USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 550 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 44 GLN : amide:sc= 0.25 K(o=1.2,f=-5.2!) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 163:sc= 0.916 (180deg=0.207) USER MOD Set 1.3: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 53 CYS SG : rot 126:sc= 1.12 USER MOD Set 2.2: A 56 SER OG : rot -170:sc= 0 USER MOD Set 2.3: A 61 CYS SG : rot 75:sc= 0.528 USER MOD Set 2.4: A 66 CYS SG : rot -159:sc= 0.557 USER MOD Set 2.5: A 70 HIS : no HE2:sc= 0.0963 K(o=2.3,f=1.4) USER MOD Set 3.1: A 19 CYS SG : rot 138:sc= 0.941 USER MOD Set 3.2: A 27 CYS SG : rot 137:sc= 0.724 USER MOD Set 3.3: A 34 CYS SG : rot 132:sc= 0.941 USER MOD Set 3.4: A 38 HIS : no HD1:sc= -0.264 K(o=2.3,f=0.67) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0521) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 23 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.056) USER MOD Single : A 26 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0131) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.62) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 65:sc= 0.581 USER MOD Single : A 74 HIS : no HD1:sc= 0.569 K(o=0.57,f=-2!) USER MOD Single : A 76 LYS NZ :NH3+ -156:sc= 0.0194 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.659 K(o=0.66,f=-0.017) USER MOD Single : A 82 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.723 7.523 11.006 1.00 0.00 N ATOM 143 CA ASP A 10 24.695 8.515 11.354 1.00 0.00 C ATOM 144 C ASP A 10 23.438 7.903 12.010 1.00 0.00 C ATOM 145 O ASP A 10 22.598 7.306 11.348 1.00 0.00 O ATOM 146 CB ASP A 10 24.324 9.236 10.044 1.00 0.00 C ATOM 147 CG ASP A 10 23.326 10.383 10.214 1.00 0.00 C ATOM 148 OD1 ASP A 10 22.796 10.846 9.176 1.00 0.00 O ATOM 149 OD2 ASP A 10 23.086 10.802 11.371 1.00 0.00 O ATOM 0 HA ASP A 10 25.097 9.197 12.103 1.00 0.00 H new ATOM 0 HB2 ASP A 10 25.234 9.627 9.589 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.907 8.508 9.348 1.00 0.00 H new ATOM 154 N THR A 11 23.246 8.085 13.317 1.00 0.00 N ATOM 155 CA THR A 11 22.059 7.580 14.051 1.00 0.00 C ATOM 156 C THR A 11 20.704 8.064 13.500 1.00 0.00 C ATOM 157 O THR A 11 19.686 7.399 13.713 1.00 0.00 O ATOM 158 CB THR A 11 22.134 7.949 15.542 1.00 0.00 C ATOM 159 OG1 THR A 11 22.338 9.339 15.682 1.00 0.00 O ATOM 160 CG2 THR A 11 23.291 7.240 16.246 1.00 0.00 C ATOM 0 H THR A 11 23.906 8.588 13.910 1.00 0.00 H new ATOM 0 HA THR A 11 22.096 6.500 13.909 1.00 0.00 H new ATOM 0 HB THR A 11 21.192 7.639 15.995 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.383 9.569 16.634 1.00 0.00 H new ATOM 0 HG21 THR A 11 23.309 7.528 17.297 1.00 0.00 H new ATOM 0 HG22 THR A 11 23.158 6.161 16.168 1.00 0.00 H new ATOM 0 HG23 THR A 11 24.232 7.525 15.776 1.00 0.00 H new ATOM 168 N LYS A 12 20.682 9.177 12.747 1.00 0.00 N ATOM 169 CA LYS A 12 19.477 9.777 12.141 1.00 0.00 C ATOM 170 C LYS A 12 18.739 8.832 11.186 1.00 0.00 C ATOM 171 O LYS A 12 17.518 8.926 11.055 1.00 0.00 O ATOM 172 CB LYS A 12 19.879 11.088 11.442 1.00 0.00 C ATOM 173 CG LYS A 12 18.692 11.919 10.932 1.00 0.00 C ATOM 174 CD LYS A 12 19.194 13.244 10.339 1.00 0.00 C ATOM 175 CE LYS A 12 18.067 14.071 9.711 1.00 0.00 C ATOM 176 NZ LYS A 12 17.529 13.426 8.494 1.00 0.00 N ATOM 0 H LYS A 12 21.530 9.703 12.535 1.00 0.00 H new ATOM 0 HA LYS A 12 18.763 9.982 12.939 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.460 11.694 12.137 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.532 10.853 10.601 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.143 11.358 10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.998 12.117 11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.676 13.829 11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.952 13.036 9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.265 14.204 10.437 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.440 15.065 9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.879 14.080 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.312 13.183 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.016 12.560 8.758 1.00 0.00 H new ATOM 190 N TRP A 13 19.452 7.906 10.538 1.00 0.00 N ATOM 191 CA TRP A 13 18.826 6.913 9.659 1.00 0.00 C ATOM 192 C TRP A 13 18.373 5.667 10.433 1.00 0.00 C ATOM 193 O TRP A 13 17.387 5.042 10.049 1.00 0.00 O ATOM 194 CB TRP A 13 19.754 6.568 8.493 1.00 0.00 C ATOM 195 CG TRP A 13 20.736 5.458 8.689 1.00 0.00 C ATOM 196 CD1 TRP A 13 22.038 5.614 9.006 1.00 0.00 C ATOM 197 CD2 TRP A 13 20.534 4.023 8.512 1.00 0.00 C ATOM 198 NE1 TRP A 13 22.661 4.383 9.042 1.00 0.00 N ATOM 199 CE2 TRP A 13 21.782 3.365 8.734 1.00 0.00 C ATOM 200 CE3 TRP A 13 19.428 3.215 8.161 1.00 0.00 C ATOM 201 CZ2 TRP A 13 21.921 1.975 8.610 1.00 0.00 C ATOM 202 CZ3 TRP A 13 19.564 1.819 8.033 1.00 0.00 C ATOM 203 CH2 TRP A 13 20.805 1.199 8.262 1.00 0.00 C ATOM 0 H TRP A 13 20.466 7.823 10.606 1.00 0.00 H new ATOM 0 HA TRP A 13 17.921 7.354 9.241 1.00 0.00 H new ATOM 0 HB2 TRP A 13 19.133 6.318 7.633 1.00 0.00 H new ATOM 0 HB3 TRP A 13 20.312 7.467 8.232 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.520 6.560 9.202 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.646 4.244 9.268 1.00 0.00 H new ATOM 0 HE3 TRP A 13 18.466 3.675 7.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 22.879 1.506 8.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 18.709 1.220 7.757 1.00 0.00 H new ATOM 0 HH2 TRP A 13 20.899 0.127 8.170 1.00 0.00 H new ATOM 214 N LEU A 14 19.052 5.336 11.542 1.00 0.00 N ATOM 215 CA LEU A 14 18.702 4.223 12.433 1.00 0.00 C ATOM 216 C LEU A 14 17.513 4.553 13.359 1.00 0.00 C ATOM 217 O LEU A 14 16.926 3.635 13.928 1.00 0.00 O ATOM 218 CB LEU A 14 19.916 3.833 13.298 1.00 0.00 C ATOM 219 CG LEU A 14 21.081 3.129 12.578 1.00 0.00 C ATOM 220 CD1 LEU A 14 22.216 2.930 13.585 1.00 0.00 C ATOM 221 CD2 LEU A 14 20.714 1.740 12.050 1.00 0.00 C ATOM 0 H LEU A 14 19.879 5.848 11.850 1.00 0.00 H new ATOM 0 HA LEU A 14 18.407 3.392 11.792 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.303 4.737 13.768 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.568 3.181 14.099 1.00 0.00 H new ATOM 0 HG LEU A 14 21.357 3.758 11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 14 23.053 2.432 13.096 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.541 3.899 13.963 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.863 2.317 14.414 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.579 1.299 11.554 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.409 1.104 12.881 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.893 1.826 11.339 1.00 0.00 H new ATOM 233 N THR A 15 17.152 5.826 13.564 1.00 0.00 N ATOM 234 CA THR A 15 16.070 6.198 14.500 1.00 0.00 C ATOM 235 C THR A 15 14.645 6.029 13.955 1.00 0.00 C ATOM 236 O THR A 15 14.379 6.206 12.765 1.00 0.00 O ATOM 237 CB THR A 15 16.182 7.669 14.948 1.00 0.00 C ATOM 238 OG1 THR A 15 16.679 8.523 13.940 1.00 0.00 O ATOM 239 CG2 THR A 15 17.094 7.797 16.159 1.00 0.00 C ATOM 0 H THR A 15 17.590 6.620 13.097 1.00 0.00 H new ATOM 0 HA THR A 15 16.216 5.499 15.323 1.00 0.00 H new ATOM 0 HB THR A 15 15.164 7.976 15.190 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.726 9.440 14.282 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.158 8.843 16.457 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.690 7.209 16.983 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.089 7.430 15.906 1.00 0.00 H new ATOM 247 N LEU A 16 13.710 5.751 14.876 1.00 0.00 N ATOM 248 CA LEU A 16 12.262 5.633 14.661 1.00 0.00 C ATOM 249 C LEU A 16 11.534 6.459 15.730 1.00 0.00 C ATOM 250 O LEU A 16 11.907 6.438 16.904 1.00 0.00 O ATOM 251 CB LEU A 16 11.828 4.153 14.710 1.00 0.00 C ATOM 252 CG LEU A 16 12.254 3.320 13.487 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.880 1.852 13.691 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.580 3.794 12.194 1.00 0.00 C ATOM 0 H LEU A 16 13.962 5.593 15.852 1.00 0.00 H new ATOM 0 HA LEU A 16 12.002 6.017 13.675 1.00 0.00 H new ATOM 0 HB2 LEU A 16 12.244 3.695 15.608 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.743 4.109 14.803 1.00 0.00 H new ATOM 0 HG LEU A 16 13.333 3.444 13.392 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.187 1.274 12.819 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.385 1.468 14.577 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.801 1.766 13.822 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.914 