USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HE2:sc= -7.31! C(o=-11!,f=-7.3!) USER MOD Single : A 17 TYR OH : rot 0:sc= -0.982 USER MOD Single : A 18 CYS SG : rot -71:sc= 0.56 USER MOD Single : A 21 TYR OH : rot -44:sc= -3.24! USER MOD Single : A 23 CYS SG : rot 180:sc= -0.603 USER MOD Single : A 24 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 46 CYS SG : rot 16:sc= 0.722 USER MOD Single : A 47 TYR OH : rot 174:sc= -1.25 USER MOD Single : A 49 GLN : amide:sc= -1.42! C(o=-1.4!,f=-11!) USER MOD Single : A 51 SER OG : rot 7:sc= 0.692 USER MOD Single : A 54 ASN : amide:sc= -0.506 K(o=-0.51,f=-6.1!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.15 K(o=-1.1,f=-5!) USER MOD Single : A 63 THR OG1 : rot 130:sc= 0.948 USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= 0.122 (180deg=0.0306) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.044) USER MOD Single : A 71 HIS : no HE2:sc= -2.71! C(o=-2.7!,f=-6.3!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -171:sc= -1.73! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 93 THR OG1 : rot -121:sc= 0.238 USER MOD Single : A 95 THR OG1 : rot -90:sc= -0.241 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0583 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N ALA A 12 13.830 15.533 -4.122 1.00 0.00 N ATOM 133 CA ALA A 12 12.985 14.863 -3.148 1.00 0.00 C ATOM 134 C ALA A 12 12.346 13.632 -3.795 1.00 0.00 C ATOM 135 O ALA A 12 12.127 13.606 -5.005 1.00 0.00 O ATOM 136 CB ALA A 12 11.943 15.847 -2.613 1.00 0.00 C ATOM 0 HA ALA A 12 13.576 14.520 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.309 15.344 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.447 16.688 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.329 16.210 -3.437 1.00 0.00 H new ATOM 142 N PRO A 13 12.058 12.616 -2.938 1.00 0.00 N ATOM 143 CA PRO A 13 11.449 11.386 -3.414 1.00 0.00 C ATOM 144 C PRO A 13 9.965 11.593 -3.723 1.00 0.00 C ATOM 145 O PRO A 13 9.219 12.106 -2.890 1.00 0.00 O ATOM 146 CB PRO A 13 11.690 10.374 -2.306 1.00 0.00 C ATOM 147 CG PRO A 13 12.011 11.186 -1.062 1.00 0.00 C ATOM 148 CD PRO A 13 12.304 12.612 -1.499 1.00 0.00 C ATOM 0 HA PRO A 13 11.880 11.039 -4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.810 9.750 -2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.513 9.706 -2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.173 11.165 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.869 10.762 -0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.659 13.324 -0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.333 12.892 -1.272 1.00 0.00 H new ATOM 156 N LYS A 14 9.580 11.182 -4.922 1.00 0.00 N ATOM 157 CA LYS A 14 8.198 11.316 -5.351 1.00 0.00 C ATOM 158 C LYS A 14 7.561 9.928 -5.445 1.00 0.00 C ATOM 159 O LYS A 14 8.229 8.957 -5.798 1.00 0.00 O ATOM 160 CB LYS A 14 8.116 12.119 -6.651 1.00 0.00 C ATOM 161 CG LYS A 14 7.677 13.559 -6.378 1.00 0.00 C ATOM 162 CD LYS A 14 6.725 14.058 -7.468 1.00 0.00 C ATOM 163 CE LYS A 14 7.442 14.164 -8.815 1.00 0.00 C ATOM 164 NZ LYS A 14 7.797 15.571 -9.104 1.00 0.00 N ATOM 0 H LYS A 14 10.201 10.756 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 14 7.624 11.882 -4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.088 12.119 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.411 11.643 -7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.185 13.615 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.552 14.207 -6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.878 13.378 -7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.324 15.032 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.343 13.551 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.801 13.775 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.283 15.625 -10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.932 16.148 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.426 15.931 -8.358 1.00 0.00 H new ATOM 178 N LEU A 15 6.277 9.878 -5.123 1.00 0.00 N ATOM 179 CA LEU A 15 5.543 8.625 -5.166 1.00 0.00 C ATOM 180 C LEU A 15 4.135 8.883 -5.707 1.00 0.00 C ATOM 181 O LEU A 15 3.370 9.644 -5.118 1.00 0.00 O ATOM 182 CB LEU A 15 5.560 7.946 -3.795 1.00 0.00 C ATOM 183 CG LEU A 15 4.501 6.865 -3.568 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.503 5.848 -4.711 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.684 6.196 -2.205 1.00 0.00 C ATOM 0 H LEU A 15 5.726 10.685 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 15 6.025 7.925 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.543 7.500 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.437 8.713 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 15 3.521 7.342 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.741 5.091 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.288 6.356 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.481 5.371 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.919 5.432 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.670 5.735 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.594 6.944 -1.417 1.00 0.00 H new ATOM 197 N HIS A 16 3.836 8.233 -6.822 1.00 0.00 N ATOM 198 CA HIS A 16 2.534 8.382 -7.449 1.00 0.00 C ATOM 199 C HIS A 16 1.582 7.309 -6.917 1.00 0.00 C ATOM 200 O HIS A 16 1.978 6.159 -6.732 1.00 0.00 O ATOM 201 CB HIS A 16 2.659 8.360 -8.974 1.00 0.00 C ATOM 202 CG HIS A 16 1.469 8.944 -9.696 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.793 10.112 -9.500 1.00 0.00 N flip ATOM 204 CD2 HIS A 16 0.848 8.306 -10.756 1.00 0.00 C flip ATOM 205 CE1 HIS A 16 -0.187 10.185 -10.393 1.00 0.00 C flip ATOM 206 NE2 HIS A 16 -0.155 9.066 -11.172 1.00 0.00 N flip ATOM 0 H HIS A 16 4.473 7.602 -7.307 1.00 0.00 H new ATOM 0 HA HIS A 16 2.112 9.353 -7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.553 8.912 -9.263 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.800 7.330 -9.302 1.00 0.00 H new ATOM 0 HD1 HIS A 16 1.004 10.811 -8.788 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.132 7.351 -11.173 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.893 10.997 -10.487 1.00 0.00 H new ATOM 214 N TYR A 17 0.345 7.724 -6.685 1.00 0.00 N ATOM 215 CA TYR A 17 -0.667 6.812 -6.177 1.00 0.00 C ATOM 216 C TYR A 17 -2.073 7.322 -6.496 1.00 0.00 C ATOM 217 O TYR A 17 -2.365 8.503 -6.315 1.00 0.00 O ATOM 218 CB TYR A 17 -0.481 6.780 -4.658 1.00 0.00 C ATOM 219 CG TYR A 17 -0.362 8.164 -4.016 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.498 8.841 -3.620 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.881 8.735 -3.833 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.386 10.143 -3.016 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.993 10.037 -3.229 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.146 10.677 -2.850 1.00 0.00 C ATOM 225 OH TYR A 17 -0.040 11.907 -2.279 1.00 0.00 O ATOM 0 H TYR A 17 0.021 8.679 -6.839 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.560 5.827 -6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.324 6.254 -4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.414 6.204 -4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.471 8.394 -3.763 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.770 8.205 -4.143 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.267 10.684 -2.702 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.960 10.495 -3.080 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.934 12.244 -2.060 1.00 0.00 H new ATOM 235 N CYS A 18 -2.908 6.406 -6.965 1.00 0.00 N ATOM 236 CA CYS A 18 -4.277 6.748 -7.311 1.00 0.00 C ATOM 237 C CYS A 18 -5.208 6.106 -6.280 1.00 0.00 C ATOM 238 O CYS A 18 -5.477 4.907 -6.343 1.00 0.00 O ATOM 239 CB CYS A 18 -4.624 6.319 -8.738 1.00 0.00 C ATOM 240 SG CYS A 18 -6.095 7.235 -9.326 1.00 0.00 S ATOM 0 H CYS A 18 -2.663 5.427 -7.113 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.401 7.831 -7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.779 6.509 -9.399 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.817 5.247 -8.767 1.00 0.00 H new ATOM 0 HG CYS A 18 -7.152 6.805 -8.703 1.00 0.00 H new ATOM 246 N LEU A 19 -5.673 6.932 -5.354 1.00 0.00 N ATOM 247 CA LEU A 19 -6.567 6.459 -4.311 1.00 0.00 C ATOM 248 C LEU A 19 -7.965 6.253 -4.899 1.00 0.00 C ATOM 249 O LEU A 19 -8.521 7.158 -5.520 1.00 0.00 O ATOM 250 CB LEU A 19 -6.539 7.408 -3.111 1.00 0.00 C ATOM 251 CG LEU A 19 -5.152 7.772 -2.577 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.135 6.675 -2.898 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.705 9.139 -3.098 1.00 0.00 C ATOM 0 H LEU A 19 -5.447 7.926 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.234 5.493 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.053 8.328 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.111 6.955 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.213 7.846 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.158 6.959 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.452 5.739 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.070 6.544 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.716 9.373 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.665 9.118 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.414 9.901 -2.775 1.00 0.00 H new ATOM 265 N ASP A 20 -8.492 5.057 -4.682 1.00 0.00 N ATOM 266 CA ASP A 20 -9.814 4.720 -5.183 1.00 0.00 C ATOM 267 C ASP A 20 -10.462 3.695 -4.250 1.00 0.00 C ATOM 268 O ASP A 20 -10.013 2.553 -4.170 1.00 0.00 O ATOM 269 CB ASP A 20 -9.733 4.103 -6.580 1.00 0.00 C ATOM 270 CG ASP A 20 -9.214 5.041 -7.672 1.00 0.00 C ATOM 271 OD1 ASP A 20 -8.174 5.686 -7.418 1.00 0.00 O ATOM 272 OD2 ASP A 20 -9.868 5.091 -8.736 1.00 0.00 O ATOM 0 H ASP A 20 -8.028 4.309 -4.166 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.401 5.637 -5.228 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.086 3.227 -6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.725 3.753 -6.864 1.00 0.00 H new ATOM 277 N TYR A 21 -11.507 4.140 -3.569 1.00 0.00 N ATOM 278 CA TYR A 21 -12.222 3.275 -2.645 1.00 0.00 C ATOM 279 C TYR A 21 -13.448 2.651 -3.314 1.00 0.00 C ATOM 280 O TYR A 21 -14.360 3.362 -3.733 1.00 0.00 O ATOM 281 CB TYR A 21 -12.684 4.175 -1.497 1.00 0.00 C ATOM 282 CG TYR A 21 -13.329 3.418 -0.334 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.540 2.719 0.557 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.700 3.434 -0.176 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.147 2.007 1.651 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.307 2.721 0.918 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.500 2.043 1.778 1.00 0.00 C ATOM 288 OH TYR A 21 -15.074 1.370 2.812 1.00 0.00 O ATOM 0 H TYR A 21 -11.876 5.088 -3.638 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.580 2.462 -2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.828 4.736 -1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.397 4.903 -1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.467 2.706 0.433 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.318 3.981 -0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.541 1.456 2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.379 2.724 1.053 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.659 0.486 2.897 1.00 0.00 H new ATOM 298 N ASP A 22 -13.430 1.329 -3.394 1.00 0.00 N ATOM 299 CA ASP A 22 -14.529 0.601 -4.006 1.00 0.00 C ATOM 300 C ASP A 22 -15.521 0.178 -2.920 1.00 0.00 C ATOM 301 O ASP A 22 -15.438 -0.933 -2.398 1.00 0.00 O ATOM 302 CB ASP A 22 -14.030 -0.662 -4.709 1.00 0.00 C ATOM 303 CG ASP A 22 -14.836 -1.079 -5.940 1.00 0.00 C ATOM 304 OD1 ASP A 22 -15.948 -0.532 -6.102 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.322 -1.935 -6.692 1.00 0.00 O ATOM 0 H ASP A 22 -12.672 0.743 -3.045 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.002 1.256 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.993 -0.508 -5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.037 -1.484 -3.994 1.00 0.00 H new ATOM 310 N CYS A 23 -16.436 1.085 -2.614 1.00 0.00 N ATOM 311 CA CYS A 23 -17.443 0.820 -1.600 1.00 0.00 C ATOM 312 C CYS A 23 -17.949 -0.612 -1.789 1.00 0.00 C ATOM 313 O CYS A 23 -18.300 -1.283 -0.819 1.00 0.00 O ATOM 314 CB CYS A 23 -18.583 1.839 -1.654 1.00 0.00 C ATOM 315 SG CYS A 23 -19.731 1.423 -3.016 1.00 0.00 S ATOM 0 H CYS A 23 -16.502 2.005 -3.050 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.000 0.921 -0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.119 1.847 -0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.179 2.841 -1.801 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.696 2.293 -3.051 1.00 0.00 H new ATOM 321 N GLN A 24 -17.970 -1.038 -3.043 1.00 0.00 N ATOM 322 CA GLN A 24 -18.426 -2.377 -3.371 1.00 0.00 C ATOM 323 C GLN A 24 -17.568 -3.421 -2.654 1.00 0.00 C ATOM 324 O GLN A 24 -18.095 -4.336 -2.023 1.00 0.00 O ATOM 325 CB GLN A 24 -18.416 -2.605 -4.884 1.00 0.00 C ATOM 326 CG GLN A 24 -18.948 -1.377 -5.627 1.00 0.00 C ATOM 327 CD GLN A 24 -20.054 -1.767 -6.609 1.00 0.00 C ATOM 328 OE1 GLN A 24 -20.774 -2.735 -6.422 1.00 0.00 O ATOM 329 NE2 GLN A 24 -20.149 -0.963 -7.664 1.00 0.00 N ATOM 0 H GLN A 24 -17.678 -0.479 -3.845 1.00 0.00 H new ATOM 0 HA GLN A 24 -19.455 -2.483 -3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -17.401 -2.824 -5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.026 -3.475 -5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.333 -0.652 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -18.134 -0.892 -6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -19.515 -0.170 -7.760 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -20.856 -1.139 -8.378 1.00 0.00 H new ATOM 338 N LYS A 25 -16.260 -3.250 -2.775 1.00 0.00 N ATOM 339 CA LYS A 25 -15.323 -4.166 -2.146 1.00 0.00 C ATOM 340 C LYS A 25 -15.051 -3.705 -0.713 1.00 0.00 C ATOM 341 O LYS A 25 -14.641 -4.501 0.131 1.00 0.00 O ATOM 342 CB LYS A 25 -14.060 -4.308 -2.997 1.00 0.00 C ATOM 343 CG LYS A 25 -14.397 -4.274 -4.489 1.00 0.00 C ATOM 344 CD LYS A 25 -13.324 -4.994 -5.310 1.00 0.00 C ATOM 345 CE LYS A 25 -13.957 -5.855 -6.405 1.00 0.00 C ATOM 346 NZ LYS A 25 -12.963 -6.172 -7.454 1.00 0.00 N ATOM 0 H LYS A 25 -15.826 -2.490 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.751 -5.166 -2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.365 -3.503 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.558 -5.245 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.366 -4.744 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.483 -3.240 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.653 -4.262 -5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.719 -5.620 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.344 -6.777 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.804 -5.329 -6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.409 -6.757 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.613 -5.290 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.168 -6.693 -7.033 1.00 0.00 H new ATOM 360 N ALA A 26 -15.290 -2.423 -0.482 1.00 0.00 N ATOM 361 CA ALA A 26 -15.076 -1.847 0.835 1.00 0.00 C ATOM 362 C ALA A 26 -13.588 -1.925 1.185 1.00 0.00 C ATOM 363 O ALA A 26 -13.229 -2.236 2.319 1.00 0.00 O ATOM 364 CB ALA A 26 -15.954 -2.571 1.858 1.00 0.00 C ATOM 0 H ALA A 26 -15.630 -1.766 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.363 -0.795 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.793 -2.139 2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.002 -2.462 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.693 -3.629 1.878 1.00 0.00 H new ATOM 370 N GLU A 27 -12.763 -1.636 0.189 1.00 0.00 N ATOM 371 CA GLU A 27 -11.323 -1.669 0.377 1.00 0.00 C ATOM 372 C GLU A 27 -10.663 -0.507 -0.368 1.00 0.00 C ATOM 373 O GLU A 27 -11.095 -0.140 -1.459 1.00 0.00 O ATOM 374 CB GLU A 27 -10.742 -3.011 -0.074 1.00 0.00 C ATOM 375 CG GLU A 27 -11.312 -4.163 0.756 1.00 0.00 C ATOM 376 CD GLU A 27 -10.196 -5.083 1.255 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.062 -4.577 1.393 1.00 0.00 O ATOM 378 OE2 GLU A 27 -10.503 -6.272 1.488 1.00 0.00 O ATOM 0 H GLU A 27 -13.065 -1.378 -0.751 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.112 -1.558 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.966 -3.172 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.656 -2.992 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.867 -3.764 1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.018 -4.735 0.154 1.00 0.00 H new ATOM 385 N LEU A 28 -9.627 0.039 0.252 1.00 0.00 N ATOM 386 CA LEU A 28 -8.903 1.151 -0.339 1.00 0.00 C ATOM 387 C LEU A 28 -7.883 0.614 -1.346 1.00 0.00 C ATOM 388 O LEU A 28 -7.272 -0.429 -1.119 1.00 0.00 O ATOM 389 CB LEU A 28 -8.287 2.030 0.752 1.00 0.00 C ATOM 390 CG LEU A 28 -7.842 3.427 0.316 1.00 0.00 C ATOM 391 CD1 LEU A 28 -6.486 3.376 -0.391 1.00 0.00 C ATOM 392 CD2 LEU A 28 -8.912 4.100 -0.546 1.00 0.00 C ATOM 0 H LEU A 28 -9.272 -0.268 1.158 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.584 1.799 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.013 2.137 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.424 1.509 1.167 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.716 4.039 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.194 4.383 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.737 2.967 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.560 2.742 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.570 5.092 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.094 3.498 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.836 4.191 0.026 1.00 0.00 H new ATOM 404 N PHE A 29 -7.731 1.351 -2.436 1.00 0.00 N ATOM 405 CA PHE A 29 -6.796 0.962 -3.478 1.00 0.00 C ATOM 406 C PHE A 29 -5.803 2.088 -3.772 1.00 0.00 C ATOM 407 O PHE A 29 -6.155 3.265 -3.702 1.00 0.00 O ATOM 408 CB PHE A 29 -7.619 0.683 -4.737 1.00 0.00 C ATOM 409 CG PHE A 29 -8.515 -0.554 -4.633 1.00 0.00 C ATOM 410 CD1 PHE A 29 -9.705 -0.478 -3.981 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.120 -1.728 -5.194 1.00 0.00 C ATOM 412 CE1 PHE A 29 -10.536 -1.626 -3.884 1.00 0.00 C ATOM 413 CE2 PHE A 29 -8.950 -2.875 -5.098 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.141 -2.800 -4.445 1.00 0.00 C ATOM 0 H PHE A 29 -8.240 2.216 -2.620 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.229 0.087 -3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.240 1.552 -4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.941 0.558 -5.582 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.019 0.455 -3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.175 -1.787 -5.713 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.481 -1.566 -3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.636 -3.807 -5.543 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.773 -3.673 -4.372 1.00 0.00 H new ATOM 424 N VAL A 30 -4.582 1.688 -4.094 1.00 0.00 N ATOM 425 CA VAL A 30 -3.535 2.649 -4.398 1.00 0.00 C ATOM 426 C VAL A 30 -2.844 2.247 -5.703 1.00 0.00 C ATOM 427 O VAL A 30 -1.732 1.723 -5.685 1.00 0.00 O ATOM 428 CB VAL A 30 -2.567 2.759 -3.219 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.430 3.734 -3.532 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.303 