 1.00 0.00 O ATOM 828 CB GLU A 53 7.174 9.232 -1.569 1.00 0.00 C ATOM 829 CG GLU A 53 6.410 8.892 -0.301 1.00 0.00 C ATOM 830 CD GLU A 53 5.416 9.969 0.088 1.00 0.00 C ATOM 831 OE1 GLU A 53 5.710 11.159 -0.148 1.00 0.00 O ATOM 832 OE2 GLU A 53 4.345 9.622 0.629 1.00 0.00 O ATOM 0 H GLU A 53 7.134 6.973 -2.567 1.00 0.00 H new ATOM 0 HA GLU A 53 5.337 9.061 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.114 8.680 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.427 10.292 -1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.882 7.949 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.117 8.743 0.515 1.00 0.00 H new ATOM 839 N GLU A 54 7.919 9.515 -4.648 1.00 0.00 N ATOM 840 CA GLU A 54 8.438 10.336 -5.735 1.00 0.00 C ATOM 841 C GLU A 54 7.715 10.029 -7.043 1.00 0.00 C ATOM 842 O GLU A 54 7.354 10.935 -7.794 1.00 0.00 O ATOM 843 CB GLU A 54 9.941 10.106 -5.905 1.00 0.00 C ATOM 844 CG GLU A 54 10.758 10.484 -4.680 1.00 0.00 C ATOM 845 CD GLU A 54 12.251 10.446 -4.940 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.800 9.335 -5.091 1.00 0.00 O ATOM 847 OE2 GLU A 54 12.871 11.528 -4.993 1.00 0.00 O ATOM 0 H GLU A 54 8.455 8.666 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 54 8.264 11.381 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.115 9.055 -6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.294 10.684 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.475 11.485 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.518 9.803 -3.863 1.00 0.00 H new ATOM 854 N LYS A 55 7.507 8.744 -7.309 1.00 0.00 N ATOM 855 CA LYS A 55 6.826 8.314 -8.525 1.00 0.00 C ATOM 856 C LYS A 55 5.463 8.987 -8.652 1.00 0.00 C ATOM 857 O LYS A 55 5.205 9.715 -9.612 1.00 0.00 O ATOM 858 CB LYS A 55 6.658 6.793 -8.529 1.00 0.00 C ATOM 859 CG LYS A 55 7.944 6.040 -8.822 1.00 0.00 C ATOM 860 CD LYS A 55 8.217 5.961 -10.314 1.00 0.00 C ATOM 861 CE LYS A 55 7.328 4.929 -10.990 1.00 0.00 C ATOM 862 NZ LYS A 55 7.102 5.248 -12.427 1.00 0.00 N ATOM 0 H LYS A 55 7.800 7.981 -6.698 1.00 0.00 H new ATOM 0 HA LYS A 55 7.438 8.608 -9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.274 6.476 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.910 6.520 -9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.778 6.535 -8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.879 5.033 -8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.051 6.938 -10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.264 5.706 -10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.786 3.943 -10.904 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.369 4.881 -10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.491 4.521 -12.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.642 6.177 -12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.014 5.269 -12.926 1.00 0.00 H new ATOM 876 N PHE A 56 4.594 8.742 -7.677 1.00 0.00 N ATOM 877 CA PHE A 56 3.256 9.324 -7.680 1.00 0.00 C ATOM 878 C PHE A 56 3.102 10.337 -6.548 1.00 0.00 C ATOM 879 O PHE A 56 2.595 10.028 -5.469 1.00 0.00 O ATOM 880 CB PHE A 56 2.199 8.228 -7.546 1.00 0.00 C ATOM 881 CG PHE A 56 2.624 6.910 -8.126 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.403 6.623 -9.464 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.247 5.958 -7.335 1.00 0.00 C ATOM 884 CE1 PHE A 56 2.794 5.410 -10.000 1.00 0.00 C ATOM 885 CE2 PHE A 56 3.640 4.744 -7.866 1.00 0.00 C ATOM 886 CZ PHE A 56 3.414 4.470 -9.200 1.00 0.00 C ATOM 0 H PHE A 56 4.792 8.144 -6.874 1.00 0.00 H new ATOM 0 HA PHE A 56 3.114 9.841 -8.629 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.961 8.092 -6.491 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.284 8.555 -8.040 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.920 7.355 -10.095 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.428 6.167 -6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.615 5.198 -11.044 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.123 4.010 -7.238 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.721 3.523 -9.617 1.00 0.00 H new ATOM 896 N PRO A 57 3.551 11.576 -6.798 1.00 0.00 N ATOM 897 CA PRO A 57 3.475 12.660 -5.814 1.00 0.00 C ATOM 898 C PRO A 57 2.043 13.122 -5.571 1.00 0.00 C ATOM 899 O PRO A 57 1.800 14.034 -4.782 1.00 0.00 O ATOM 900 CB PRO A 57 4.297 13.780 -6.454 1.00 0.00 C ATOM 901 CG PRO A 57 4.229 13.511 -7.919 1.00 0.00 C ATOM 902 CD PRO A 57 4.168 12.015 -8.061 1.00 0.00 C ATOM 0 HA PRO A 57 3.843 12.349 -4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.886 14.760 -6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.327 13.769 -6.097 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.351 13.982 -8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.101 13.917 -8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.572 11.717 -8.924 