3.174 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.498 3.712 12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.849 4.833 12.003 1.00 0.00 H new ATOM 266 N GLU A 17 10.513 7.212 15.321 1.00 0.00 N ATOM 267 CA GLU A 17 9.738 8.085 16.213 1.00 0.00 C ATOM 268 C GLU A 17 8.773 7.315 17.130 1.00 0.00 C ATOM 269 O GLU A 17 8.230 6.267 16.771 1.00 0.00 O ATOM 270 CB GLU A 17 8.956 9.121 15.394 1.00 0.00 C ATOM 271 CG GLU A 17 9.875 10.156 14.734 1.00 0.00 C ATOM 272 CD GLU A 17 9.052 11.241 14.034 1.00 0.00 C ATOM 273 OE1 GLU A 17 8.474 12.088 14.757 1.00 0.00 O ATOM 274 OE2 GLU A 17 8.989 11.224 12.781 1.00 0.00 O ATOM 0 H GLU A 17 10.195 7.236 14.352 1.00 0.00 H new ATOM 0 HA GLU A 17 10.461 8.583 16.859 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.376 8.610 14.625 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.244 9.632 16.043 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.519 10.610 15.487 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.526 9.664 14.012 1.00 0.00 H new ATOM 281 N VAL A 18 8.536 7.879 18.315 1.00 0.00 N ATOM 282 CA VAL A 18 7.631 7.366 19.351 1.00 0.00 C ATOM 283 C VAL A 18 6.239 7.984 19.183 1.00 0.00 C ATOM 284 O VAL A 18 6.112 9.186 18.922 1.00 0.00 O ATOM 285 CB VAL A 18 8.210 7.671 20.749 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.277 7.264 21.894 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.537 6.927 20.942 1.00 0.00 C ATOM 0 H VAL A 18 8.991 8.748 18.594 1.00 0.00 H new ATOM 0 HA VAL A 18 7.537 6.285 19.248 1.00 0.00 H new ATOM 0 HB VAL A 18 8.345 8.752 20.786 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.745 7.506 22.848 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.334 7.804 21.805 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.087 6.192 21.845 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.938 7.148 21.931 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.369 5.854 20.850 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.249 7.249 20.182 1.00 0.00 H new ATOM 297 N CYS A 19 5.193 7.170 19.341 1.00 0.00 N ATOM 298 CA CYS A 19 3.799 7.597 19.231 1.00 0.00 C ATOM 299 C CYS A 19 3.473 8.695 20.267 1.00 0.00 C ATOM 300 O CYS A 19 3.676 8.528 21.478 1.00 0.00 O ATOM 301 CB CYS A 19 2.914 6.352 19.373 1.00 0.00 C ATOM 302 SG CYS A 19 1.163 6.668 18.982 1.00 0.00 S ATOM 0 H CYS A 19 5.294 6.177 19.553 1.00 0.00 H new ATOM 0 HA CYS A 19 3.607 8.052 18.259 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.291 5.569 18.715 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.990 5.975 20.393 1.00 0.00 H new ATOM 0 HG CYS A 19 0.694 5.687 18.269 1.00 0.00 H new ATOM 307 N ARG A 20 2.990 9.850 19.793 1.00 0.00 N ATOM 308 CA ARG A 20 2.658 11.001 20.653 1.00 0.00 C ATOM 309 C ARG A 20 1.512 10.685 21.616 1.00 0.00 C ATOM 310 O ARG A 20 1.561 11.068 22.783 1.00 0.00 O ATOM 311 CB ARG A 20 2.336 12.240 19.799 1.00 0.00 C ATOM 312 CG ARG A 20 3.440 12.650 18.805 1.00 0.00 C ATOM 313 CD ARG A 20 4.823 12.822 19.452 1.00 0.00 C ATOM 314 NE ARG A 20 5.750 13.523 18.545 1.00 0.00 N ATOM 315 CZ ARG A 20 6.505 12.988 17.599 1.00 0.00 C ATOM 316 NH1 ARG A 20 7.192 13.761 16.803 1.00 0.00 N ATOM 317 NH2 ARG A 20 6.616 11.704 17.390 1.00 0.00 N ATOM 0 H ARG A 20 2.817 10.017 18.802 1.00 0.00 H new ATOM 0 HA ARG A 20 3.536 11.219 21.262 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.418 12.050 19.242 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.137 13.080 20.465 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.507 11.897 18.020 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.155 13.586 18.325 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.726 13.382 20.382 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.231 11.845 19.710 1.00 0.00 H new ATOM 0 HE ARG A 20 5.817 14.534 18.660 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.146 14.774 16.911 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.775 13.352 16.073 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.102 11.046 17.975 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.217 11.359 16.642 1.00 0.00 H new ATOM 331 N GLU A 21 0.506 9.942 21.157 1.00 0.00 N ATOM 332 CA GLU A 21 -0.630 9.520 21.985 1.00 0.00 C ATOM 333 C GLU A 21 -0.225 8.480 23.042 1.00 0.00 C ATOM 334 O GLU A 21 -0.838 8.433 24.108 1.00 0.00 O ATOM 335 CB GLU A 21 -1.779 9.003 21.101 1.00 0.00 C ATOM 336 CG GLU A 21 -2.386 10.071 20.178 1.00 0.00 C ATOM 337 CD GLU A 21 -3.056 11.199 20.969 1.00 0.00 C ATOM 338 OE1 GLU A 21 -4.260 11.065 21.290 1.00 0.00 O ATOM 339 OE2 GLU A 21 -2.364 12.195 21.285 1.00 0.00 O ATOM 0 H GLU A 21 0.453 9.612 20.193 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.982 10.396 22.530 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.412 8.177 20.492 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.564 8.602 21.742 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.604 10.488 19.543 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.119 9.606 19.518 1.00 0.00 H new ATOM 346 N PHE A 22 0.820 7.679 22.808 1.00 0.00 N ATOM 347 CA PHE A 22 1.350 6.730 23.795 1.00 0.00 C ATOM 348 C PHE A 22 2.007 7.491 24.954 1.00 0.00 C ATOM 349 O PHE A 22 1.734 7.205 26.121 1.00 0.00 O ATOM 350 CB PHE A 22 2.335 5.782 23.102 1.00 0.00 C ATOM 351 CG PHE A 22 3.180 4.905 24.007 1.00 0.00 C ATOM 352 CD1 PHE A 22 2.581 3.893 24.781 1.00 0.00 C ATOM 353 CD2 PHE A 22 4.577 5.084 24.048 1.00 0.00 C ATOM 354 CE1 PHE A 22 3.377 3.071 25.600 1.00 0.00 C ATOM 355 CE2 PHE A 22 5.371 4.264 24.869 1.00 0.00 C ATOM 356 CZ PHE A 22 4.770 3.256 25.645 1.00 0.00 C ATOM 0 H PHE A 22 1.326 7.670 21.922 1.00 0.00 H new ATOM 0 HA PHE A 22 0.541 6.133 24.216 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.771 5.135 22.430 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.005 6.379 22.483 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.511 3.748 24.746 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.039 5.853 23.447 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.917 2.296 26.195 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.441 4.408 24.904 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.379 2.624 26.275 1.00 0.00 H new ATOM 366 N GLN A 23 2.814 8.516 24.645 1.00 0.00 N ATOM 367 CA GLN A 23 3.435 9.392 25.648 1.00 0.00 C ATOM 368 C GLN A 23 2.380 10.204 26.428 1.00 0.00 C ATOM 369 O GLN A 23 2.540 10.427 27.630 1.00 0.00 O ATOM 370 CB GLN A 23 4.456 10.322 24.970 1.00 0.00 C ATOM 371 CG GLN A 23 5.666 9.570 24.391 1.00 0.00 C ATOM 372 CD GLN A 23 6.559 8.966 25.475 1.00 0.00 C ATOM 373 OE1 GLN A 23 7.376 9.638 26.090 1.00 0.00 O ATOM 374 NE2 GLN A 23 6.442 7.685 25.763 1.00 0.00 N ATOM 0 H GLN A 23 3.056 8.762 23.685 1.00 0.00 H new ATOM 0 HA GLN A 23 3.954 8.765 26.373 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.961 10.873 24.170 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.806 11.057 25.695 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.314 8.776 23.732 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.255 10.254 23.780 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.766 7.109 25.261 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.027 7.270 26.488 1.00 0.00 H new ATOM 383 N ARG A 24 1.284 10.611 25.766 1.00 0.00 N ATOM 384 CA ARG A 24 0.150 11.334 26.379 1.00 0.00 C ATOM 385 C ARG A 24 -0.760 10.428 27.233 1.00 0.00 C ATOM 386 O ARG A 24 -1.563 10.933 28.019 1.00 0.00 O ATOM 387 CB ARG A 24 -0.637 12.060 25.266 1.00 0.00 C ATOM 388 CG ARG A 24 -1.498 13.217 25.803 1.00 0.00 C ATOM 389 CD ARG A 24 -2.051 14.107 24.679 1.00 0.00 C ATOM 390 NE ARG A 24 -3.124 13.451 23.908 1.00 0.00 N ATOM 391 CZ ARG A 24 -4.422 13.497 24.166 1.00 0.00 C ATOM 392 NH1 ARG A 24 -5.273 12.933 23.355 1.00 0.00 N ATOM 393 NH2 ARG A 24 -4.920 14.110 25.210 1.00 0.00 N ATOM 0 H ARG A 24 1.156 10.444 24.768 1.00 0.00 H new ATOM 0 HA ARG A 24 0.551 12.066 27.081 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.063 12.447 24.526 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.279 11.343 24.754 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.327 12.811 26.382 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.901 13.825 26.484 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.433 15.033 25.109 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.239 14.380 24.005 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.837 12.907 23.094 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.940 