3.167 -1.942 1.00 0.00 C ATOM 0 H VAL A 30 -4.294 0.711 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.959 3.642 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.128 1.775 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.756 3.794 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.879 3.383 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.844 4.721 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.592 3.238 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.783 4.134 -2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.060 2.420 -1.704 1.00 0.00 H new ATOM 440 N THR A 31 -3.533 2.509 -6.805 1.00 0.00 N ATOM 441 CA THR A 31 -2.999 2.182 -8.116 1.00 0.00 C ATOM 442 C THR A 31 -2.099 3.310 -8.623 1.00 0.00 C ATOM 443 O THR A 31 -1.773 4.232 -7.876 1.00 0.00 O ATOM 444 CB THR A 31 -4.178 1.882 -9.044 1.00 0.00 C ATOM 445 OG1 THR A 31 -4.973 3.063 -8.989 1.00 0.00 O ATOM 446 CG2 THR A 31 -5.096 0.789 -8.492 1.00 0.00 C ATOM 0 H THR A 31 -4.456 2.944 -6.816 1.00 0.00 H new ATOM 0 HA THR A 31 -2.364 1.297 -8.075 1.00 0.00 H new ATOM 0 HB THR A 31 -3.802 1.580 -10.021 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.759 2.955 -9.564 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.916 0.616 -9.189 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.528 -0.132 -8.363 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.499 1.104 -7.530 1.00 0.00 H new ATOM 454 N ARG A 32 -1.722 3.200 -9.888 1.00 0.00 N ATOM 455 CA ARG A 32 -0.865 4.200 -10.503 1.00 0.00 C ATOM 456 C ARG A 32 0.375 4.441 -9.639 1.00 0.00 C ATOM 457 O ARG A 32 0.641 5.569 -9.230 1.00 0.00 O ATOM 458 CB ARG A 32 -1.611 5.523 -10.692 1.00 0.00 C ATOM 459 CG ARG A 32 -2.857 5.331 -11.559 1.00 0.00 C ATOM 460 CD ARG A 32 -2.500 5.356 -13.046 1.00 0.00 C ATOM 461 NE ARG A 32 -3.729 5.489 -13.860 1.00 0.00 N ATOM 462 CZ ARG A 32 -3.736 5.760 -15.172 1.00 0.00 C ATOM 463 NH1 ARG A 32 -2.579 5.929 -15.827 1.00 0.00 N ATOM 464 NH2 ARG A 32 -4.899 5.862 -15.829 1.00 0.00 N ATOM 0 H ARG A 32 -1.994 2.434 -10.504 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.563 3.823 -11.480 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.898 5.925 -9.720 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.950 6.254 -11.156 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.334 4.382 -11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.580 6.117 -11.342 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.826 6.187 -13.252 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.972 4.442 -13.317 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.627 5.367 -13.393 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.694 5.851 -15.327 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.584 6.135 -16.826 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.779 5.733 -15.330 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.904 6.068 -16.828 1.00 0.00 H new ATOM 478 N LEU A 33 1.100 3.361 -9.389 1.00 0.00 N ATOM 479 CA LEU A 33 2.306 3.440 -8.581 1.00 0.00 C ATOM 480 C LEU A 33 3.489 3.818 -9.475 1.00 0.00 C ATOM 481 O LEU A 33 3.891 3.041 -10.340 1.00 0.00 O ATOM 482 CB LEU A 33 2.515 2.141 -7.801 1.00 0.00 C ATOM 483 CG LEU A 33 1.460 1.818 -6.741 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.562 0.359 -6.292 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.553 2.789 -5.562 1.00 0.00 C ATOM 0 H LEU A 33 0.876 2.427 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 33 2.210 4.223 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.552 1.316 -8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.489 2.186 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 33 0.475 1.948 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.801 0.156 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.408 -0.297 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.550 0.177 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.792 2.538 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.540 2.715 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.393 3.807 -5.916 1.00 0.00 H new ATOM 497 N GLU A 34 4.013 5.011 -9.235 1.00 0.00 N ATOM 498 CA GLU A 34 5.142 5.501 -10.008 1.00 0.00 C ATOM 499 C GLU A 34 6.111 6.267 -9.104 1.00 0.00 C ATOM 500 O GLU A 34 5.985 7.480 -8.941 1.00 0.00 O ATOM 501 CB GLU A 34 4.672 6.374 -11.173 1.00 0.00 C ATOM 502 CG GLU A 34 3.793 5.574 -12.137 1.00 0.00 C ATOM 503 CD GLU A 34 2.983 6.506 -13.041 1.00 0.00 C ATOM 504 OE1 GLU A 34 3.624 7.339 -13.717 1.00 0.00 O ATOM 505 OE2 GLU A 34 1.741 6.364 -13.034 1.00 0.00 O ATOM 0 H GLU A 34 3.677 5.652 -8.517 1.00 0.00 H new ATOM 0 HA GLU A 34 5.668 4.644 -10.429 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.114 7.228 -10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.536 6.771 -11.707 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.417 4.921 -12.747 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.117 4.932 -11.572 1.00 0.00 H new ATOM 512 N ALA A 35 7.055 5.528 -8.542 1.00 0.00 N ATOM 513 CA ALA A 35 8.045 6.123 -7.659 1.00 0.00 C ATOM 514 C ALA A 35 8.993 6.999 -8.480 1.00 0.00 C ATOM 515 O ALA A 35 9.433 6.603 -9.559 1.00 0.00 O ATOM 516 CB ALA A 35 8.782 5.018 -6.900 1.00 0.00 C ATOM 0 H ALA A 35 7.156 4.522 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 35 7.564 6.762 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.524 5.464 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.068 4.443 -6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.280 4.358 -7.611 1.00 0.00 H new ATOM 522 N VAL A 36 9.280 8.173 -7.938 1.00 0.00 N ATOM 523 CA VAL A 36 10.168 9.109 -8.607 1.00 0.00 C ATOM 524 C VAL A 36 11.244 9.575 -7.625 1.00 0.00 C ATOM 525 O VAL A 36 11.257 10.735 -7.217 1.00 0.00 O ATOM 526 CB VAL A 36 9.360 10.265 -9.201 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.280 11.394 -9.668 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.465 9.778 -10.343 1.00 0.00 C ATOM 0 H VAL A 36 8.914 8.498 -7.043 1.00 0.00 H new ATOM 0 HA VAL A 36 10.676 8.624 -9.440 1.00 0.00 H new ATOM 0 HB VAL A 36 8.716 10.662 -8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.680 12.203 -10.086 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.855 11.769 -8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.961 11.016 -10.430 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.902 10.619 -10.748 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.082 9.343 -11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.773 9.025 -9.967 1.00 0.00 H new ATOM 631 N ASP A 45 15.930 -3.934 -4.321 1.00 0.00 N ATOM 632 CA ASP A 45 14.571 -4.049 -4.822 1.00 0.00 C ATOM 633 C ASP A 45 13.667 -3.078 -4.060 1.00 0.00 C ATOM 634 O ASP A 45 13.391 -3.278 -2.878 1.00 0.00 O ATOM 635 CB ASP A 45 14.025 -5.463 -4.616 1.00 0.00 C ATOM 636 CG ASP A 45 14.425 -6.474 -5.693 1.00 0.00 C ATOM 637 OD1 ASP A 45 14.334 -6.101 -6.883 1.00 0.00 O ATOM 638 OD2 ASP A 45 14.812 -7.596 -5.303 1.00 0.00 O ATOM 0 HA ASP A 45 14.585 -3.820 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.367 -5.831 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.937 -5.413 -4.572 1.00 0.00 H new ATOM 643 N CYS A 46 13.231 -2.046 -4.768 1.00 0.00 N ATOM 644 CA CYS A 46 12.363 -1.044 -4.173 1.00 0.00 C ATOM 645 C CYS A 46 10.913 -1.418 -4.484 1.00 0.00 C ATOM 646 O CYS A 46 10.590 -1.783 -5.613 1.00 0.00 O ATOM 647 CB CYS A 46 12.707 0.364 -4.663 1.00 0.00 C ATOM 648 SG CYS A 46 12.119 0.590 -6.382 1.00 0.00 S ATOM 0 H CYS A 46 13.463 -1.882 -5.748 1.00 0.00 H new ATOM 0 HA CYS A 46 12.509 -1.028 -3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.247 1.107 -4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.784 0.522 -4.615 1.00 0.00 H new ATOM 0 HG CYS A 46 11.259 -0.340 -6.672 1.00 0.00 H new ATOM 654 N TYR A 47 10.077 -1.314 -3.461 1.00 0.00 N ATOM 655 CA TYR A 47 8.668 -1.637 -3.611 1.00 0.00 C ATOM 656 C TYR A 47 7.794 -0.660 -2.821 1.00 0.00 C ATOM 657 O TYR A 47 8.245 -0.075 -1.837 1.00 0.00 O ATOM 658 CB TYR A 47 8.493 -3.042 -3.030 1.00 0.00 C ATOM 659 CG TYR A 47 8.924 -3.169 -1.568 1.00 0.00 C ATOM 660 CD1 TYR A 47 10.249 -3.392 -1.255 1.00 0.00 C ATOM 661 CD2 TYR A 47 7.986 -3.060 -0.561 1.00 0.00 C ATOM 662 CE1 TYR A 47 10.654 -3.511 0.121 1.00 0.00 C ATOM 663 CE2 TYR A 47 8.391 -3.179 0.816 1.00 0.00 C ATOM 664 CZ TYR A 47 9.705 -3.399 1.089 1.00 0.00 C ATOM 665 OH TYR A 47 10.088 -3.512 2.389 1.00 0.00 O ATOM 0 H TYR A 47 10.348 -1.011 -2.526 1.00 0.00 H new ATOM 0 HA TYR A 47 8.370 -1.577 -4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.446 -3.332 -3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.069 -3.747 -3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.983 -3.477 -2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.949 -2.886 -0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.688 -3.685 0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.668 -3.095 1.614 1.00 0.00 H new ATOM 0 HH TYR A 47 9.326 -3.315 2.973 1.00 0.00 H new ATOM 675 N VAL A 48 6.561 -0.514 -3.282 1.00 0.00 N ATOM 676 CA VAL A 48 5.620 0.382 -2.631 1.00 0.00 C ATOM 677 C VAL A 48 4.826 -0.395 -1.580 1.00 0.00 C ATOM 678 O VAL A 48 4.688 -1.613 -1.677 1.00 0.00 O ATOM 679 CB VAL A 48 4.729 1.055 -3.677 1.00 0.00 C ATOM 680 CG1 VAL A 48 3.912 2.189 -3.054 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.558 1.563 -4.859 1.00 0.00 C ATOM 0 H VAL A 48 6.191 -1.001 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 48 6.150 1.181 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 48 4.032 0.307 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.287 