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.160 11.583 -8.195 1.00 0.00 H new ATOM 910 N ALA A 58 1.096 12.486 -6.254 1.00 0.00 N ATOM 911 CA ALA A 58 -0.313 12.831 -6.111 1.00 0.00 C ATOM 912 C ALA A 58 -0.959 12.039 -4.980 1.00 0.00 C ATOM 913 O ALA A 58 -1.546 12.614 -4.063 1.00 0.00 O ATOM 914 CB ALA A 58 -1.051 12.587 -7.418 1.00 0.00 C ATOM 0 H ALA A 58 1.280 11.729 -6.912 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.379 13.890 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.102 12.849 -7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.612 13.202 -8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.968 11.535 -7.692 1.00 0.00 H new ATOM 920 N ASP A 59 -0.848 10.717 -5.051 1.00 0.00 N ATOM 921 CA ASP A 59 -1.423 9.845 -4.033 1.00 0.00 C ATOM 922 C ASP A 59 -0.326 9.178 -3.208 1.00 0.00 C ATOM 923 O ASP A 59 -0.597 8.577 -2.168 1.00 0.00 O ATOM 924 CB ASP A 59 -2.309 8.782 -4.681 1.00 0.00 C ATOM 925 CG ASP A 59 -1.774 8.321 -6.023 1.00 0.00 C ATOM 926 OD1 ASP A 59 -0.671 7.736 -6.053 1.00 0.00 O ATOM 927 OD2 ASP A 59 -2.458 8.547 -7.043 1.00 0.00 O ATOM 0 H ASP A 59 -0.365 10.226 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.033 10.457 -3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.391 7.925 -4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.314 9.182 -4.812 1.00 0.00 H new ATOM 932 N SER A 60 0.911 9.286 -3.681 1.00 0.00 N ATOM 933 CA SER A 60 2.048 8.689 -2.990 1.00 0.00 C ATOM 934 C SER A 60 1.901 7.171 -2.913 1.00 0.00 C ATOM 935 O SER A 60 2.353 6.541 -1.958 1.00 0.00 O ATOM 936 CB SER A 60 2.181 9.272 -1.582 1.00 0.00 C ATOM 937 OG SER A 60 2.177 10.688 -1.614 1.00 0.00 O ATOM 0 H SER A 60 1.152 9.781 -4.540 1.00 0.00 H new ATOM 0 HA SER A 60 2.949 8.921 -3.558 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.360 8.917 -0.959 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.105 8.918 -1.124 1.00 0.00 H new ATOM 0 HG SER A 60 2.262 11.036 -0.702 1.00 0.00 H new ATOM 943 N GLY A 61 1.265 6.592 -3.927 1.00 0.00 N ATOM 944 CA GLY A 61 1.069 5.155 -3.956 1.00 0.00 C ATOM 945 C GLY A 61 -0.163 4.722 -3.186 1.00 0.00 C ATOM 946 O GLY A 61 -0.600 3.575 -3.292 1.00 0.00 O ATOM 0 H GLY A 61 0.882 7.093 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.982 4.824 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.947 4.663 -3.537 1.00 0.00 H new ATOM 950 N LEU A 62 -0.725 5.641 -2.408 1.00 0.00 N ATOM 951 CA LEU A 62 -1.914 5.348 -1.615 1.00 0.00 C ATOM 952 C LEU A 62 -2.900 4.493 -2.406 1.00 0.00 C ATOM 953 O LEU A 62 -3.389 3.477 -1.915 1.00 0.00 O ATOM 954 CB LEU A 62 -2.589 6.648 -1.174 1.00 0.00 C ATOM 955 CG LEU A 62 -4.032 6.522 -0.681 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.079 5.788 0.649 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.675 7.894 -0.558 1.00 0.00 C ATOM 0 H LEU A 62 -0.377 6.595 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.603 4.789 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.992 7.092 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.572 7.345 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.596 5.943 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.113 5.708 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.658 4.790 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.499 6.339 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.701 7.785 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.110 8.498 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.676 8.384 -1.532 1.00 0.00 H new ATOM 969 N GLY A 63 -3.184 4.912 -3.636 1.00 0.00 N ATOM 970 CA GLY A 63 -4.108 4.172 -4.476 1.00 0.00 C ATOM 971 C GLY A 63 -3.644 2.752 -4.736 1.00 0.00 C ATOM 972 O GLY A 63 -4.333 1.793 -4.390 1.00 0.00 O ATOM 0 H GLY A 63 -2.791 5.750 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.088 4.149 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.227 4.692 -5.427 1.00 0.00 H new ATOM 976 N LYS A 64 -2.474 2.617 -5.351 1.00 0.00 N ATOM 977 CA LYS A 64 -1.918 1.304 -5.659 1.00 0.00 C ATOM 978 C LYS A 64 -2.052 0.363 -4.467 1.00 0.00 C ATOM 979 O LYS A 64 -2.294 -0.833 -4.631 1.00 0.00 O ATOM 980 CB LYS A 64 -0.446 1.432 -6.058 1.00 0.00 C ATOM 981 CG LYS A 64 0.061 0.268 -6.892 1.00 0.00 C ATOM 982 CD LYS A 64 -0.454 0.338 -8.319 1.00 0.00 C ATOM 983 CE LYS A 64 0.351 1.320 -9.156 1.00 0.00 C ATOM 984 NZ LYS A 64 -0.176 1.430 -10.543 1.00 0.00 N ATOM 0 H LYS A 64 -1.892 3.401 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.480 0.886 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.309 2.357 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.161 1.513 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.151 0.271 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.253 -0.671 -6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.407 -0.652 