12.454 22.518 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.272 12.971 23.557 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.300 14.581 25.869 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.928 14.117 25.365 1.00 0.00 H new ATOM 407 N GLY A 25 -0.631 9.103 27.109 1.00 0.00 N ATOM 408 CA GLY A 25 -1.422 8.109 27.848 1.00 0.00 C ATOM 409 C GLY A 25 -2.821 7.876 27.259 1.00 0.00 C ATOM 410 O GLY A 25 -3.780 7.675 28.007 1.00 0.00 O ATOM 0 H GLY A 25 0.045 8.679 26.474 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.880 7.163 27.862 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.522 8.434 28.884 1.00 0.00 H new ATOM 414 N THR A 26 -2.946 7.938 25.928 1.00 0.00 N ATOM 415 CA THR A 26 -4.216 7.826 25.180 1.00 0.00 C ATOM 416 C THR A 26 -4.216 6.721 24.112 1.00 0.00 C ATOM 417 O THR A 26 -5.278 6.151 23.839 1.00 0.00 O ATOM 418 CB THR A 26 -4.552 9.183 24.522 1.00 0.00 C ATOM 419 OG1 THR A 26 -4.412 10.249 25.442 1.00 0.00 O ATOM 420 CG2 THR A 26 -5.978 9.261 23.973 1.00 0.00 C ATOM 0 H THR A 26 -2.141 8.072 25.316 1.00 0.00 H new ATOM 0 HA THR A 26 -4.977 7.547 25.909 1.00 0.00 H new ATOM 0 HB THR A 26 -3.844 9.268 23.697 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.917 11.026 25.122 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.143 10.241 23.526 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.119 8.489 23.217 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.689 9.108 24.785 1.00 0.00 H new ATOM 428 N CYS A 27 -3.064 6.380 23.515 1.00 0.00 N ATOM 429 CA CYS A 27 -2.967 5.324 22.495 1.00 0.00 C ATOM 430 C CYS A 27 -3.394 3.946 23.056 1.00 0.00 C ATOM 431 O CYS A 27 -3.068 3.597 24.198 1.00 0.00 O ATOM 432 CB CYS A 27 -1.539 5.304 21.921 1.00 0.00 C ATOM 433 SG CYS A 27 -1.447 4.401 20.338 1.00 0.00 S ATOM 0 H CYS A 27 -2.173 6.829 23.726 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.662 5.544 21.685 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.193 6.327 21.775 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.866 4.840 22.642 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.697 5.060 19.505 1.00 0.00 H new ATOM 438 N SER A 28 -4.124 3.168 22.249 1.00 0.00 N ATOM 439 CA SER A 28 -4.650 1.837 22.597 1.00 0.00 C ATOM 440 C SER A 28 -4.498 0.846 21.430 1.00 0.00 C ATOM 441 O SER A 28 -5.474 0.282 20.924 1.00 0.00 O ATOM 442 CB SER A 28 -6.121 1.941 23.049 1.00 0.00 C ATOM 443 OG SER A 28 -6.269 2.748 24.209 1.00 0.00 O ATOM 0 H SER A 28 -4.375 3.455 21.303 1.00 0.00 H new ATOM 0 HA SER A 28 -4.060 1.450 23.428 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.720 2.358 22.239 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.509 0.943 23.251 1.00 0.00 H new ATOM 0 HG SER A 28 -7.215 2.789 24.461 1.00 0.00 H new ATOM 449 N ARG A 29 -3.247 0.624 21.007 1.00 0.00 N ATOM 450 CA ARG A 29 -2.827 -0.292 19.926 1.00 0.00 C ATOM 451 C ARG A 29 -1.460 -0.913 20.261 1.00 0.00 C ATOM 452 O ARG A 29 -0.634 -0.239 20.886 1.00 0.00 O ATOM 453 CB ARG A 29 -2.683 0.476 18.593 1.00 0.00 C ATOM 454 CG ARG A 29 -3.999 1.025 18.021 1.00 0.00 C ATOM 455 CD ARG A 29 -3.766 1.849 16.745 1.00 0.00 C ATOM 456 NE ARG A 29 -3.336 1.033 15.591 1.00 0.00 N ATOM 457 CZ ARG A 29 -4.123 0.441 14.707 1.00 0.00 C ATOM 458 NH1 ARG A 29 -3.608 -0.145 13.663 1.00 0.00 N ATOM 459 NH2 ARG A 29 -5.427 0.413 14.819 1.00 0.00 N ATOM 0 H ARG A 29 -2.452 1.103 21.430 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.586 -1.068 19.832 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.993 1.307 18.741 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.231 -0.187 17.855 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.673 0.197 17.801 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.490 1.646 18.770 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.686 2.374 16.487 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.011 2.609 16.945 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.331 0.914 15.463 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.597 -0.148 13.527 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.216 -0.601 12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.880 0.861 15.615 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.990 -0.057 14.110 1.00 0.00 H new ATOM 473 N PRO A 30 -1.178 -2.162 19.848 1.00 0.00 N ATOM 474 CA PRO A 30 0.133 -2.769 20.063 1.00 0.00 C ATOM 475 C PRO A 30 1.167 -2.136 19.117 1.00 0.00 C ATOM 476 O PRO A 30 0.823 -1.667 18.029 1.00 0.00 O ATOM 477 CB PRO A 30 -0.067 -4.259 19.766 1.00 0.00 C ATOM 478 CG PRO A 30 -1.174 -4.261 18.713 1.00 0.00 C ATOM 479 CD PRO A 30 -2.049 -3.070 19.114 1.00 0.00 C ATOM 0 HA PRO A 30 0.509 -2.616 21.074 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.846 -4.721 19.391 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.360 -4.812 20.659 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.772 -4.143 17.707 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.737 -5.194 18.724 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.470 -2.582 18.235 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.887 -3.392 19.732 1.00 0.00 H new ATOM 487 N ASP A 31 2.448 -2.165 19.497 1.00 0.00 N ATOM 488 CA ASP A 31 3.562 -1.654 18.676 1.00 0.00 C ATOM 489 C ASP A 31 3.547 -2.245 17.247 1.00 0.00 C ATOM 490 O ASP A 31 3.861 -1.567 16.269 1.00 0.00 O ATOM 491 CB ASP A 31 4.874 -1.986 19.404 1.00 0.00 C ATOM 492 CG ASP A 31 6.103 -1.393 18.713 1.00 0.00 C ATOM 493 OD1 ASP A 31 6.674 -2.088 17.844 1.00 0.00 O ATOM 494 OD2 ASP A 31 6.492 -0.261 19.081 1.00 0.00 O ATOM 0 H ASP A 31 2.749 -2.548 20.393 1.00 0.00 H new ATOM 0 HA ASP A 31 3.461 -0.576 18.555 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.822 -1.611 20.426 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.985 -3.068 19.467 1.00 0.00 H new ATOM 499 N THR A 32 3.130 -3.509 17.135 1.00 0.00 N ATOM 500 CA THR A 32 2.964 -4.294 15.904 1.00 0.00 C ATOM 501 C THR A 32 1.961 -3.708 14.904 1.00 0.00 C ATOM 502 O THR A 32 2.071 -3.982 13.710 1.00 0.00 O ATOM 503 CB THR A 32 2.485 -5.712 16.273 1.00 0.00 C ATOM 504 OG1 THR A 32 3.144 -6.181 17.436 1.00 0.00 O ATOM 505 CG2 THR A 32 2.741 -6.750 15.177 1.00 0.00 C ATOM 0 H THR A 32 2.881 -4.052 17.962 1.00 0.00 H new ATOM 0 HA THR A 32 3.940 -4.290 15.418 1.00 0.00 H new ATOM 0 HB THR A 32 1.411 -5.610 16.426 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.824 -7.081 17.653 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.378 -7.724 15.506 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.217 -6.456 14.268 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.811 -6.810 14.976 1.00 0.00 H new ATOM 513 N GLU A 33 0.987 -2.909 15.354 1.00 0.00 N ATOM 514 CA GLU A 33 -0.062 -2.324 14.500 1.00 0.00 C ATOM 515 C GLU A 33 -0.101 -0.785 14.486 1.00 0.00 C ATOM 516 O GLU A 33 -0.684 -0.209 13.562 1.00 0.00 O ATOM 517 CB GLU A 33 -1.436 -2.885 14.905 1.00 0.00 C ATOM 518 CG GLU A 33 -1.544 -4.406 14.729 1.00 0.00 C ATOM 519 CD GLU A 33 -2.970 -4.889 15.020 1.00 0.00 C ATOM 520 OE1 GLU A 33 -3.745 -5.061 14.048 1.00 0.00 O ATOM 521 OE2 GLU A 33 -3.292 -5.088 16.215 1.00 0.00 O ATOM 0 H GLU A 33 0.901 -2.645 16.335 1.00 0.00 H new ATOM 0 HA GLU A 33 0.191 -2.615 13.480 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.632 -2.632 15.947 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.209 -2.401 14.308 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.263 -4.680 13.712 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.843 -4.905 15.398 1.00 0.00 H new ATOM 528 N CYS A 34 0.502 -0.107 15.469 1.00 0.00 N ATOM 529 CA CYS A 34 0.538 1.364 15.511 1.00 0.00 C ATOM 530 C CYS A 34 1.604 1.924 14.540 1.00 0.00 C ATOM 531 O CYS A 34 2.658 1.316 14.333 1.00 0.00 O ATOM 532 CB CYS A 34 0.757 1.831 16.958 1.00 0.00 C ATOM 533 SG CYS A 34 0.256 3.579 17.158 1.00 0.00 S ATOM 0 H CYS A 34 0.976 -0.556 16.253 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.420 1.759 15.172 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.182 1.203 17.639 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.807 1.716 17.227 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.493 3.698 18.214 1.00 0.00 H new ATOM 538 N LYS A 35 1.337 3.086 13.926 1.00 0.00 N ATOM 539 CA LYS A 35 2.207 3.757 12.933 1.00 0.00 C ATOM 540 C LYS A 35 3.584 4.201 13.458 1.00 0.00 C ATOM 541 O LYS A 35 4.466 4.512 12.653 1.00 0.00 O ATOM 542 CB LYS A 35 1.469 4.970 12.337 1.00 0.00 C ATOM 543 CG LYS A 35 