2.650 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.279 1.789 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.587 2.937 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.900 2.037 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.290 2.289 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.075 0.726 -5.328 1.00 0.00 H new ATOM 691 N GLN A 49 4.324 0.341 -0.599 1.00 0.00 N ATOM 692 CA GLN A 49 3.547 -0.264 0.469 1.00 0.00 C ATOM 693 C GLN A 49 2.531 0.739 1.020 1.00 0.00 C ATOM 694 O GLN A 49 2.888 1.865 1.363 1.00 0.00 O ATOM 695 CB GLN A 49 4.458 -0.788 1.580 1.00 0.00 C ATOM 696 CG GLN A 49 3.663 -1.605 2.601 1.00 0.00 C ATOM 697 CD GLN A 49 4.382 -1.646 3.951 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.542 -2.012 4.055 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.633 -1.250 4.975 1.00 0.00 N ATOM 0 H GLN A 49 4.441 1.351 -0.522 1.00 0.00 H new ATOM 0 HA GLN A 49 3.003 -1.115 0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.246 -1.406 1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.947 0.049 2.079 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.671 -1.171 2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.522 -2.620 2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.669 -0.956 4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.022 -1.240 5.918 1.00 0.00 H new ATOM 708 N GLY A 50 1.285 0.294 1.087 1.00 0.00 N ATOM 709 CA GLY A 50 0.215 1.138 1.590 1.00 0.00 C ATOM 710 C GLY A 50 -0.322 0.608 2.922 1.00 0.00 C ATOM 711 O GLY A 50 -0.867 -0.493 2.981 1.00 0.00 O ATOM 0 H GLY A 50 0.993 -0.640 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.581 2.156 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.593 1.181 0.860 1.00 0.00 H new ATOM 715 N SER A 51 -0.148 1.417 3.957 1.00 0.00 N ATOM 716 CA SER A 51 -0.608 1.043 5.284 1.00 0.00 C ATOM 717 C SER A 51 -1.833 1.876 5.667 1.00 0.00 C ATOM 718 O SER A 51 -1.820 3.099 5.541 1.00 0.00 O ATOM 719 CB SER A 51 0.501 1.222 6.322 1.00 0.00 C ATOM 720 OG SER A 51 1.152 2.484 6.196 1.00 0.00 O ATOM 0 H SER A 51 0.305 2.329 3.904 1.00 0.00 H new ATOM 0 HA SER A 51 -0.884 -0.011 5.266 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.079 1.130 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.234 0.423 6.211 1.00 0.00 H new ATOM 0 HG SER A 51 0.677 3.033 5.538 1.00 0.00 H new ATOM 726 N VAL A 52 -2.862 1.179 6.127 1.00 0.00 N ATOM 727 CA VAL A 52 -4.092 1.839 6.529 1.00 0.00 C ATOM 728 C VAL A 52 -4.353 1.563 8.011 1.00 0.00 C ATOM 729 O VAL A 52 -3.903 0.551 8.546 1.00 0.00 O ATOM 730 CB VAL A 52 -5.245 1.393 5.627 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.517 1.150 6.441 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.493 2.411 4.511 1.00 0.00 C ATOM 0 H VAL A 52 -2.869 0.164 6.230 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.002 2.919 6.409 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.961 0.449 5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.320 0.834 5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.332 0.372 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.806 2.071 6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.317 2.070 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.745 3.377 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.593 2.512 3.904 1.00 0.00 H new ATOM 742 N ALA A 53 -5.078 2.482 8.633 1.00 0.00 N ATOM 743 CA ALA A 53 -5.403 2.351 10.043 1.00 0.00 C ATOM 744 C ALA A 53 -6.871 2.724 10.260 1.00 0.00 C ATOM 745 O ALA A 53 -7.250 3.883 10.098 1.00 0.00 O ATOM 746 CB ALA A 53 -4.452 3.218 10.869 1.00 0.00 C ATOM 0 H ALA A 53 -5.449 3.320 8.186 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.273 1.320 10.373 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.696 3.120 11.927 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.425 2.893 10.702 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.556 4.260 10.568 1.00 0.00 H new ATOM 752 N ASN A 54 -7.656 1.721 10.623 1.00 0.00 N ATOM 753 CA ASN A 54 -9.074 1.930 10.864 1.00 0.00 C ATOM 754 C ASN A 54 -9.376 1.689 12.344 1.00 0.00 C ATOM 755 O ASN A 54 -8.581 1.072 13.051 1.00 0.00 O ATOM 756 CB ASN A 54 -9.922 0.956 10.043 1.00 0.00 C ATOM 757 CG ASN A 54 -9.077 -0.215 9.538 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.269 -0.785 10.253 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.307 -0.541 8.270 1.00 0.00 N ATOM 0 H ASN A 54 -7.338 0.761 10.756 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.318 2.952 10.575 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.743 0.580 10.653 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.367 1.480 9.197 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.793 -1.310 7.840 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.998 -0.022 7.727 1.00 0.00 H new ATOM 766 N ARG A 55 -10.528 2.189 12.769 1.00 0.00 N ATOM 767 CA ARG A 55 -10.945 2.035 14.152 1.00 0.00 C ATOM 768 C ARG A 55 -10.980 0.554 14.535 1.00 0.00 C ATOM 769 O ARG A 55 -10.980 0.215 15.717 1.00 0.00 O ATOM 770 CB ARG A 55 -12.328 2.647 14.381 1.00 0.00 C ATOM 771 CG ARG A 55 -12.231 3.926 15.215 1.00 0.00 C ATOM 772 CD ARG A 55 -13.622 4.478 15.536 1.00 0.00 C ATOM 773 NE ARG A 55 -13.640 5.040 16.905 1.00 0.00 N ATOM 774 CZ ARG A 55 -13.046 6.189 17.254 1.00 0.00 C ATOM 775 NH1 ARG A 55 -12.383 6.906 16.336 1.00 0.00 N ATOM 776 NH2 ARG A 55 -13.114 6.621 18.520 1.00 0.00 N ATOM 0 H ARG A 55 -11.185 2.701 12.180 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.221 2.558 14.777 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.795 2.869 13.421 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.969 1.926 14.888 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.695 3.721 16.141 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.655 4.675 14.672 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.892 5.249 14.814 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.366 3.686 15.449 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.136 4.520 17.629 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.331 6.577 15.372 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.931 7.781 16.601 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.618 6.075 19.219 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.662 7.496 18.785 1.00 0.00 H new ATOM 790 N THR A 56 -11.008 -0.288 13.513 1.00 0.00 N ATOM 791 CA THR A 56 -11.043 -1.725 13.727 1.00 0.00 C ATOM 792 C THR A 56 -9.625 -2.273 13.900 1.00 0.00 C ATOM 793 O THR A 56 -9.428 -3.300 14.547 1.00 0.00 O ATOM 794 CB THR A 56 -11.801 -2.359 12.559 1.00 0.00 C ATOM 795 OG1 THR A 56 -10.841 -2.408 11.508 1.00 0.00 O ATOM 796 CG2 THR A 56 -12.904 -1.449 12.014 1.00 0.00 C ATOM 0 H THR A 56 -11.007 -0.003 12.534 1.00 0.00 H new ATOM 0 HA THR A 56 -11.569 -1.975 14.648 1.00 0.00 H new ATOM 0 HB THR A 56 -12.237 -3.305 12.880 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.248 -2.807 10.711 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.411 -1.946 11.187 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.623 -1.236 12.805 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.465 -0.516 11.662 1.00 0.00 H new ATOM 804 N GLY A 57 -8.675 -1.562 13.311 1.00 0.00 N ATOM 805 CA GLY A 57 -7.281 -1.964 13.392 1.00 0.00 C ATOM 806 C GLY A 57 -6.445 -1.263 12.320 1.00 0.00 C ATOM 807 O GLY A 57 -6.536 -0.048 12.152 1.00 0.00 O ATOM 0 H GLY A 57 -8.843 -0.710 12.776 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.887 -1.725 14.380 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.203 -3.044 13.270 1.00 0.00 H new ATOM 811 N SER A 58 -5.648 -2.059 11.622 1.00 0.00 N ATOM 812 CA SER A 58 -4.796 -1.531 10.571 1.00 0.00 C ATOM 813 C SER A 58 -4.496 -2.622 9.541 1.00 0.00 C ATOM 814 O SER A 58 -4.673 -3.807 9.819 1.00 0.00 O ATOM 815 CB SER A 58 -3.493 -0.972 11.146 1.00 0.00 C ATOM 816 OG SER A 58 -2.893 -1.868 12.077 1.00 0.00 O ATOM 0 H SER A 58 -5.575 -3.066 11.764 1.00 0.00 H new ATOM 0 HA SER A 58 -5.326 -0.714 10.081 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.794 -0.772 10.333 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.692 -0.019 11.637 1.00 0.00 H new ATOM 0 HG SER A 58 -2.063 -1.476 12.420 1.00 0.00 H new ATOM 822 N VAL A 59 -4.047 -2.184 8.374 1.00 0.00 N ATOM 823 CA VAL A 59 -3.721 -3.109 7.302 1.00 0.00 C ATOM 824 C VAL A 59 -2.409 -2.678 6.645 1.00 0.00 C ATOM 825 O VAL A 59 -1.826 -1.662 7.021 1.00 0.00 O ATOM 826 CB VAL A 59 -4.886 -3.195 6.313 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.063 -3.963 6.918 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.319 -1.801 5.854 1.00 0.00 C ATOM 0 H VAL A 59 -3.901 -1.200 8.147 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.572 -4.114 7.696 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.542 -3.745 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.877 -4.010 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.745 -4.974 7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.406 -3.453 7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.148 -1.890 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.636 -1.216 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.482 -1.302 5.365 1.00 0.00 H new ATOM 838 N GLU A 60 -1.982 -3.472 5.673 1.00 0.00 N ATOM 839 CA GLU A 60 -0.750 -3.186 4.960 1.00 0.00 C ATOM 840 C GLU A 60 -0.709 -3.958 3.640 1.00 0.00 C ATOM 841 O GLU A 60 -0.929 -5.168 3.617 1.00 0.00 O ATOM 842 CB GLU A 60 0.471 -3.510 5.823 1.00 0.00 C ATOM 843 CG GLU A 60 0.600 -2.522 6.984 1.00 0.00 C ATOM 844 CD GLU A 60 2.023 -2.520 7.547 1.00 0.00 C ATOM 845 OE1 GLU A 60 