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.502 0.637 -8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.333 2.301 -8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.393 1.001 -9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.400 2.109 -11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.135 0.499 -11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.162 1.759 -10.515 1.00 0.00 H new ATOM 998 N LEU A 65 -1.895 0.911 -3.266 1.00 0.00 N ATOM 999 CA LEU A 65 -2.001 0.119 -2.045 1.00 0.00 C ATOM 1000 C LEU A 65 -3.448 -0.282 -1.779 1.00 0.00 C ATOM 1001 O LEU A 65 -3.752 -1.463 -1.600 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.452 0.908 -0.854 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.436 0.175 0.487 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.785 0.295 1.177 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -1.066 -1.288 0.291 1.00 0.00 C ATOM 0 H LEU A 65 -1.694 1.899 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.411 -0.788 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.434 1.218 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.044 1.816 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.682 0.639 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.754 -0.233 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.012 1.347 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.557 -0.142 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.060 -1.794 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.797 -1.764 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.076 -1.356 -0.161 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.337 0.705 -1.758 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.751 0.453 -1.518 1.00 0.00 C ATOM 1019 C ILE A 66 -6.248 -0.726 -2.347 1.00 0.00 C ATOM 1020 O ILE A 66 -6.751 -1.709 -1.805 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.607 1.692 -1.845 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.414 2.769 -0.775 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.075 1.307 -1.959 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -6.983 4.115 -1.162 1.00 0.00 C ATOM 0 H ILE A 66 -4.102 1.687 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.854 0.219 -0.459 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.283 2.097 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.884 2.438 0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.349 2.879 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.667 2.193 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.198 0.571 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.414 0.881 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.810 4.829 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.496 4.468 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.054 4.020 -1.338 1.00 0.00 H new ATOM 1036 N GLU A 67 -6.102 -0.621 -3.665 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.535 -1.680 -4.568 1.00 0.00 C ATOM 1038 C GLU A 67 -5.973 -3.030 -4.132 1.00 0.00 C ATOM 1039 O GLU A 67 -6.684 -4.035 -4.114 1.00 0.00 O ATOM 1040 CB GLU A 67 -6.096 -1.370 -6.000 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.887 -0.249 -6.651 1.00 0.00 C ATOM 1042 CD GLU A 67 -6.790 -0.268 -8.165 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -5.807 -0.833 -8.688 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -7.697 0.280 -8.824 1.00 0.00 O ATOM 0 H GLU A 67 -5.687 0.187 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.623 -1.731 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.039 -1.103 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.195 -2.272 -6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.933 -0.330 -6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.524 0.709 -6.280 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.691 -3.046 -3.782 1.00 0.00 N ATOM 1052 CA PHE A 68 -4.032 -4.272 -3.348 1.00 0.00 C ATOM 1053 C PHE A 68 -4.731 -4.862 -2.126 1.00 0.00 C ATOM 1054 O PHE A 68 -4.698 -6.072 -1.902 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.561 -4.000 -3.027 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.867 -5.156 -2.368 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.398 -6.220 -3.120 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.685 -5.180 -0.994 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.758 -7.287 -2.517 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -1.045 -6.244 -0.385 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.583 -7.299 -1.146 1.00 0.00 C ATOM 0 H PHE A 68 -4.088 -2.223 -3.791 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.091 -4.994 -4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.037 -3.750 -3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.495 -3.128 -2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.534 -6.216 -4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.047 -4.359 -0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.396 -8.109 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.907 -6.250 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.086 -8.132 -0.671 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.360 -3.998 -1.338 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.067 -4.431 -0.138 1.00 0.00 C ATOM 1073 C CYS A 69 -7.474 -4.911 -0.477 1.00 0.00 C ATOM 1074 O CYS A 69 -8.097 -5.632 0.300 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.135 -3.290 0.879 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.538 -2.852 1.605 1.00 0.00 S ATOM 0 H CYS A 69 -5.395 -2.993 -1.508 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.515 -5.264 0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.555 -2.409 0.393 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.821 -3.571 1.678 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.698 -1.877 2.450 1.00 0.00 H new ATOM 1082 N GLU A 70 -7.967 -4.503 -1.643 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.302 -4.891 -2.083 1.00 0.00 C ATOM 1084 C GLU A 70 -9.300 -6.309 -2.645 1.00 0.00 C ATOM 1085 O GLU A 70 -10.250 -7.066 -2.449 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.818 -3.912 -3.141 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.010 -2.498 -2.619 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.380 -1.518 -3.716 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -11.041 -1.938 -4.689 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -10.012 -0.330 -3.600 1.00 0.00 O ATOM 0 H GLU A 70 -7.463 -3.905 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.964 -4.863 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.118 -3.890 -3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.768 -4.279 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.791 -2.498 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.092 -2.166 -2.134 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.225 -6.660 -3.344 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.099 -7.987 -3.935 1.00 0.00 C ATOM 1099 C GLU A 71 -8.067 -9.064 -2.854 1.00 0.00 C ATOM 1100 O GLU A 71 -8.195 -10.255 -3.143 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.835 -8.072 -4.791 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.589 -8.439 -4.003 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.312 -8.216 -4.791 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -3.831 -7.065 -4.830 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -3.794 -9.196 -5.369 1.00 0.00 O ATOM 0 H GLU A 71 -7.430 -6.045 -3.515 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.970 -8.157 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.988 -8.811 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.674 -7.112 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.555 -7.847 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.648 -9.485 -3.703 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.894 -8.637 -1.607 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.846 -9.563 -0.482 1.00 0.00 C ATOM 1114 C VAL A 72 -9.047 -9.375 0.437 1.00 0.00 C ATOM 1115 O VAL A 72 -9.436 -8.255 0.770 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.553 -9.384 0.337 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.218 -10.660 1.094 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.401 -8.974 -0.569 1.00 0.00 C ATOM 0 H VAL A 72 -7.785 -7.656 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.867 -10.570 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.713 -8.590 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.302 -10.514 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.035 -10.905 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.077 -11.477 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.496 -8.852 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.239 -9.745 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.642 -8.031 -1.060 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.649 -10.496 0.860 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.816 -10.482 1.748 1.00 0.00 C ATOM 1130 C PRO A 73 -10.465 -10.022 3.159 1.00 0.00 C ATOM 1131 O PRO A 73 -11.347 -9.719 3.961 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.272 -11.943 1.760 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.045 -12.725 1.437 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.240 -11.864 0.504 1.00 0.00 C ATOM 0 HA PRO A 73 -11.581 -9.786 1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.676 -12.224 2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.058 -12.119 1.026 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.480 -12.956 