0.217 4.572 11.532 1.00 0.00 C ATOM 544 CD LYS A 35 -0.528 5.782 10.949 1.00 0.00 C ATOM 545 CE LYS A 35 0.302 6.533 9.901 1.00 0.00 C ATOM 546 NZ LYS A 35 -0.464 7.656 9.320 1.00 0.00 N ATOM 0 H LYS A 35 0.480 3.608 14.110 1.00 0.00 H new ATOM 0 HA LYS A 35 2.416 3.001 12.176 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.178 5.644 13.143 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.151 5.522 11.690 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.510 3.906 10.720 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.460 4.011 12.176 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.461 5.447 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.793 6.465 11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.216 6.911 10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.602 5.846 9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.121 8.147 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.324 7.290 8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.729 8.322 10.073 1.00 0.00 H new ATOM 560 N PHE A 36 3.771 4.228 14.777 1.00 0.00 N ATOM 561 CA PHE A 36 4.991 4.654 15.472 1.00 0.00 C ATOM 562 C PHE A 36 5.384 3.674 16.598 1.00 0.00 C ATOM 563 O PHE A 36 4.728 2.651 16.808 1.00 0.00 O ATOM 564 CB PHE A 36 4.781 6.089 15.982 1.00 0.00 C ATOM 565 CG PHE A 36 4.612 7.122 14.882 1.00 0.00 C ATOM 566 CD1 PHE A 36 5.716 7.486 14.089 1.00 0.00 C ATOM 567 CD2 PHE A 36 3.354 7.708 14.639 1.00 0.00 C ATOM 568 CE1 PHE A 36 5.567 8.434 13.061 1.00 0.00 C ATOM 569 CE2 PHE A 36 3.204 8.654 13.608 1.00 0.00 C ATOM 570 CZ PHE A 36 4.311 9.018 12.820 1.00 0.00 C ATOM 0 H PHE A 36 3.039 3.939 15.426 1.00 0.00 H new ATOM 0 HA PHE A 36 5.832 4.644 14.779 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.899 6.110 16.623 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.632 6.371 16.602 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.681 7.036 14.270 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.504 7.431 15.245 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.417 8.713 12.457 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.239 9.101 13.422 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.196 9.746 12.030 1.00 0.00 H new ATOM 580 N ALA A 37 6.482 3.957 17.306 1.00 0.00 N ATOM 581 CA ALA A 37 7.034 3.059 18.321 1.00 0.00 C ATOM 582 C ALA A 37 6.470 3.299 19.740 1.00 0.00 C ATOM 583 O ALA A 37 6.193 4.434 20.134 1.00 0.00 O ATOM 584 CB ALA A 37 8.557 3.256 18.312 1.00 0.00 C ATOM 0 H ALA A 37 7.014 4.819 17.189 1.00 0.00 H new ATOM 0 HA ALA A 37 6.750 2.037 18.072 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.013 2.603 19.057 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.950 3.010 17.325 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.791 4.294 18.548 1.00 0.00 H new ATOM 590 N HIS A 38 6.341 2.214 20.512 1.00 0.00 N ATOM 591 CA HIS A 38 5.887 2.165 21.911 1.00 0.00 C ATOM 592 C HIS A 38 6.987 1.558 22.826 1.00 0.00 C ATOM 593 O HIS A 38 6.818 0.444 23.339 1.00 0.00 O ATOM 594 CB HIS A 38 4.550 1.398 22.014 1.00 0.00 C ATOM 595 CG HIS A 38 3.384 1.969 21.239 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.264 1.278 20.829 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.198 3.274 20.866 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.435 2.145 20.218 1.00 0.00 C ATOM 599 NE2 HIS A 38 1.965 3.379 20.209 1.00 0.00 N ATOM 0 H HIS A 38 6.565 1.285 20.155 1.00 0.00 H new ATOM 0 HA HIS A 38 5.708 3.181 22.262 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.716 0.375 21.676 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.267 1.344 23.065 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.887 4.086 21.048 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.477 1.884 19.794 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.554 4.221 19.806 1.00 0.00 H new ATOM 607 N PRO A 39 8.143 2.229 23.010 1.00 0.00 N ATOM 608 CA PRO A 39 9.265 1.722 23.805 1.00 0.00 C ATOM 609 C PRO A 39 9.020 1.749 25.323 1.00 0.00 C ATOM 610 O PRO A 39 8.139 2.448 25.829 1.00 0.00 O ATOM 611 CB PRO A 39 10.449 2.622 23.445 1.00 0.00 C ATOM 612 CG PRO A 39 9.766 3.962 23.179 1.00 0.00 C ATOM 613 CD PRO A 39 8.483 3.539 22.469 1.00 0.00 C ATOM 0 HA PRO A 39 9.432 0.670 23.574 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.172 2.688 24.258 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.986 2.258 22.569 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.560 4.504 24.102 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.379 4.614 22.557 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.682 4.256 22.649 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.631 3.490 21.390 1.00 0.00 H new ATOM 621 N SER A 40 9.868 1.023 26.053 1.00 0.00 N ATOM 622 CA SER A 40 9.902 0.965 27.519 1.00 0.00 C ATOM 623 C SER A 40 11.073 1.806 28.047 1.00 0.00 C ATOM 624 O SER A 40 11.990 2.159 27.300 1.00 0.00 O ATOM 625 CB SER A 40 10.046 -0.493 27.987 1.00 0.00 C ATOM 626 OG SER A 40 8.925 -1.261 27.575 1.00 0.00 O ATOM 0 H SER A 40 10.581 0.434 25.623 1.00 0.00 H new ATOM 0 HA SER A 40 8.969 1.369 27.912 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.960 -0.924 27.578 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.137 -0.525 29.073 1.00 0.00 H new ATOM 0 HG SER A 40 9.033 -2.186 27.879 1.00 0.00 H new ATOM 632 N LYS A 41 11.071 2.112 29.351 1.00 0.00 N ATOM 633 CA LYS A 41 12.109 2.924 30.028 1.00 0.00 C ATOM 634 C LYS A 41 13.544 2.399 29.864 1.00 0.00 C ATOM 635 O LYS A 41 14.500 3.171 29.958 1.00 0.00 O ATOM 636 CB LYS A 41 11.762 3.090 31.520 1.00 0.00 C ATOM 637 CG LYS A 41 10.471 3.896 31.740 1.00 0.00 C ATOM 638 CD LYS A 41 10.199 4.098 33.239 1.00 0.00 C ATOM 639 CE LYS A 41 8.891 4.858 33.492 1.00 0.00 C ATOM 640 NZ LYS A 41 8.963 6.259 33.027 1.00 0.00 N ATOM 0 H LYS A 41 10.335 1.799 29.984 1.00 0.00 H new ATOM 0 HA LYS A 41 12.099 3.892 29.527 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.654 2.106 31.976 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.588 3.588 32.028 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.554 4.865 31.248 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.630 3.376 31.281 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.155 3.127 33.733 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.028 4.646 33.687 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.072 4.349 32.983 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.663 4.842 34.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.083 6.754 33.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.769 6.734 33.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.087 6.276 31.995 1.00 0.00 H new ATOM 654 N SER A 42 13.694 1.101 29.604 1.00 0.00 N ATOM 655 CA SER A 42 14.979 0.420 29.378 1.00 0.00 C ATOM 656 C SER A 42 15.618 0.728 28.011 1.00 0.00 C ATOM 657 O SER A 42 16.825 0.528 27.848 1.00 0.00 O ATOM 658 CB SER A 42 14.791 -1.100 29.487 1.00 0.00 C ATOM 659 OG SER A 42 14.174 -1.443 30.721 1.00 0.00 O ATOM 0 H SER A 42 12.898 0.467 29.542 1.00 0.00 H new ATOM 0 HA SER A 42 15.652 0.799 30.147 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.180 -1.456 28.658 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.758 -1.598 29.407 1.00 0.00 H new ATOM 0 HG SER A 42 14.061 -2.415 30.771 1.00 0.00 H new ATOM 665 N CYS A 43 14.845 1.200 27.024 1.00 0.00 N ATOM 666 CA CYS A 43 15.343 1.518 25.682 1.00 0.00 C ATOM 667 C CYS A 43 16.030 2.899 25.616 1.00 0.00 C ATOM 668 O CYS A 43 15.817 3.761 26.472 1.00 0.00 O ATOM 669 CB CYS A 43 14.166 1.463 24.692 1.00 0.00 C ATOM 670 SG CYS A 43 13.429 -0.198 24.658 1.00 0.00 S ATOM 0 H CYS A 43 13.846 1.373 27.137 1.00 0.00 H new ATOM 0 HA CYS A 43 16.101 0.780 25.419 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.411 2.195 24.977 1.00 0.00 H new ATOM 0 HB3 CYS A 43 14.511 1.733 23.694 1.00 0.00 H new ATOM 0 HG CYS A 43 12.438 -0.216 23.817 1.00 0.00 H new ATOM 676 N GLN A 44 16.831 3.131 24.570 1.00 0.00 N ATOM 677 CA GLN A 44 17.551 4.385 24.281 1.00 0.00 C ATOM 678 C GLN A 44 16.613 5.517 23.777 1.00 0.00 C ATOM 679 O GLN A 44 16.886 6.175 22.772 1.00 0.00 O ATOM 680 CB GLN A 44 18.711 4.054 23.312 1.00 0.00 C ATOM 681 CG GLN A 44 19.783 5.149 23.159 1.00 0.00 C ATOM 682 CD GLN A 44 20.413 5.553 24.488 1.00 0.00 C ATOM 683 OE1 GLN A 44 21.272 4.873 25.029 1.00 0.00 O ATOM 684 NE2 GLN A 44 20.034 6.679 25.055 1.00 0.00 N ATOM 0 H GLN A 44 17.006 2.416 23.864 1.00 0.00 H new