2.402 -3.556 8.135 1.00 0.00 O ATOM 846 OE2 GLU A 60 2.699 -1.483 7.377 1.00 0.00 O ATOM 0 H GLU A 60 -2.468 -4.313 5.363 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.722 -2.120 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.387 -4.525 6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.372 -3.477 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.338 -1.520 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.106 -2.786 7.771 1.00 0.00 H new ATOM 853 N ALA A 61 -0.426 -3.227 2.572 1.00 0.00 N ATOM 854 CA ALA A 61 -0.353 -3.828 1.251 1.00 0.00 C ATOM 855 C ALA A 61 0.914 -3.343 0.543 1.00 0.00 C ATOM 856 O ALA A 61 1.523 -2.358 0.958 1.00 0.00 O ATOM 857 CB ALA A 61 -1.624 -3.493 0.467 1.00 0.00 C ATOM 0 H ALA A 61 -0.244 -2.224 2.594 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.293 -4.914 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.570 -3.944 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.492 -3.885 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.717 -2.411 0.369 1.00 0.00 H new ATOM 863 N GLN A 62 1.273 -4.057 -0.513 1.00 0.00 N ATOM 864 CA GLN A 62 2.457 -3.712 -1.283 1.00 0.00 C ATOM 865 C GLN A 62 2.420 -4.398 -2.650 1.00 0.00 C ATOM 866 O GLN A 62 1.525 -5.196 -2.924 1.00 0.00 O ATOM 867 CB GLN A 62 3.732 -4.077 -0.520 1.00 0.00 C ATOM 868 CG GLN A 62 3.628 -5.480 0.081 1.00 0.00 C ATOM 869 CD GLN A 62 4.476 -6.479 -0.709 1.00 0.00 C ATOM 870 OE1 GLN A 62 4.259 -6.723 -1.884 1.00 0.00 O ATOM 871 NE2 GLN A 62 5.450 -7.042 0.000 1.00 0.00 N ATOM 0 H GLN A 62 0.765 -4.873 -0.854 1.00 0.00 H new ATOM 0 HA GLN A 62 2.463 -2.633 -1.440 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.589 -4.028 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.906 -3.350 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.957 -5.460 1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.587 -5.803 0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.577 -6.792 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.071 -7.723 -0.437 1.00 0.00 H new ATOM 880 N THR A 63 3.403 -4.062 -3.471 1.00 0.00 N ATOM 881 CA THR A 63 3.495 -4.636 -4.803 1.00 0.00 C ATOM 882 C THR A 63 4.690 -5.587 -4.893 1.00 0.00 C ATOM 883 O THR A 63 5.365 -5.838 -3.896 1.00 0.00 O ATOM 884 CB THR A 63 3.556 -3.486 -5.810 1.00 0.00 C ATOM 885 OG1 THR A 63 4.614 -2.660 -5.330 1.00 0.00 O ATOM 886 CG2 THR A 63 2.321 -2.585 -5.746 1.00 0.00 C ATOM 0 H THR A 63 4.143 -3.399 -3.240 1.00 0.00 H new ATOM 0 HA THR A 63 2.619 -5.243 -5.033 1.00 0.00 H new ATOM 0 HB THR A 63 3.658 -3.891 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.231 -2.460 -6.064 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.415 -1.785 -6.481 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.430 -3.174 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.237 -2.153 -4.749 1.00 0.00 H new ATOM 894 N ALA A 64 4.916 -6.089 -6.098 1.00 0.00 N ATOM 895 CA ALA A 64 6.018 -7.007 -6.332 1.00 0.00 C ATOM 896 C ALA A 64 7.311 -6.209 -6.513 1.00 0.00 C ATOM 897 O ALA A 64 7.343 -5.235 -7.263 1.00 0.00 O ATOM 898 CB ALA A 64 5.702 -7.888 -7.542 1.00 0.00 C ATOM 0 H ALA A 64 4.355 -5.877 -6.923 1.00 0.00 H new ATOM 0 HA ALA A 64 6.155 -7.668 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.529 -8.576 -7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.792 -8.456 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.560 -7.260 -8.422 1.00 0.00 H new ATOM 904 N LEU A 65 8.345 -6.652 -5.813 1.00 0.00 N ATOM 905 CA LEU A 65 9.637 -5.991 -5.887 1.00 0.00 C ATOM 906 C LEU A 65 9.923 -5.601 -7.339 1.00 0.00 C ATOM 907 O LEU A 65 9.458 -6.262 -8.266 1.00 0.00 O ATOM 908 CB LEU A 65 10.724 -6.867 -5.260 1.00 0.00 C ATOM 909 CG LEU A 65 10.776 -6.879 -3.731 1.00 0.00 C ATOM 910 CD1 LEU A 65 10.858 -5.456 -3.174 1.00 0.00 C ATOM 911 CD2 LEU A 65 9.594 -7.655 -3.148 1.00 0.00 C ATOM 0 H LEU A 65 8.314 -7.461 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 65 9.627 -5.070 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.583 -7.891 -5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.692 -6.534 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 65 11.684 -7.398 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.894 -5.493 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.758 -4.969 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.981 -4.891 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.655 -7.648 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.661 -7.187 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.622 -8.684 -3.506 1.00 0.00 H new ATOM 923 N LYS A 66 10.687 -4.529 -7.491 1.00 0.00 N ATOM 924 CA LYS A 66 11.040 -4.043 -8.814 1.00 0.00 C ATOM 925 C LYS A 66 12.511 -3.622 -8.822 1.00 0.00 C ATOM 926 O LYS A 66 13.204 -3.755 -7.814 1.00 0.00 O ATOM 927 CB LYS A 66 10.080 -2.935 -9.252 1.00 0.00 C ATOM 928 CG LYS A 66 8.750 -3.520 -9.732 1.00 0.00 C ATOM 929 CD LYS A 66 8.761 -3.735 -11.247 1.00 0.00 C ATOM 930 CE LYS A 66 7.382 -4.170 -11.748 1.00 0.00 C ATOM 931 NZ LYS A 66 7.196 -3.771 -13.161 1.00 0.00 N ATOM 0 H LYS A 66 11.071 -3.983 -6.720 1.00 0.00 H new ATOM 0 HA LYS A 66 10.931 -4.837 -9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.902 -2.253 -8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.534 -2.351 -10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.562 -4.468 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.935 -2.849 -9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.060 -2.813 -11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.501 -4.492 -11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.278 -5.251 -11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.605 -3.719 -11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.462 -4.366 -13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.905 -2.774 -13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.091 -3.893 -13.677 1.00 0.00 H new ATOM 945 N LYS A 67 12.944 -3.122 -9.970 1.00 0.00 N ATOM 946 CA LYS A 67 14.319 -2.680 -10.122 1.00 0.00 C ATOM 947 C LYS A 67 14.370 -1.152 -10.054 1.00 0.00 C ATOM 948 O LYS A 67 13.823 -0.470 -10.919 1.00 0.00 O ATOM 949 CB LYS A 67 14.930 -3.259 -11.399 1.00 0.00 C ATOM 950 CG LYS A 67 16.134 -2.433 -11.855 1.00 0.00 C ATOM 951 CD LYS A 67 17.309 -3.337 -12.233 1.00 0.00 C ATOM 952 CE LYS A 67 16.939 -4.261 -13.394 1.00 0.00 C ATOM 953 NZ LYS A 67 17.846 -5.430 -13.437 1.00 0.00 N ATOM 0 H LYS A 67 12.366 -3.013 -10.804 1.00 0.00 H new ATOM 0 HA LYS A 67 14.932 -3.057 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.237 -4.290 -11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.179 -3.280 -12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.854 -1.818 -12.710 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.436 -1.753 -11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.168 -2.726 -12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.606 -3.933 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.908 -4.597 -13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.997 -3.714 -14.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.580 -6.047 -14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.826 -5.105 -13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.770 -5.961 -12.546 1.00 0.00 H new ATOM 967 N ARG A 68 15.033 -0.659 -9.018 1.00 0.00 N ATOM 968 CA ARG A 68 15.162 0.776 -8.826 1.00 0.00 C ATOM 969 C ARG A 68 15.477 1.463 -10.157 1.00 0.00 C ATOM 970 O ARG A 68 16.450 1.114 -10.824 1.00 0.00 O ATOM 971 CB ARG A 68 16.267 1.099 -7.819 1.00 0.00 C ATOM 972 CG ARG A 68 15.952 2.386 -7.054 1.00 0.00 C ATOM 973 CD ARG A 68 16.945 2.601 -5.910 1.00 0.00 C ATOM 974 NE ARG A 68 16.656 3.880 -5.223 1.00 0.00 N ATOM 975 CZ ARG A 68 15.628 4.066 -4.383 1.00 0.00 C ATOM 976 NH1 ARG A 68 14.785 3.058 -4.122 1.00 0.00 N ATOM 977 NH2 ARG A 68 15.443 5.261 -3.805 1.00 0.00 N ATOM 0 H ARG A 68 15.487 -1.228 -8.303 1.00 0.00 H new ATOM 0 HA ARG A 68 14.213 1.146 -8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.378 0.272 -7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.219 1.205 -8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.987 3.236 -7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.938 2.338 -6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.880 1.775 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 68 17.964 2.609 -6.298 1.00 0.00 H new ATOM 0 HE ARG A 68 17.278 4.669 -5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.925 2.149 -4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.003 3.200 -3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.084 6.029 -4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.661 5.403 -3.166 1.00 0.00 H new ATOM 991 N GLN A 69 14.636 2.426 -10.503 1.00 0.00 N ATOM 992 CA GLN A 69 14.813 3.165 -11.741 1.00 0.00 C ATOM 993 C GLN A 69 14.506 4.648 -11.523 1.00 0.00 C ATOM 994 O GLN A 69 14.085 5.045 -10.438 1.00 0.00 O ATOM 995 CB GLN A 69 13.941 2.583 -12.856 1.00 0.00 C ATOM 996 CG GLN A 69 14.428 1.191 -13.263 1.00 0.00 C ATOM 997 CD GLN A 69 15.290 1.259 -14.525 1.00 0.00 C ATOM 998 OE1 GLN A 69 16.433 0.832 -14.552 1.00 0.00 O ATOM 999 NE2 GLN A 69 14.681 1.820 -15.567 1.00 0.00 N ATOM 0 H GLN A 69 13.830 2.712 -9.947 1.00 0.00 H new ATOM 0 HA GLN A 69 15.854 3.071 -12.051 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.905 2.526 -12.520 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.960 3.246 -13.721 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.003 0.751 -12.449 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.572 0.539 -13.438 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.722 