2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.300 -13.676 0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.169 -12.012 0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.459 -12.090 -0.540 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.170 -9.974 3.455 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.702 -9.549 4.769 1.00 0.00 C ATOM 1144 C ALA A 74 -8.212 -8.105 4.736 1.00 0.00 C ATOM 1145 O ALA A 74 -8.248 -7.404 5.749 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.597 -10.472 5.259 1.00 0.00 C ATOM 0 H ALA A 74 -8.427 -10.224 2.803 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.541 -9.605 5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.257 -10.143 6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.978 -11.491 5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.763 -10.445 4.558 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.754 -7.666 3.569 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.255 -6.305 3.405 1.00 0.00 C ATOM 1154 C LEU A 75 -8.374 -5.365 2.965 1.00 0.00 C ATOM 1155 O LEU A 75 -8.301 -4.155 3.180 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.118 -6.277 2.383 1.00 0.00 C ATOM 1157 CG LEU A 75 -4.887 -7.116 2.725 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.739 -6.789 1.782 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.472 -6.888 4.172 1.00 0.00 C ATOM 0 H LEU A 75 -7.718 -8.233 2.722 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.876 -5.964 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.510 -6.617 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.802 -5.242 2.249 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.143 -8.168 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.871 -7.396 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.039 -7.003 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.483 -5.733 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.594 -7.493 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.235 -5.835 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.290 -7.173 4.834 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.407 -5.931 2.349 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.541 -5.144 1.879 1.00 0.00 C ATOM 1173 C ARG A 76 -11.040 -4.205 2.973 1.00 0.00 C ATOM 1174 O ARG A 76 -11.573 -3.131 2.690 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.675 -6.065 1.426 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.607 -6.434 -0.047 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.540 -7.589 -0.376 1.00 0.00 C ATOM 1178 NE ARG A 76 -12.993 -7.548 -1.764 1.00 0.00 N ATOM 1179 CZ ARG A 76 -13.778 -6.594 -2.254 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -14.195 -5.608 -1.472 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -14.148 -6.627 -3.527 1.00 0.00 N ATOM 0 H ARG A 76 -9.482 -6.931 2.164 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.209 -4.544 1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.651 -6.977 2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.629 -5.578 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.872 -5.567 -0.653 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.584 -6.705 -0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.028 -8.533 -0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.404 -7.558 0.288 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.690 -8.293 -2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.913 -5.580 -0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.797 -4.877 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.830 -7.385 -4.131 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.750 -5.894 -3.902 1.00 0.00 H new ATOM 1195 N LYS A 77 -10.867 -4.616 4.225 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.299 -3.813 5.363 1.00 0.00 C ATOM 1197 C LYS A 77 -10.531 -2.497 5.421 1.00 0.00 C ATOM 1198 O LYS A 77 -11.128 -1.423 5.516 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.100 -4.590 6.667 1.00 0.00 C ATOM 1200 CG LYS A 77 -11.145 -3.716 7.908 1.00 0.00 C ATOM 1201 CD LYS A 77 -12.527 -3.120 8.120 1.00 0.00 C ATOM 1202 CE LYS A 77 -13.402 -4.031 8.968 1.00 0.00 C ATOM 1203 NZ LYS A 77 -12.915 -4.117 10.373 1.00 0.00 N ATOM 0 H LYS A 77 -10.430 -5.502 4.477 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.359 -3.591 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.871 -5.357 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.140 -5.105 6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.865 -4.306 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.412 -2.914 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.435 -2.148 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.004 -2.951 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.427 -3.660 8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.421 -5.028 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.703 -4.383 10.