ATOM 0 HA GLN A 44 17.968 4.795 25.201 1.00 0.00 H new ATOM 0 HB2 GLN A 44 19.197 3.140 23.654 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.290 3.843 22.329 1.00 0.00 H new ATOM 0 HG2 GLN A 44 20.563 4.795 22.486 1.00 0.00 H new ATOM 0 HG3 GLN A 44 19.335 6.027 22.694 1.00 0.00 H new ATOM 0 HE21 GLN A 44 19.318 7.256 24.614 1.00 0.00 H new ATOM 0 HE22 GLN A 44 20.456 6.974 25.935 1.00 0.00 H new ATOM 693 N VAL A 45 15.474 5.728 24.446 1.00 0.00 N ATOM 694 CA VAL A 45 14.470 6.751 24.101 1.00 0.00 C ATOM 695 C VAL A 45 15.011 8.155 24.405 1.00 0.00 C ATOM 696 O VAL A 45 15.481 8.419 25.514 1.00 0.00 O ATOM 697 CB VAL A 45 13.143 6.537 24.863 1.00 0.00 C ATOM 698 CG1 VAL A 45 12.023 7.364 24.216 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.694 5.068 24.883 1.00 0.00 C ATOM 0 H VAL A 45 15.214 5.179 25.265 1.00 0.00 H new ATOM 0 HA VAL A 45 14.269 6.656 23.034 1.00 0.00 H new ATOM 0 HB VAL A 45 13.328 6.855 25.889 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.092 7.206 24.761 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.287 8.421 24.248 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.894 7.053 23.179 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.757 4.982 25.432 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.549 4.718 23.861 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.457 4.461 25.370 1.00 0.00 H new ATOM 709 N GLU A 46 14.950 9.062 23.431 1.00 0.00 N ATOM 710 CA GLU A 46 15.434 10.446 23.541 1.00 0.00 C ATOM 711 C GLU A 46 14.692 11.364 22.550 1.00 0.00 C ATOM 712 O GLU A 46 14.447 10.977 21.413 1.00 0.00 O ATOM 713 CB GLU A 46 16.952 10.431 23.272 1.00 0.00 C ATOM 714 CG GLU A 46 17.621 11.813 23.281 1.00 0.00 C ATOM 715 CD GLU A 46 19.151 11.687 23.237 1.00 0.00 C ATOM 716 OE1 GLU A 46 19.682 11.224 22.197 1.00 0.00 O ATOM 717 OE2 GLU A 46 19.800 12.050 24.247 1.00 0.00 O ATOM 0 H GLU A 46 14.552 8.853 22.516 1.00 0.00 H new ATOM 0 HA GLU A 46 15.240 10.843 24.537 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.434 9.805 24.023 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.131 9.963 22.304 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.276 12.393 22.425 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.324 12.359 24.176 1.00 0.00 H new ATOM 724 N ASN A 47 14.341 12.588 22.967 1.00 0.00 N ATOM 725 CA ASN A 47 13.663 13.619 22.156 1.00 0.00 C ATOM 726 C ASN A 47 12.517 13.124 21.224 1.00 0.00 C ATOM 727 O ASN A 47 12.342 13.625 20.111 1.00 0.00 O ATOM 728 CB ASN A 47 14.759 14.431 21.428 1.00 0.00 C ATOM 729 CG ASN A 47 14.260 15.760 20.875 1.00 0.00 C ATOM 730 OD1 ASN A 47 13.416 16.435 21.451 1.00 0.00 O ATOM 731 ND2 ASN A 47 14.780 16.199 19.749 1.00 0.00 N ATOM 0 H ASN A 47 14.528 12.904 23.919 1.00 0.00 H new ATOM 0 HA ASN A 47 13.099 14.259 22.834 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.581 14.619 22.119 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.161 13.833 20.610 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.480 17.094 19.363 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.484 15.644 19.262 1.00 0.00 H new ATOM 738 N GLY A 48 11.736 12.126 21.661 1.00 0.00 N ATOM 739 CA GLY A 48 10.607 11.561 20.900 1.00 0.00 C ATOM 740 C GLY A 48 10.961 10.471 19.874 1.00 0.00 C ATOM 741 O GLY A 48 10.126 10.148 19.026 1.00 0.00 O ATOM 0 H GLY A 48 11.871 11.680 22.568 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.890 11.146 21.608 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.104 12.375 20.377 1.00 0.00 H new ATOM 745 N ARG A 49 12.171 9.899 19.922 1.00 0.00 N ATOM 746 CA ARG A 49 12.662 8.836 19.018 1.00 0.00 C ATOM 747 C ARG A 49 13.552 7.818 19.741 1.00 0.00 C ATOM 748 O ARG A 49 13.997 8.051 20.864 1.00 0.00 O ATOM 749 CB ARG A 49 13.303 9.462 17.756 1.00 0.00 C ATOM 750 CG ARG A 49 14.313 10.607 17.954 1.00 0.00 C ATOM 751 CD ARG A 49 15.624 10.163 18.602 1.00 0.00 C ATOM 752 NE ARG A 49 16.576 11.281 18.698 1.00 0.00 N ATOM 753 CZ ARG A 49 17.733 11.248 19.335 1.00 0.00 C ATOM 754 NH1 ARG A 49 18.207 10.158 19.874 1.00 0.00 N ATOM 755 NH2 ARG A 49 18.453 12.329 19.457 1.00 0.00 N ATOM 0 H ARG A 49 12.867 10.171 20.617 1.00 0.00 H new ATOM 0 HA ARG A 49 11.812 8.247 18.675 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.804 8.666 17.205 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.498 9.832 17.121 1.00 0.00 H new ATOM 0 HG2 ARG A 49 14.531 11.059 16.986 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.856 11.380 18.572 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.424 9.766 19.597 1.00 0.00 H new ATOM 0 HD3 ARG A 49 16.066 9.355 18.019 1.00 0.00 H new ATOM 0 HE ARG A 49 16.322 12.153 18.235 1.00 0.00 H new ATOM 0 HH11 ARG A 49 17.679 9.287 19.812 1.00 0.00 H new ATOM 0 HH12 ARG A 49 19.105 10.177 20.357 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.124 13.209 19.059 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.345 12.295 19.950 1.00 0.00 H new ATOM 769 N VAL A 50 13.810 6.684 19.093 1.00 0.00 N ATOM 770 CA VAL A 50 14.670 5.602 19.604 1.00 0.00 C ATOM 771 C VAL A 50 15.531 5.104 18.456 1.00 0.00 C ATOM 772 O VAL A 50 15.037 4.946 17.340 1.00 0.00 O ATOM 773 CB VAL A 50 13.889 4.367 20.108 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.763 3.529 21.054 1.00 0.00 C ATOM 775 CG2 VAL A 50 12.580 4.679 20.813 1.00 0.00 C ATOM 0 H VAL A 50 13.420 6.480 18.173 1.00 0.00 H new ATOM 0 HA VAL A 50 15.231 6.024 20.438 1.00 0.00 H new ATOM 0 HB VAL A 50 13.634 3.816 19.203 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.198 2.663 21.400 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.654 3.193 20.524 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.058 4.136 21.910 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.106 3.750 21.129 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.776 5.301 21.686 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.917 5.210 20.130 1.00 0.00 H new ATOM 785 N ILE A 51 16.799 4.816 18.725 1.00 0.00 N ATOM 786 CA ILE A 51 17.700 4.218 17.737 1.00 0.00 C ATOM 787 C ILE A 51 17.315 2.729 17.626 1.00 0.00 C ATOM 788 O ILE A 51 17.227 2.041 18.645 1.00 0.00 O ATOM 789 CB ILE A 51 19.173 4.418 18.159 1.00 0.00 C ATOM 790 CG1 ILE A 51 19.478 5.888 18.542 1.00 0.00 C ATOM 791 CG2 ILE A 51 20.085 3.967 17.008 1.00 0.00 C ATOM 792 CD1 ILE A 51 20.908 6.133 19.023 1.00 0.00 C ATOM 0 H ILE A 51 17.234 4.989 19.631 1.00 0.00 H new ATOM 0 HA ILE A 51 17.601 4.695 16.762 1.00 0.00 H new ATOM 0 HB ILE A 51 19.360 3.815 19.048 1.00 0.00 H new ATOM 0 HG12 ILE A 51 19.285 6.523 17.678 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.786 6.197 19.326 1.00 0.00 H new ATOM 0 HG21 ILE A 51 21.128 4.104 17.295 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.903 2.914 16.791 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.872 4.562 16.120 1.00 0.00 H new ATOM 0 HD11 ILE A 51 21.033 7.187 19.269 1.00 0.00 H new ATOM 0 HD12 ILE A 51 21.103 5.528 19.908 1.00 0.00 H new ATOM 0 HD13 ILE A 51 21.609 5.859 18.235 1.00 0.00 H new ATOM 804 N ALA A 52 17.049 2.228 16.418 1.00 0.00 N ATOM 805 CA ALA A 52 16.684 0.829 16.186 1.00 0.00 C ATOM 806 C ALA A 52 17.928 -0.082 16.131 1.00 0.00 C ATOM 807 O ALA A 52 19.004 0.344 15.701 1.00 0.00 O ATOM 808 CB ALA A 52 15.865 0.730 14.895 1.00 0.00 C ATOM 0 H ALA A 52 17.081 2.787 15.565 1.00 0.00 H new ATOM 0 HA ALA A 52 16.079 0.480 17.023 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.590 -0.310 14.717 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.962 1.333 14.990 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.459 1.097 14.058 1.00 0.00 H new ATOM 814 N CYS A 53 17.777 -1.335 16.558 1.00 0.00 N ATOM 815 CA CYS A 53 18.839 -2.342 16.579 1.00 0.00 C ATOM 816 C CYS A 53 19.223 -2.766 15.143 1.00 0.00 C ATOM 817 O CYS A 53 18.422 -3.366 14.416 1.00 0.00 O ATOM 818 CB CYS A 53 18.341 -3.498 17.463 1.00 0.00 C ATOM 819 SG CYS A 53 19.577 -4.812 17.723 1.00 0.00 S ATOM 0 H CYS A 53 16.887 -1.688 16.909 1.00 0.00 H new ATOM 0 HA CYS A 53 19.764 -1.952 17.005 1.00 0.00 H new ATOM 0 HB2 CYS A 53 18.040 -3.099 18.432 1.00 0.00 H new ATOM 0 HB3 CYS A 53 17.452 -3.934 17.008 1.00 0.00 H new ATOM 0 HG CYS A 53 19.730 -5.018 18.997 1.00 0.00 H new ATOM 824 N PHE A 54 20.444 -2.435 14.710 1.00 0.00 N ATOM 825 CA PHE A 54 20.971 -2.767 13.380 1.00 0.00 C ATOM 826 C PHE A 54 20.999 -4.289 13.149 1.00 0.00 C ATOM 827 O PHE A 54 20.641 -4.767 12.071 1.00 0.00 O ATOM 828 CB PHE A 54 22.376 -2.164 13.219 1.00 0.00 C ATOM 829 CG PHE A 54 23.058 -2.478 11.903 1.00 0.00 C ATOM 830 CD1 PHE A 54 23.990 -3.531 11.838 1.00 0.00 C ATOM 831 CD2 PHE A 54 22.777 -1.720 10.750 1.00 0.00 C ATOM 832 CE1 PHE A 54 24.672 -3.798 10.639 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.444 -2.002 9.542 1.00 0.00 C ATOM 834 CZ PHE A 54 24.397 -3.035 9.490 1.00 0.00 C ATOM 0 H PHE A 54 21.108 -1.918 15.286 1.00 0.00 H new ATOM 0 HA PHE A 54 20.308 -2.339 12.628 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.305 -1.082 13.326 1.00 0.00 H new ATOM 0 HB3 PHE A 54 23.005 -2.524 14.033 1.00 0.00 H new ATOM 0 HD1 PHE A 54 24.181 -4.135 12.712 1.00 0.00 H new ATOM 0 HD2 PHE A 54 22.050 -0.922 10.792 1.00 0.00 H new ATOM 0 HE1 PHE A 54 25.407 -4.589 10.600 1.00 0.00 H new ATOM 0 HE2 PHE A 54 23.224 -1.425 8.656 1.00 0.00 H new ATOM 0 HZ PHE A 54 24.918 -3.242 8.567 1.00 0.00 H new ATOM 844 N ASP A 55 21.370 -5.066 14.170 1.00 0.00 N ATOM 845 CA ASP A 55 21.373 -6.530 14.097 1.00 0.00 C ATOM 846 C ASP A 55 19.937 -7.097 13.997 1.00 0.00 C ATOM 847 O ASP A 55 19.695 -8.052 13.251 1.00 0.00 O ATOM 848 CB ASP A 55 22.137 -7.104 15.299 1.00 0.00 C ATOM 849 CG ASP A 55 23.629 -6.751 15.313 1.00 0.00 C ATOM 850 OD1 ASP A 55 24.256 -6.781 14.227 1.00 0.00 O ATOM 851 OD2 ASP A 55 24.161 -6.516 16.424 1.00 0.00 O ATOM 0 H ASP A 55 21.677 -4.698 15.071 1.00 0.00 H new ATOM 0 HA ASP A 55 21.886 -6.837 13.186 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.678 -6.737 16.217 1.00 0.00 H new ATOM 0 HB3 ASP A 55 22.030 -8.189 15.300 1.00 0.00 H new ATOM 856 N SER A 56 18.960 -6.478 14.672 1.00 0.00 N ATOM 857 CA SER A 56 17.536 -6.852 14.579 1.00 0.00 C ATOM 858 C SER A 56 16.972 -6.533 13.190 1.00 0.00 C ATOM 859 O SER A 56 16.245 -7.345 12.612 1.00 0.00 O ATOM 860 CB SER A 56 16.707 -6.117 15.635 1.00 0.00 C ATOM 861 OG SER A 56 15.351 -6.538 15.615 1.00 0.00 O ATOM 0 H SER A 56 19.133 -5.697 15.304 1.00 0.00 H new ATOM 0 HA SER A 56 17.473 -7.926 14.754 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.131 -6.297 16.623 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.759 -5.043 15.457 1.00 0.00 H new ATOM 0 HG SER A 56 14.816 -5.946 16.184 1.00 0.00 H new ATOM 867 N LEU A 57 17.347 -5.386 12.606 1.00 0.00 N ATOM 868 CA LEU A 57 16.960 -4.986 11.247 1.00 0.00 C ATOM 869 C LEU A 57 17.457 -5.995 10.193 1.00 0.00 C ATOM 870 O LEU A 57 16.766 -6.240 9.202 1.00 0.00 O ATOM 871 CB LEU A 57 17.474 -3.561 10.968 1.00 0.00 C ATOM 872 CG LEU A 57 16.656 -2.468 11.679 1.00 0.00 C ATOM 873 CD1 LEU A 57 17.446 -1.161 11.708 1.00 0.00 C ATOM 874 CD2 LEU A 57 15.331 -2.228 10.951 1.00 0.00 C ATOM 0 H LEU A 57 17.938 -4.699 13.074 1.00 0.00 H new ATOM 0 HA LEU A 57 15.872 -4.984 11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.515 -3.489 11.284 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.454 -3.379 9.894 1.00 0.00 H new ATOM 0 HG LEU A 57 16.453 -2.803 12.696 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.860 -0.393 12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.383 -1.314 12.244 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.660 -0.842 10.688 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.767 -1.452 11.469 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.530 -1.910 9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.751 -3.151 10.938 1.00 0.00 H new ATOM 886 N LYS A 58 18.613 -6.629 10.435 1.00 0.00 N ATOM 887 CA LYS A 58 19.185 -7.708 9.604 1.00 0.00 C ATOM 888 C LYS A 58 18.552 -9.086 9.892 1.00 0.00 C ATOM 889 O LYS A 58 18.852 -10.058 9.196 1.00 0.00 O ATOM 890 CB LYS A 58 20.714 -7.730 9.786 1.00 0.00 C ATOM 891 CG LYS A 58 21.363 -6.513 9.105 1.00 0.00 C ATOM 892 CD LYS A 58 22.868 -6.393 9.380 1.00 0.00 C ATOM 893 CE LYS A 58 23.707 -7.598 8.938 1.00 0.00 C ATOM 894 NZ LYS A 58 23.633 -7.816 7.476 1.00 0.00 N ATOM 0 H LYS A 58 19.197 -6.401 11.239 1.00 0.00 H new ATOM 0 HA LYS A 58 18.950 -7.496 8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.958 -7.731 10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 58 21.122 -8.649 9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.202 -6.579 8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 58 20.865 -5.606 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 58 23.244 -5.503 8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.015 -6.240 10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 58 24.746 -7.444 9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.360 -8.492 9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 24.214 -8.639 7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.645 -7.989 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.988 -6.973 6.981 1.00 0.00 H new ATOM 908 N GLY A 59 17.661 -9.173 10.883 1.00 0.00 N ATOM 909 CA GLY A 59 16.895 -10.367 11.265 1.00 0.00 C ATOM 910 C GLY A 59 17.533 -11.289 12.307 1.00 0.00 C ATOM 911 O GLY A 59 16.987 -12.367 12.555 1.00 0.00 O ATOM 0 H GLY A 59 17.441 -8.371 11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.926 -10.043 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.704 -10.951 10.365 1.00 0.00 H new ATOM 915 N ARG A 60 18.657 -10.899 12.929 1.00 0.00 N ATOM 916 CA ARG A 60 19.342 -11.702 13.959 1.00 0.00 C ATOM 917 C ARG A 60 20.136 -10.814 14.920 1.00 0.00 C ATOM 918 O ARG A 60 21.299 -10.505 14.666 1.00 0.00 O ATOM 919 CB ARG A 60 20.208 -12.794 13.291 1.00 0.00 C ATOM 920 CG ARG A 60 20.564 -13.957 14.234 1.00 0.00 C ATOM 921 CD ARG A 60 21.762 -13.706 15.158 1.00 0.00 C ATOM 922 NE ARG A 60 22.070 -14.910 15.951 1.00 0.00 N ATOM 923 CZ ARG A 60 22.920 -14.991 16.962 1.00 0.00 C ATOM 924 NH1 ARG A 60 23.626 -13.977 17.387 1.00 0.00 N ATOM 925 NH2 ARG A 60 23.088 -16.129 17.582 1.00 0.00 N ATOM 0 H ARG A 60 19.120 -10.012 12.731 1.00 0.00 H new ATOM 0 HA ARG A 60 18.595 -12.210 14.570 1.00 0.00 H new ATOM 0 HB2 ARG A 60 19.677 -13.189 12.425 1.00 0.00 H new ATOM 0 HB3 ARG A 60 21.128 -12.341 12.922 1.00 0.00 H new ATOM 0 HG2 ARG A 60 19.693 -14.185 14.849 1.00 0.00 H new ATOM 0 HG3 ARG A 60 20.769 -14.842 13.632 1.00 0.00 H new ATOM 0 HD2 ARG A 60 22.632 -13.423 14.565 1.00 0.00 H new ATOM 0 HD3 ARG A 60 21.545 -12.871 15.824 1.00 0.00 H new ATOM 0 HE ARG A 60 21.579 -15.766 15.695 1.00 0.00 H new ATOM 0 HH11 ARG A 60 23.536 -13.067 16.934 1.00 0.00 H new ATOM 0 HH12 ARG A 60 24.267 -14.095 18.171 1.00 0.00 H new ATOM 0 HH21 ARG A 60 22.564 -16.953 17.286 1.00 0.00 H new ATOM 0 HH22 ARG A 60 23.743 -16.193 18.361 1.00 0.00 H new ATOM 939 N CYS A 61 19.485 -10.419 16.016 1.00 0.00 N ATOM 940 CA CYS A 61 20.086 -9.615 17.092 1.00 0.00 C ATOM 941 C CYS A 61 21.331 -10.332 17.673 1.00 0.00 C ATOM 942 O CYS A 61 21.275 -11.534 17.965 1.00 0.00 O ATOM 943 CB CYS A 61 19.017 -9.328 18.161 1.00 0.00 C ATOM 944 SG CYS A 61 19.632 -8.133 19.399 1.00 0.00 S ATOM 0 H CYS A 61 18.507 -10.651 16.188 1.00 0.00 H new ATOM 0 HA CYS A 61 20.434 -8.660 16.699 1.00 0.00 H new ATOM 0 HB2 CYS A 61 18.119 -8.934 17.685 1.00 0.00 H new ATOM 0 HB3 CYS A 61 18.734 -10.257 18.656 1.00 0.00 H new ATOM 0 HG CYS A 61 19.644 -6.940 18.882 1.00 0.00 H new ATOM 949 N SER A 62 22.449 -9.609 17.824 1.00 0.00 N ATOM 950 CA SER A 62 23.744 -10.160 18.276 1.00 0.00 C ATOM 951 C SER A 62 24.495 -9.274 19.289 1.00 0.00 C ATOM 952 O SER A 62 25.707 -9.431 19.468 1.00 0.00 O ATOM 953 CB SER A 62 24.648 -10.410 17.053 1.00 0.00 C ATOM 954 OG SER A 62 24.069 -11.331 16.142 1.00 0.00 O ATOM 0 H SER A 62 22.485 -8.608 17.634 1.00 0.00 H new ATOM 0 HA SER A 62 23.510 -11.088 18.798 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.836 -9.465 16.543 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.613 -10.790 17.388 1.00 0.00 H new ATOM 0 HG SER A 62 23.251 -10.947 15.764 1.00 0.00 H new ATOM 1013 N CYS A 66 21.723 -5.462 24.714 1.00 0.00 N ATOM 1014 CA CYS A 66 20.920 -4.702 23.759 1.00 0.00 C ATOM 1015 C CYS A 66 19.995 -3.695 24.481 1.00 0.00 C ATOM 1016 O CYS A 66 19.336 -4.020 25.478 1.00 0.00 O ATOM 1017 CB CYS A 66 20.161 -5.736 22.905 1.00 0.00 C ATOM 1018 SG CYS A 66 19.438 -4.990 21.410 1.00 0.00 S ATOM 0 HA CYS A 66 21.540 -4.083 23.110 1.00 0.00 H new ATOM 0 HB2 CYS A 66 20.841 -6.537 22.617 1.00 0.00 H new ATOM 0 HB3 CYS A 66 19.370 -6.189 23.503 1.00 0.00 H new ATOM 0 HG CYS A 66 18.469 -5.740 20.976 1.00 0.00 H new ATOM 1023 N LYS A 67 19.994 -2.450 23.984 1.00 0.00 N ATOM 1024 CA LYS A 67 19.263 -1.277 24.520 1.00 0.00 C ATOM 1025 C LYS A 67 18.519 -0.459 23.452 1.00 0.00 C ATOM 1026 O LYS A 67 17.954 0.596 23.744 1.00 0.00 O ATOM 1027 CB LYS A 67 20.250 -0.399 25.319 1.00 0.00 C ATOM 1028 CG LYS A 67 21.349 0.251 24.455 1.00 0.00 C ATOM 1029 CD LYS A 67 22.329 1.046 25.330 1.00 0.00 C ATOM 1030 CE LYS A 67 23.460 1.684 24.516 1.00 0.00 C ATOM 1031 NZ LYS A 67 22.978 2.780 23.654 1.00 0.00 N ATOM 0 H LYS A 67 20.532 -2.214 23.150 1.00 0.00 H new ATOM 0 HA LYS A 67 18.476 -1.653 25.174 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.692 0.386 25.830 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.721 -1.009 26.090 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.888 -0.519 23.904 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.895 0.912 23.717 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.785 1.826 25.863 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.757 0.385 26.083 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.222 2.067 25.195 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.936 0.922 23.