2.157 -15.477 1.00 0.00 H new ATOM 0 HE22 GLN A 69 15.173 1.913 -16.456 1.00 0.00 H new ATOM 1008 N LEU A 70 14.730 5.426 -12.572 1.00 0.00 N ATOM 1009 CA LEU A 70 14.483 6.857 -12.508 1.00 0.00 C ATOM 1010 C LEU A 70 12.974 7.110 -12.518 1.00 0.00 C ATOM 1011 O LEU A 70 12.531 8.247 -12.360 1.00 0.00 O ATOM 1012 CB LEU A 70 15.235 7.580 -13.627 1.00 0.00 C ATOM 1013 CG LEU A 70 16.597 8.165 -13.249 1.00 0.00 C ATOM 1014 CD1 LEU A 70 16.499 9.005 -11.974 1.00 0.00 C ATOM 1015 CD2 LEU A 70 17.653 7.064 -13.131 1.00 0.00 C ATOM 0 H LEU A 70 15.080 5.093 -13.470 1.00 0.00 H new ATOM 0 HA LEU A 70 14.870 7.270 -11.576 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.378 6.882 -14.452 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.605 8.388 -13.998 1.00 0.00 H new ATOM 0 HG LEU A 70 16.916 8.832 -14.050 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.481 9.409 -11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.798 9.825 -12.132 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.147 8.380 -11.153 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.612 7.507 -12.861 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.353 6.353 -12.362 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.748 6.547 -14.086 1.00 0.00 H new ATOM 1027 N HIS A 71 12.226 6.032 -12.705 1.00 0.00 N ATOM 1028 CA HIS A 71 10.776 6.124 -12.737 1.00 0.00 C ATOM 1029 C HIS A 71 10.175 4.719 -12.804 1.00 0.00 C ATOM 1030 O HIS A 71 9.704 4.291 -13.857 1.00 0.00 O ATOM 1031 CB HIS A 71 10.314 7.022 -13.886 1.00 0.00 C ATOM 1032 CG HIS A 71 8.902 7.536 -13.734 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.231 8.196 -14.749 1.00 0.00 N ATOM 1034 CD2 HIS A 71 8.041 7.478 -12.677 1.00 0.00 C ATOM 1035 CE1 HIS A 71 7.023 8.518 -14.311 1.00 0.00 C ATOM 1036 NE2 HIS A 71 6.907 8.072 -13.027 1.00 0.00 N ATOM 0 H HIS A 71 12.597 5.091 -12.836 1.00 0.00 H new ATOM 0 HA HIS A 71 10.417 6.592 -11.820 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.992 7.871 -13.965 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.389 6.466 -14.821 1.00 0.00 H new ATOM 0 HD1 HIS A 71 8.603 8.400 -15.676 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.247 7.026 -11.718 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.263 9.042 -14.872 1.00 0.00 H new ATOM 1044 N THR A 72 10.210 4.040 -11.667 1.00 0.00 N ATOM 1045 CA THR A 72 9.675 2.691 -11.584 1.00 0.00 C ATOM 1046 C THR A 72 8.145 2.723 -11.610 1.00 0.00 C ATOM 1047 O THR A 72 7.529 3.625 -11.046 1.00 0.00 O ATOM 1048 CB THR A 72 10.247 2.032 -10.327 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.628 1.850 -10.628 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.720 0.611 -10.120 1.00 0.00 C ATOM 0 H THR A 72 10.600 4.398 -10.795 1.00 0.00 H new ATOM 0 HA THR A 72 9.972 2.093 -12.446 1.00 0.00 H new ATOM 0 HB THR A 72 10.004 2.640 -9.456 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.076 1.429 -9.865 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.157 0.189 -9.215 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.635 0.636 -10.021 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.992 -0.006 -10.976 1.00 0.00 H new ATOM 1058 N THR A 73 7.577 1.726 -12.272 1.00 0.00 N ATOM 1059 CA THR A 73 6.131 1.628 -12.380 1.00 0.00 C ATOM 1060 C THR A 73 5.674 0.188 -12.139 1.00 0.00 C ATOM 1061 O THR A 73 6.396 -0.757 -12.454 1.00 0.00 O ATOM 1062 CB THR A 73 5.721 2.174 -13.750 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.462 1.383 -14.675 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.227 3.598 -13.988 1.00 0.00 C ATOM 0 H THR A 73 8.091 0.979 -12.739 1.00 0.00 H new ATOM 0 HA THR A 73 5.636 2.225 -11.614 1.00 0.00 H new ATOM 0 HB THR A 73 4.635 2.156 -13.838 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.255 1.669 -15.589 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.909 3.937 -14.974 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.818 4.262 -13.226 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.316 3.611 -13.934 1.00 0.00 H new ATOM 1072 N TRP A 74 4.478 0.065 -11.582 1.00 0.00 N ATOM 1073 CA TRP A 74 3.917 -1.244 -11.295 1.00 0.00 C ATOM 1074 C TRP A 74 2.683 -1.433 -12.179 1.00 0.00 C ATOM 1075 O TRP A 74 2.193 -0.479 -12.780 1.00 0.00 O ATOM 1076 CB TRP A 74 3.613 -1.394 -9.803 1.00 0.00 C ATOM 1077 CG TRP A 74 4.858 -1.523 -8.924 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.432 -2.644 -8.465 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.665 -0.441 -8.412 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.545 -2.365 -7.699 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.691 -0.983 -7.666 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.532 0.949 -8.576 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.664 -0.207 -7.023 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.512 1.710 -7.927 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.551 1.180 -7.172 1.00 0.00 C ATOM 0 H TRP A 74 3.882 0.851 -11.322 1.00 0.00 H new ATOM 0 HA TRP A 74 4.634 -2.031 -11.526 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.035 -0.531 -9.472 1.00 0.00 H new ATOM 0 HB3 TRP A 74 2.985 -2.273 -9.657 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.069 -3.640 -8.669 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.149 -3.047 -7.241 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.737 1.394 -9.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.458 -0.655 -6.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.456 2.785 -8.020 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.269 1.836 -6.702 1.00 0.00 H new ATOM 1096 N GLU A 75 2.216 -2.672 -12.230 1.00 0.00 N ATOM 1097 CA GLU A 75 1.048 -2.999 -13.031 1.00 0.00 C ATOM 1098 C GLU A 75 -0.197 -3.079 -12.146 1.00 0.00 C ATOM 1099 O GLU A 75 -1.268 -2.612 -12.531 1.00 0.00 O ATOM 1100 CB GLU A 75 1.259 -4.305 -13.800 1.00 0.00 C ATOM 1101 CG GLU A 75 1.154 -4.076 -15.309 1.00 0.00 C ATOM 1102 CD GLU A 75 1.577 -5.326 -16.084 1.00 0.00 C ATOM 1103 OE1 GLU A 75 0.820 -6.319 -16.016 1.00 0.00 O ATOM 1104 OE2 GLU A 75 2.647 -5.260 -16.726 1.00 0.00 O ATOM 0 H GLU A 75 2.625 -3.461 -11.730 1.00 0.00 H new ATOM 0 HA GLU A 75 0.899 -2.205 -13.763 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.238 -4.719 -13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.516 -5.039 -13.487 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.129 -3.811 -15.570 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.784 -3.234 -15.597 1.00 0.00 H new ATOM 1111 N GLU A 76 -0.015 -3.674 -10.976 1.00 0.00 N ATOM 1112 CA GLU A 76 -1.111 -3.820 -10.032 1.00 0.00 C ATOM 1113 C GLU A 76 -1.072 -2.696 -8.995 1.00 0.00 C ATOM 1114 O GLU A 76 -0.112 -1.930 -8.941 1.00 0.00 O ATOM 1115 CB GLU A 76 -1.072 -5.192 -9.356 1.00 0.00 C ATOM 1116 CG GLU A 76 0.152 -5.321 -8.447 1.00 0.00 C ATOM 1117 CD GLU A 76 0.093 -6.612 -7.628 1.00 0.00 C ATOM 1118 OE1 GLU A 76 0.417 -7.669 -8.211 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -0.275 -6.513 -6.438 1.00 0.00 O ATOM 0 H GLU A 76 0.874 -4.061 -10.660 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.050 -3.748 -10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.980 -5.339 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.050 -5.975 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.060 -5.310 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.204 -4.463 -7.777 1.00 0.00 H new ATOM 1126 N GLY A 77 -2.129 -2.634 -8.198 1.00 0.00 N ATOM 1127 CA GLY A 77 -2.228 -1.617 -7.165 1.00 0.00 C ATOM 1128 C GLY A 77 -2.467 -2.250 -5.793 1.00 0.00 C ATOM 1129 O GLY A 77 -2.864 -3.411 -5.701 1.00 0.00 O ATOM 0 H GLY A 77 -2.924 -3.271 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.312 -1.026 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.043 -0.933 -7.401 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.217 -1.459 -4.760 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.401 -1.927 -3.397 1.00 0.00 C ATOM 1135 C LEU A 78 -3.897 -2.046 -3.100 1.00 0.00 C ATOM 1136 O LEU A 78 -4.722 -1.485 -3.819 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.649 -1.026 -2.415 1.00 0.00 C ATOM 1138 CG LEU A 78 -0.198 -0.704 -2.776 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.553 -0.132 -1.572 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.506 -1.930 -3.361 1.00 0.00 C ATOM 0 H LEU A 78 -1.888 -0.497 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.972 -2.921 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.196 -0.088 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.662 -1.501 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.201 0.065 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.582 0.088 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.064 0.784 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.548 -0.860 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.536 -1.674 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.499 -2.737 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.015 -2.253 -4.262 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.201 -2.782 -2.041 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.583 -2.982 -1.641 1.00 0.00 C ATOM 1154 C VAL A 79 -5.648 -3.172 -0.124 1.00 0.00 C ATOM 1155 O VAL A 79 -5.131 -4.155 0.405 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.188 -4.154 -2.417 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -7.669 -4.332 -2.074 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -5.992 -3.973 -3.923 1.00 0.00 C ATOM 0 H VAL A 79 -3.514 -3.247 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.182 -2.105 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.663 -5.061 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.075 -5.171 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.774 -4.528 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.214 -3.424 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.431 -4.819 -4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.478 -3.052 -4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.927 -3.918 -4.147 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.287 -2.216 0.534 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.427 -2.266 1.979 1.00 0.00 C ATOM 1170 C LEU A 80 -7.912 -2.304 2.343 1.00 0.00 C ATOM 1171 O LEU A 80 -8.712 -1.558 1.781 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.663 -1.111 2.631 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.137 -1.224 2.619 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.694 -2.683 2.752 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.548 -0.558 1.374 1.00 0.00 C ATOM 0 H LEU A 80 -6.714 -1.402 0.092 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.979 -3.178 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.943 -0.186 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.993 -1.022 3.666 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.748 -0.689 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.605 -2.735 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.067 -3.092 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.094 -3.262 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.462 -0.652 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.941 -1.044 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.820 0.497 1.363 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.245 -3.205 3.306 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.620 -3.351 3.752 1.00 0.00 C ATOM 1189 C PRO A 81 -10.031 -2.184 4.653 1.00 0.00 C ATOM 1190 O PRO A 81 -9.393 -1.929 5.673 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.664 -4.694 4.462 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.220 -5.036 4.794 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.324 -4.106 3.993 1.00 0.00 C ATOM 0 HA PRO A 81 -10.334 -3.328 2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.270 -4.638 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.110 -5.458 3.826 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.036 -4.918 5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.008 -6.076 4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.643 -3.556 4.642 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.710 -4.661 3.284 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.094 -1.507 4.243 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.597 -0.374 5.000 1.00 0.00 C ATOM 1203 C LEU A 82 -13.090 -0.200 4.717 1.00 0.00 C ATOM 1204 O LEU A 82 -13.516 -0.242 3.564 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.766 0.877 4.709 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.316 2.192 5.264 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -12.330 2.812 4.301 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -11.901 1.994 6.664 1.00 0.00 C ATOM 0 H LEU A 82 -11.620 -1.722 3.396 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.494 -0.555 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.765 0.726 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.662 0.977 3.629 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.489 2.896 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.705 3.746 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.848 3.011 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -13.160 2.121 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.285 2.944 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.712 1.267 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.123 1.630 7.335 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.845 -0.007 5.789 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.282 0.174 5.670 1.00 0.00 C ATOM 1222 C ALA A 83 -15.582 1.640 5.353 1.00 0.00 C ATOM 1223 O ALA A 83 -14.830 2.530 5.747 1.00 0.00 O ATOM 1224 CB ALA A 83 -15.964 -0.296 6.957 1.00 0.00 C ATOM 0 H ALA A 83 -13.488 0.028 6.744 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.679 -0.428 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.042 -0.160 6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.743 -1.351 7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.593 0.288 7.799 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.683 1.846 4.645 1.00 0.00 N ATOM 1231 CA GLU A 84 -17.092 3.189 4.271 1.00 0.00 C ATOM 1232 C GLU A 84 -17.498 3.985 5.513 1.00 0.00 C ATOM 1233 O GLU A 84 -17.548 5.214 5.478 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.229 3.150 3.248 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.341 4.481 2.502 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.794 4.782 2.130 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.535 3.802 1.900 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.131 5.984 2.085 1.00 0.00 O ATOM 0 H GLU A 84 -17.304 1.105 4.321 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.244 3.690 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.055 2.343 2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.170 2.932 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.948 5.285 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.730 4.448 1.600 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.778 3.253 6.581 1.00 0.00 N ATOM 1246 CA GLU A 85 -18.178 3.876 7.831 1.00 0.00 C ATOM 1247 C GLU A 85 -16.945 4.272 8.645 1.00 0.00 C ATOM 1248 O GLU A 85 -17.065 4.909 9.691 1.00 0.00 O ATOM 1249 CB GLU A 85 -19.092 2.951 8.637 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.299 1.798 9.254 1.00 0.00 C ATOM 1251 CD GLU A 85 -19.213 0.613 9.575 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -20.252 0.858 10.225 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -18.852 -0.511 9.163 1.00 0.00 O ATOM 0 H GLU A 85 -17.736 2.234 6.606 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.742 4.779 7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.587 3.519 9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.875 2.554 7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.516 1.481 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.805 2.138 10.164 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.787 3.879 8.135 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.533 4.185 8.801 1.00 0.00 C ATOM 1262 C GLU A 86 -13.670 5.091 7.920 1.00 0.00 C ATOM 1263 O GLU A 86 -12.632 5.584 8.358 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.782 2.905 9.172 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.621 2.027 10.103 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.837 1.660 11.364 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.590 1.659 11.277 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -14.502 1.388 12.387 1.00 0.00 O ATOM 0 H GLU A 86 -15.691 3.351 7.268 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.757 4.717 9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.534 2.349 8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.840 3.160 9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.535 2.553 10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.921 1.119 9.580 1.00 0.00 H new ATOM 1275 N LEU A 87 -14.132 5.282 6.693 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.416 6.120 5.746 1.00 0.00 C ATOM 1277 C LEU A 87 -12.888 7.361 6.467 1.00 0.00 C ATOM 1278 O LEU A 87 -11.706 7.688 6.364 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.300 6.440 4.538 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.255 5.432 3.388 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.416 5.655 2.417 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.899 5.469 2.679 1.00 0.00 C ATOM 0 H LEU A 87 -14.993 4.871 6.333 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.551 5.590 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.331 6.525 4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.011 7.417 4.150 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.373 4.432 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.360 4.925 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.361 5.538 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.355 6.661 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.894 4.743 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.726 6.467 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.110 5.223 3.390 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.813 8.037 7.200 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.452 9.235 7.939 1.00 0.00 C ATOM 1296 C PRO A 88 -12.658 8.885 9.199 1.00 0.00 C ATOM 1297 O PRO A 88 -11.887 9.702 9.698 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.773 9.923 8.241 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.846 8.860 8.071 1.00 0.00 C ATOM 1300 CD PRO A 88 -15.221 7.679 7.346 1.00 0.00 C ATOM 0 HA PRO A 88 -12.794 9.895 7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.780 10.327 9.253 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.941 10.760 7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.234 8.550 9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.688 9.255 7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.338 6.757 7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.691 7.516 6.376 1.00 0.00 H new ATOM 1308 N THR A 89 -12.875 7.668 9.677 1.00 0.00 N ATOM 1309 CA