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.165 -4.835 10.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.537 -3.194 10.666 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.207 -2.585 5.363 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.360 -1.400 5.410 1.00 0.00 C ATOM 1219 C ARG A 78 -8.603 -0.510 4.194 1.00 0.00 C ATOM 1220 O ARG A 78 -8.605 0.716 4.301 1.00 0.00 O ATOM 1221 CB ARG A 78 -6.885 -1.804 5.472 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.484 -2.445 6.791 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.173 -1.396 7.847 1.00 0.00 C ATOM 1224 NE ARG A 78 -6.031 -1.984 9.177 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.005 -2.747 9.538 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -4.035 -3.011 8.673 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -4.946 -3.245 10.766 1.00 0.00 N ATOM 0 H ARG A 78 -8.697 -3.465 5.283 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.614 -0.837 6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.673 -2.500 4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.268 -0.921 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.289 -3.090 7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.611 -3.079 6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.253 -0.875 7.581 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.968 -0.651 7.863 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.760 -1.799 9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.076 -2.628 7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.248 -3.597 8.952 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.689 -3.042 11.435 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.158 -3.831 11.042 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.806 -1.135 3.040 1.00 0.00 N ATOM 1242 CA ALA A 79 -9.052 -0.400 1.806 1.00 0.00 C ATOM 1243 C ALA A 79 -10.200 0.590 1.976 1.00 0.00 C ATOM 1244 O ALA A 79 -10.000 1.802 1.904 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.350 -1.365 0.668 1.00 0.00 C ATOM 0 H ALA A 79 -8.805 -2.149 2.934 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.152 0.165 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.532 -0.803 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.499 -2.030 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.233 -1.955 0.913 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.400 0.065 2.200 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.579 0.905 2.379 1.00 0.00 C ATOM 1253 C GLU A 80 -12.303 2.026 3.376 1.00 0.00 C ATOM 1254 O GLU A 80 -12.844 3.125 3.255 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.764 0.063 2.857 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.466 -0.758 4.099 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.698 -1.448 4.652 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.634 -1.707 3.868 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.724 -1.730 5.868 1.00 0.00 O ATOM 0 H GLU A 80 -11.582 -0.937 2.262 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.824 1.352 1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.608 0.722 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -14.070 -0.607 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.710 -1.507 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.043 -0.109 4.866 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.457 1.739 4.360 1.00 0.00 N ATOM 1267 CA ILE A 81 -11.108 2.722 5.378 1.00 0.00 C ATOM 1268 C ILE A 81 -10.234 3.828 4.796 1.00 0.00 C ATOM 1269 O ILE A 81 -10.458 5.012 5.053 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.371 2.070 6.563 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.313 1.136 7.325 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.810 3.137 7.490 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.616 0.297 8.372 1.00 0.00 C ATOM 0 H ILE A 81 -11.001 0.834 4.474 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.044 3.151 5.736 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.540 1.481 6.175 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.090 1.730 7.806 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.810 0.476 6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.292 2.660 8.322 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.110 3.766 6.940 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.625 3.751 7.874 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.345 -0.341 8.872 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.858 -0.324 7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.142 0.950 9.105 1.00 0.00 H new ATOM 1285 N LEU A 82 -9.236 3.436 4.012 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.328 4.393 