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.784 3.362 23.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 22.503 2.382 22.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 22.307 3.370 24.186 1.00 0.00 H new ATOM 1045 N TYR A 68 18.521 -0.937 22.213 1.00 0.00 N ATOM 1046 CA TYR A 68 17.897 -0.305 21.051 1.00 0.00 C ATOM 1047 C TYR A 68 16.491 -0.884 20.778 1.00 0.00 C ATOM 1048 O TYR A 68 16.091 -1.890 21.373 1.00 0.00 O ATOM 1049 CB TYR A 68 18.873 -0.498 19.879 1.00 0.00 C ATOM 1050 CG TYR A 68 20.240 0.148 20.082 1.00 0.00 C ATOM 1051 CD1 TYR A 68 20.334 1.516 20.409 1.00 0.00 C ATOM 1052 CD2 TYR A 68 21.417 -0.616 19.945 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.593 2.123 20.584 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.680 -0.014 20.121 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.771 1.357 20.437 1.00 0.00 C ATOM 1056 OH TYR A 68 23.990 1.937 20.600 1.00 0.00 O ATOM 0 H TYR A 68 18.979 -1.818 21.978 1.00 0.00 H new ATOM 0 HA TYR A 68 17.724 0.759 21.216 1.00 0.00 H new ATOM 0 HB2 TYR A 68 19.011 -1.566 19.710 1.00 0.00 H new ATOM 0 HB3 TYR A 68 18.422 -0.088 18.975 1.00 0.00 H new ATOM 0 HD1 TYR A 68 19.435 2.103 20.526 1.00 0.00 H new ATOM 0 HD2 TYR A 68 21.351 -1.667 19.704 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.658 3.173 20.830 1.00 0.00 H new ATOM 0 HE2 TYR A 68 23.578 -0.604 20.014 1.00 0.00 H new ATOM 0 HH TYR A 68 24.692 1.267 20.465 1.00 0.00 H new ATOM 1066 N LEU A 69 15.717 -0.261 19.882 1.00 0.00 N ATOM 1067 CA LEU A 69 14.350 -0.690 19.559 1.00 0.00 C ATOM 1068 C LEU A 69 14.344 -1.801 18.493 1.00 0.00 C ATOM 1069 O LEU A 69 15.032 -1.695 17.479 1.00 0.00 O ATOM 1070 CB LEU A 69 13.587 0.543 19.027 1.00 0.00 C ATOM 1071 CG LEU A 69 12.157 0.281 18.514 1.00 0.00 C ATOM 1072 CD1 LEU A 69 11.199 -0.103 19.643 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.623 1.538 17.834 1.00 0.00 C ATOM 0 H LEU A 69 16.022 0.559 19.358 1.00 0.00 H new ATOM 0 HA LEU A 69 13.876 -1.094 20.454 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.536 1.286 19.823 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.168 0.984 18.217 1.00 0.00 H new ATOM 0 HG LEU A 69 12.212 -0.552 17.813 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.204 -0.278 19.233 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.555 -1.011 20.130 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.154 0.706 20.373 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.612 1.354 17.471 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.607 2.360 18.550 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.268 1.800 16.995 1.00 0.00 H new ATOM 1085 N HIS A 70 13.540 -2.848 18.707 1.00 0.00 N ATOM 1086 CA HIS A 70 13.323 -3.932 17.738 1.00 0.00 C ATOM 1087 C HIS A 70 11.995 -3.648 16.998 1.00 0.00 C ATOM 1088 O HIS A 70 10.923 -3.834 17.588 1.00 0.00 O ATOM 1089 CB HIS A 70 13.245 -5.281 18.477 1.00 0.00 C ATOM 1090 CG HIS A 70 14.562 -5.843 18.961 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.776 -7.143 19.371 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.780 -5.216 18.982 1.00 0.00 C ATOM 1093 CE1 HIS A 70 16.091 -7.298 19.606 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.747 -6.146 19.381 1.00 0.00 N ATOM 0 H HIS A 70 13.013 -2.970 19.572 1.00 0.00 H new ATOM 0 HA HIS A 70 14.146 -3.981 17.025 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.583 -5.166 19.335 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.782 -6.011 17.813 1.00 0.00 H new ATOM 0 HD1 HIS A 70 14.060 -7.862 19.477 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.963 -4.181 18.733 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.555 -8.218 19.930 1.00 0.00 H new ATOM 1102 N PRO A 71 12.020 -3.186 15.732 1.00 0.00 N ATOM 1103 CA PRO A 71 10.805 -2.825 15.002 1.00 0.00 C ATOM 1104 C PRO A 71 10.079 -4.013 14.327 1.00 0.00 C ATOM 1105 O PRO A 71 10.734 -4.895 13.758 1.00 0.00 O ATOM 1106 CB PRO A 71 11.284 -1.834 13.939 1.00 0.00 C ATOM 1107 CG PRO A 71 12.705 -2.297 13.625 1.00 0.00 C ATOM 1108 CD PRO A 71 13.205 -2.868 14.947 1.00 0.00 C ATOM 0 HA PRO A 71 10.066 -2.423 15.695 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.650 -1.860 13.053 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.270 -0.810 14.311 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.715 -3.049 12.836 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.329 -1.470 13.286 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.811 -3.758 14.781 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.834 -2.147 15.468 1.00 0.00 H new ATOM 1116 N PRO A 72 8.729 -4.026 14.321 1.00 0.00 N ATOM 1117 CA PRO A 72 7.912 -5.014 13.606 1.00 0.00 C ATOM 1118 C PRO A 72 8.017 -4.803 12.075 1.00 0.00 C ATOM 1119 O PRO A 72 8.422 -3.722 11.637 1.00 0.00 O ATOM 1120 CB PRO A 72 6.480 -4.787 14.115 1.00 0.00 C ATOM 1121 CG PRO A 72 6.468 -3.296 14.432 1.00 0.00 C ATOM 1122 CD PRO A 72 7.869 -3.061 14.982 1.00 0.00 C ATOM 0 HA PRO A 72 8.241 -6.037 13.788 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.737 -5.046 13.361 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.264 -5.390 14.997 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.275 -2.694 13.544 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.699 -3.043 15.161 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.200 -2.042 14.781 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.891 -3.196 16.063 1.00 0.00 H new ATOM 1130 N PRO A 73 7.643 -5.792 11.235 1.00 0.00 N ATOM 1131 CA PRO A 73 7.752 -5.729 9.770 1.00 0.00 C ATOM 1132 C PRO A 73 7.334 -4.415 9.086 1.00 0.00 C ATOM 1133 O PRO A 73 8.073 -3.918 8.234 1.00 0.00 O ATOM 1134 CB PRO A 73 6.945 -6.924 9.256 1.00 0.00 C ATOM 1135 CG PRO A 73 7.123 -7.954 10.368 1.00 0.00 C ATOM 1136 CD PRO A 73 7.138 -7.101 11.635 1.00 0.00 C ATOM 0 HA PRO A 73 8.809 -5.766 9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.896 -6.669 9.105 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.325 -7.289 8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.309 -8.678 10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.049 -8.517 10.251 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.138 -7.019 12.062 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.775 -7.548 12.398 1.00 0.00 H new ATOM 1144 N HIS A 74 6.194 -3.809 9.449 1.00 0.00 N ATOM 1145 CA HIS A 74 5.764 -2.535 8.838 1.00 0.00 C ATOM 1146 C HIS A 74 6.703 -1.364 9.189 1.00 0.00 C ATOM 1147 O HIS A 74 7.037 -0.555 8.320 1.00 0.00 O ATOM 1148 CB HIS A 74 4.290 -2.244 9.168 1.00 0.00 C ATOM 1149 CG HIS A 74 4.054 -1.680 10.544 1.00 0.00 C ATOM 1150 ND1 HIS A 74 4.016 -2.384 11.735 1.00 0.00 N ATOM 1151 CD2 HIS A 74 3.853 -0.360 10.832 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.798 -1.501 12.728 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.698 -0.271 12.197 1.00 0.00 N ATOM 0 H HIS A 74 5.556 -4.174 10.156 1.00 0.00 H new ATOM 0 HA HIS A 74 5.837 -2.644 7.756 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.898 -1.543 8.431 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.720 -3.167 9.066 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.822 0.456 10.125 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.717 -1.742 13.778 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.534 0.589 12.720 1.00 0.00 H new ATOM 1162 N LEU A 75 7.207 -1.309 10.429 1.00 0.00 N ATOM 1163 CA LEU A 75 8.192 -0.307 10.859 1.00 0.00 C ATOM 1164 