3.392 1.00 0.00 C ATOM 1287 C LEU A 82 -9.094 5.389 2.525 1.00 0.00 C ATOM 1288 O LEU A 82 -8.744 6.567 2.458 1.00 0.00 O ATOM 1289 CB LEU A 82 -7.283 3.663 2.546 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.344 2.723 3.304 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.605 1.812 2.337 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.359 3.521 4.147 1.00 0.00 C ATOM 0 H LEU A 82 -9.035 2.461 3.791 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.823 4.943 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.803 3.086 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.679 4.408 2.028 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.942 2.101 3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.942 1.151 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.325 1.216 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.017 2.416 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.698 2.837 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.766 4.167 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.906 4.131 4.866 1.00 0.00 H new ATOM 1304 N LYS A 83 -10.142 4.907 1.867 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.960 5.753 1.007 1.00 0.00 C ATOM 1306 C LYS A 83 -11.742 6.771 1.831 1.00 0.00 C ATOM 1307 O LYS A 83 -11.993 7.889 1.381 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.927 4.897 0.184 1.00 0.00 C ATOM 1309 CG LYS A 83 -11.237 4.022 -0.848 1.00 0.00 C ATOM 1310 CD LYS A 83 -12.106 2.843 -1.250 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.736 2.324 -2.632 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.423 3.086 -3.711 1.00 0.00 N ATOM 0 H LYS A 83 -10.445 3.934 1.913 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.295 6.291 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.503 4.263 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.637 5.551 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.999 4.617 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.292 3.658 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.997 2.043 -0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.154 3.142 -1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.657 2.393 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.000 1.269 -2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.146 2.703 -4.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.453 3.000 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.151 4.088 -3.655 1.00 0.00 H new ATOM 1326 N LYS A 84 -12.124 6.377 3.042 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.875 7.256 3.930 1.00 0.00 C ATOM 1328 C LYS A 84 -12.114 8.553 4.183 1.00 0.00 C ATOM 1329 O LYS A 84 -12.715 9.619 4.319 1.00 0.00 O ATOM 1330 CB LYS A 84 -13.157 6.550 5.259 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.946 7.398 6.242 1.00 0.00 C ATOM 1332 CD LYS A 84 -13.942 6.787 7.634 1.00 0.00 C ATOM 1333 CE LYS A 84 -14.147 7.846 8.707 1.00 0.00 C ATOM 1334 NZ LYS A 84 -14.815 7.288 9.915 1.00 0.00 N ATOM 0 H LYS A 84 -11.926 5.455 3.430 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.821 7.499 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.707 5.630 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.210 6.264 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.520 8.401 6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.973 7.502 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.730 6.037 7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.996 6.273 7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.183 8.270 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.748 8.661 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.937 8.040 10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.746 6.906 9.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.229 6.527 10.315 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.790 8.456 4.243 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.949 9.623 4.478 1.00 0.00 C ATOM 1350 C GLU A 85 -9.552 10.282 3.160 1.00 0.00 C ATOM 1351 O GLU A 85 -9.714 11.491 2.984 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.694 9.227 5.260 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.989 8.701 6.655 1.00 0.00 C ATOM 1354 CD GLU A 85 -9.148 9.811 7.676 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -10.269 10.348 7.798 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -8.152 10.143 8.352 1.00 0.00 O ATOM 0 H GLU A 85 -10.277 7.581 4.132 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.523 10.340 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.152 8.465 4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.036 10.093 5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.900 8.104 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.182 8.038 6.967 1.00 0.00 H new