C LEU A 75 9.569 -0.571 10.229 1.00 0.00 C ATOM 1165 O LEU A 75 10.291 0.388 9.970 1.00 0.00 O ATOM 1166 CB LEU A 75 8.246 -0.213 12.396 1.00 0.00 C ATOM 1167 CG LEU A 75 7.220 0.787 12.970 1.00 0.00 C ATOM 1168 CD1 LEU A 75 6.985 0.550 14.462 1.00 0.00 C ATOM 1169 CD2 LEU A 75 7.696 2.236 12.822 1.00 0.00 C ATOM 0 H LEU A 75 6.941 -1.962 11.166 1.00 0.00 H new ATOM 0 HA LEU A 75 7.871 0.669 10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.063 -1.199 12.822 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.248 0.086 12.702 1.00 0.00 H new ATOM 0 HG LEU A 75 6.303 0.628 12.403 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.257 1.271 14.835 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.606 -0.460 14.615 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.924 0.670 15.002 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.947 2.909 13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.637 2.366 13.356 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.843 2.465 11.766 1.00 0.00 H new ATOM 1181 N LYS A 76 9.924 -1.824 9.892 1.00 0.00 N ATOM 1182 CA LYS A 76 11.159 -2.125 9.135 1.00 0.00 C ATOM 1183 C LYS A 76 11.108 -1.460 7.753 1.00 0.00 C ATOM 1184 O LYS A 76 12.103 -0.889 7.312 1.00 0.00 O ATOM 1185 CB LYS A 76 11.415 -3.639 9.008 1.00 0.00 C ATOM 1186 CG LYS A 76 11.729 -4.276 10.370 1.00 0.00 C ATOM 1187 CD LYS A 76 12.064 -5.772 10.309 1.00 0.00 C ATOM 1188 CE LYS A 76 13.376 -6.034 9.560 1.00 0.00 C ATOM 1189 NZ LYS A 76 13.815 -7.437 9.713 1.00 0.00 N ATOM 0 H LYS A 76 9.373 -2.648 10.131 1.00 0.00 H new ATOM 0 HA LYS A 76 11.996 -1.712 9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.539 -4.121 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.246 -3.812 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.569 -3.746 10.820 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.873 -4.135 11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.138 -6.169 11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.252 -6.306 9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.244 -5.806 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.151 -5.366 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.843 -7.497 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.579 -7.772 10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.332 -8.031 9.009 1.00 0.00 H new ATOM 1203 N THR A 77 9.945 -1.455 7.094 1.00 0.00 N ATOM 1204 CA THR A 77 9.748 -0.746 5.816 1.00 0.00 C ATOM 1205 C THR A 77 9.892 0.770 6.009 1.00 0.00 C ATOM 1206 O THR A 77 10.587 1.421 5.230 1.00 0.00 O ATOM 1207 CB THR A 77 8.383 -1.076 5.189 1.00 0.00 C ATOM 1208 OG1 THR A 77 8.265 -2.473 5.020 1.00 0.00 O ATOM 1209 CG2 THR A 77 8.218 -0.440 3.808 1.00 0.00 C ATOM 0 H THR A 77 9.112 -1.940 7.427 1.00 0.00 H new ATOM 0 HA THR A 77 10.523 -1.089 5.130 1.00 0.00 H new ATOM 0 HB THR A 77 7.621 -0.683 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.394 -2.682 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.240 -0.699 3.403 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.300 0.644 3.894 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.997 -0.810 3.141 1.00 0.00 H new ATOM 1217 N GLN A 78 9.305 1.340 7.072 1.00 0.00 N ATOM 1218 CA GLN A 78 9.453 2.769 7.400 1.00 0.00 C ATOM 1219 C GLN A 78 10.932 3.125 7.653 1.00 0.00 C ATOM 1220 O GLN A 78 11.402 4.174 7.203 1.00 0.00 O ATOM 1221 CB GLN A 78 8.580 3.140 8.614 1.00 0.00 C ATOM 1222 CG GLN A 78 7.073 3.097 8.303 1.00 0.00 C ATOM 1223 CD GLN A 78 6.212 3.197 9.564 1.00 0.00 C ATOM 1224 OE1 GLN A 78 5.623 2.226 10.015 1.00 0.00 O ATOM 1225 NE2 GLN A 78 6.102 4.353 10.185 1.00 0.00 N ATOM 0 H GLN A 78 8.716 0.827 7.728 1.00 0.00 H new ATOM 0 HA GLN A 78 9.111 3.353 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 78 8.796 2.455 9.434 1.00 0.00 H new ATOM 0 HB3 GLN A 78 8.847 4.140 8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.821 3.916 7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.839 2.170 7.780 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.586 5.174 9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.532 4.427 11.028 1.00 0.00 H new ATOM 1234 N LEU A 79 11.681 2.241 8.324 1.00 0.00 N ATOM 1235 CA LEU A 79 13.115 2.392 8.573 1.00 0.00 C ATOM 1236 C LEU A 79 13.889 2.386 7.248 1.00 0.00 C ATOM 1237 O LEU A 79 14.694 3.280 7.021 1.00 0.00 O ATOM 1238 CB LEU A 79 13.589 1.287 9.543 1.00 0.00 C ATOM 1239 CG LEU A 79 14.998 1.433 10.155 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.147 1.161 9.184 1.00 0.00 C ATOM 1241 CD2 LEU A 79 15.217 2.797 10.798 1.00 0.00 C ATOM 0 H LEU A 79 11.295 1.382 8.717 1.00 0.00 H new ATOM 0 HA LEU A 79 13.312 3.353 9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.871 1.227 10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.549 0.335 9.014 1.00 0.00 H new ATOM 0 HG LEU A 79 15.020 0.654 10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.098 1.287 9.701 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.071 0.141 8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.092 1.861 8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 79 16.224 2.846 11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.096 3.577 10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.488 2.945 11.595 1.00 0.00 H new ATOM 1253 N GLU A 80 13.626 1.436 6.345 1.00 0.00 N ATOM 1254 CA GLU A 80 14.281 1.377 5.027 1.00 0.00 C ATOM 1255 C GLU A 80 14.027 2.634 4.174 1.00 0.00 C ATOM 1256 O GLU A 80 14.949 3.128 3.521 1.00 0.00 O ATOM 1257 CB GLU A 80 13.820 0.133 4.258 1.00 0.00 C ATOM 1258 CG GLU A 80 14.500 -1.155 4.738 1.00 0.00 C ATOM 1259 CD GLU A 80 14.026 -2.350 3.904 1.00 0.00 C ATOM 1260 OE1 GLU A 80 14.306 -2.351 2.679 1.00 0.00 O ATOM 1261 OE2 GLU A 80 13.378 -3.258 4.478 1.00 0.00 O ATOM 0 H GLU A 80 12.954 0.685 6.503 1.00 0.00 H new ATOM 0 HA GLU A 80 15.353 1.324 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.740 0.028 4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 80 14.026 0.272 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.582 -1.054 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.272 -1.324 5.790 1.00 0.00 H new ATOM 1268 N ILE A 81 12.803 3.179 4.203 1.00 0.00 N ATOM 1269 CA ILE A 81 12.442 4.423 3.497 1.00 0.00 C ATOM 1270 C ILE A 81 13.264 5.596 4.061 1.00 0.00 C ATOM 1271 O ILE A 81 13.870 6.352 3.298 1.00 0.00 O ATOM 1272 CB ILE A 81 10.914 4.662 3.583 1.00 0.00 C ATOM 1273 CG1 ILE A 81 10.175 3.612 2.717 1.00 0.00 C ATOM 1274 CG2 ILE A 81 10.528 6.083 3.127 1.00 0.00 C ATOM 1275 CD1 ILE A 81 8.667 3.529 2.987 1.00 0.00 C ATOM 0 H ILE A 81 12.027 2.768 4.721 1.00 0.00 H new ATOM 0 HA ILE A 81 12.686 4.337 2.438 1.00 0.00 H new ATOM 0 HB ILE A 81 10.617 4.559 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.333 3.848 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 81 10.620 2.633 2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.448 6.209 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.024 6.816 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.839 6.230 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.223 2.771 2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.498 3.261 4.030 1.00 0.00 H new ATOM 0 HD13 ILE A 81 8.207 4.496 2.782 1.00 0.00 H new ATOM 1287 N ASN A 82 13.349 5.711 5.393 1.00 0.00 N ATOM 1288 CA ASN A 82 14.186 6.713 6.065 1.00 0.00 C ATOM 1289 C ASN A 82 15.670 6.508 5.718 1.00 0.00 C ATOM 1290 O ASN A 82 16.383 7.472 5.444 1.00 0.00 O ATOM 1291 CB ASN A 82 13.971 6.634 7.590 1.00 0.00 C ATOM 1292 CG ASN A 82 12.782 7.463 8.041 1.00 0.00 C ATOM 1293 OD1 ASN A 82 12.896 8.643 8.339 1.00 0.00 O ATOM 1294 ND2 ASN A 82 11.602 6.888 8.088 1.00 0.00 N ATOM 0 H ASN A 82 12.837 5.109 6.037 1.00 0.00 H new ATOM 0 HA ASN A 82 13.894 7.703 5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.819 5.595 7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 82 14.869 6.981 8.101 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.783 7.426 8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.504 5.904 7.840 1.00 0.00 H new ATOM 1301 N GLY A 83 16.122 5.253 5.704 1.00 0.00 N ATOM 1302 CA GLY A 83 17.481 4.839 5.389 1.00 0.00 C ATOM 1303 C GLY A 83 17.925 5.289 4.006 1.00 0.00 C ATOM 1304 O GLY A 83 18.874 6.059 3.898 1.00 0.00 O ATOM 0 H GLY A 83 15.516 4.462 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 83 18.163 5.246 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 83 17.550 3.753 5.453 1.00 0.00 H new