THR A 89 -12.190 7.199 10.869 1.00 0.00 C ATOM 1310 C THR A 89 -11.033 6.272 10.490 1.00 0.00 C ATOM 1311 O THR A 89 -10.651 5.400 11.268 1.00 0.00 O ATOM 1312 CB THR A 89 -13.225 6.537 11.780 1.00 0.00 C ATOM 1313 OG1 THR A 89 -13.363 5.222 11.251 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.619 7.149 11.625 1.00 0.00 C ATOM 0 H THR A 89 -13.516 6.993 9.260 1.00 0.00 H new ATOM 0 HA THR A 89 -11.737 8.026 11.415 1.00 0.00 H new ATOM 0 HB THR A 89 -12.903 6.625 12.818 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.114 4.770 11.689 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.315 6.643 12.294 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.581 8.209 11.876 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.955 7.032 10.595 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.508 6.493 9.294 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.402 5.689 8.802 1.00 0.00 C ATOM 1324 C ALA A 90 -8.464 6.570 7.974 1.00 0.00 C ATOM 1325 O ALA A 90 -8.887 7.585 7.422 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.949 4.506 8.000 1.00 0.00 C ATOM 0 H ALA A 90 -10.828 7.217 8.651 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.824 5.282 9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.120 3.902 7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.585 3.895 8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.532 4.877 7.157 1.00 0.00 H new ATOM 1332 N THR A 91 -7.209 6.150 7.914 1.00 0.00 N ATOM 1333 CA THR A 91 -6.208 6.889 7.164 1.00 0.00 C ATOM 1334 C THR A 91 -5.226 5.926 6.494 1.00 0.00 C ATOM 1335 O THR A 91 -5.049 4.797 6.950 1.00 0.00 O ATOM 1336 CB THR A 91 -5.535 7.877 8.119 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.604 8.701 8.576 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.601 8.848 7.394 1.00 0.00 C ATOM 0 H THR A 91 -6.863 5.307 8.373 1.00 0.00 H new ATOM 0 HA THR A 91 -6.662 7.458 6.352 1.00 0.00 H new ATOM 0 HB THR A 91 -4.973 7.327 8.873 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.257 9.370 9.202 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.149 9.527 8.117 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.817 8.287 6.884 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.170 9.423 6.663 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.612 6.407 5.423 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.652 5.603 4.686 1.00 0.00 C ATOM 1348 C LEU A 92 -2.262 6.228 4.818 1.00 0.00 C ATOM 1349 O LEU A 92 -2.136 7.440 4.986 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.108 5.418 3.237 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.018 5.037 2.234 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.403 3.679 2.581 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -3.553 5.074 0.802 1.00 0.00 C ATOM 0 H LEU A 92 -4.761 7.344 5.048 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.592 4.600 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.879 4.648 3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.574 6.345 2.902 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.221 5.778 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.631 3.432 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.961 3.723 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.178 2.913 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.758 4.799 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.379 4.370 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.904 6.080 0.571 1.00 0.00 H new ATOM 1365 N THR A 93 -1.253 5.372 4.737 1.00 0.00 N ATOM 1366 CA THR A 93 0.123 5.826 4.845 1.00 0.00 C ATOM 1367 C THR A 93 1.030 4.998 3.933 1.00 0.00 C ATOM 1368 O THR A 93 1.282 3.825 4.201 1.00 0.00 O ATOM 1369 CB THR A 93 0.526 5.765 6.320 1.00 0.00 C ATOM 1370 OG1 THR A 93 -0.115 6.897 6.902 1.00 0.00 O ATOM 1371 CG2 THR A 93 2.018 6.033 6.530 1.00 0.00 C ATOM 0 H THR A 93 -1.361 4.367 4.598 1.00 0.00 H new ATOM 0 HA THR A 93 0.228 6.857 4.507 1.00 0.00 H new ATOM 0 HB THR A 93 0.272 4.786 6.726 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.559 7.483 7.305 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.251 5.978 7.593 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.601 5.286 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.266 7.026 6.155 1.00 0.00 H new ATOM 1379 N LEU A 94 1.496 5.642 2.873 1.00 0.00 N ATOM 1380 CA LEU A 94 2.369 4.981 1.919 1.00 0.00 C ATOM 1381 C LEU A 94 3.783 4.899 2.499 1.00 0.00 C ATOM 1382 O LEU A 94 4.221 5.807 3.204 1.00 0.00 O ATOM 1383 CB LEU A 94 2.303 5.677 0.558 1.00 0.00 C ATOM 1384 CG LEU A 94 0.949 5.633 -0.152 1.00 0.00 C ATOM 1385 CD1 LEU A 94 0.883 6.673 -1.272 1.00 0.00 C ATOM 1386 CD2 LEU A 94 0.642 4.223 -0.661 1.00 0.00 C ATOM 0 H LEU A 94 1.285 6.616 2.654 1.00 0.00 H new ATOM 0 HA LEU A 94 2.035 3.958 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.587 6.721 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.049 5.225 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 94 0.176 5.890 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.090 6.620 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.025 7.669 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.667 6.472 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.326 4.220 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.415 3.914 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.618 3.530 0.180 1.00 0.00 H new ATOM 1398 N THR A 95 4.456 3.803 2.182 1.00 0.00 N ATOM 1399 CA THR A 95 5.811 3.592 2.664 1.00 0.00 C ATOM 1400 C THR A 95 6.641 2.851 1.613 1.00 0.00 C ATOM 1401 O THR A 95 6.265 1.766 1.172 1.00 0.00 O ATOM 1402 CB THR A 95 5.727 2.855 4.002 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.332 2.814 4.289 1.00 0.00 O ATOM 1404 CG2 THR A 95 6.321 3.665 5.155 1.00 0.00 C ATOM 0 H THR A 95 4.089 3.052 1.598 1.00 0.00 H new ATOM 0 HA THR A 95 6.324 4.539 2.830 1.00 0.00 H new ATOM 0 HB THR A 95 6.247 1.900 3.923 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.080 3.609 4.804 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.236 3.096 6.081 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.372 3.871 4.951 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.779 4.606 5.256 1.00 0.00 H new ATOM 1412 N LEU A 96 7.753 3.468 1.243 1.00 0.00 N ATOM 1413 CA LEU A 96 8.640 2.881 0.252 1.00 0.00 C ATOM 1414 C LEU A 96 9.853 2.271 0.957 1.00 0.00 C ATOM 1415 O LEU A 96 10.782 2.985 1.331 1.00 0.00 O ATOM 1416 CB LEU A 96 9.004 3.912 -0.818 1.00 0.00 C ATOM 1417 CG LEU A 96 8.731 3.500 -2.267 1.00 0.00 C ATOM 1418 CD1 LEU A 96 8.663 4.725 -3.181 1.00 0.00 C ATOM 1419 CD2 LEU A 96 9.764 2.480 -2.750 1.00 0.00 C ATOM 0 H LEU A 96 8.061 4.368 1.611 1.00 0.00 H new ATOM 0 HA LEU A 96 8.138 2.071 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.453 4.830 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.064 4.148 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 96 7.756 3.014 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.468 4.405 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.861 5.383 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.612 5.261 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.548 2.204 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.761 2.917 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.720 1.592 -2.120 1.00 0.00 H new ATOM 1431 N ARG A 97 9.805 0.957 1.117 1.00 0.00 N ATOM 1432 CA ARG A 97 10.889 0.243 1.771 1.00 0.00 C ATOM 1433 C ARG A 97 11.736 -0.500 0.735 1.00 0.00 C ATOM 1434 O ARG A 97 11.270 -0.777 -0.369 1.00 0.00 O ATOM 1435 CB ARG A 97 10.350 -0.760 2.793 1.00 0.00 C ATOM 1436 CG ARG A 97 9.777 -0.041 4.016 1.00 0.00 C ATOM 1437 CD ARG A 97 8.515 -0.744 4.523 1.00 0.00 C ATOM 1438 NE ARG A 97 8.672 -1.098 5.951 1.00 0.00 N ATOM 1439 CZ ARG A 97 7.651 -1.383 6.771 1.00 0.00 C ATOM 1440 NH1 ARG A 97 6.394 -1.356 6.309 1.00 0.00 N ATOM 1441 NH2 ARG A 97 7.888 -1.694 8.053 1.00 0.00 N ATOM 0 H ARG A 97 9.033 0.368 0.805 1.00 0.00 H new ATOM 0 HA ARG A 97 11.505 0.978 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.576 -1.374 2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.149 -1.433 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.525 -0.011 4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.544 0.992 3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.650 -0.094 4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.329 -1.643 3.935 1.00 0.00 H new ATOM 0 HE ARG A 97 9.616 -1.127 6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.214 -1.119 5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.617 -1.573 6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.845 -1.714 8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.111 -1.911 8.677 1.00 0.00 H new ATOM 1455 N THR A 98 12.964 -0.802 1.129 1.00 0.00 N ATOM 1456 CA THR A 98 13.880 -1.508 0.249 1.00 0.00 C ATOM 1457 C THR A 98 14.060 -2.954 0.714 1.00 0.00 C ATOM 1458 O THR A 98 14.193 -3.213 1.910 1.00 0.00 O ATOM 1459 CB THR A 98 15.190 -0.718 0.198 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.381 -0.278 1.540 1.00 0.00 O ATOM 1461 CG2 THR A 98 15.062 0.578 -0.605 1.00 0.00 C ATOM 0 H THR A 98 13.346 -0.571 2.046 1.00 0.00 H new ATOM 0 HA THR A 98 13.483 -1.573 -0.764 1.00 0.00 H new ATOM 0 HB THR A 98 15.972 -1.339 -0.239 1.00 0.00 H new ATOM 0 HG1 THR A 98 16.210 0.242 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 98 16.019 1.099 -0.609 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.771 0.344 -1.629 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.304 1.215 -0.149 1.00 0.00 H new ATOM 1469 N CYS A 99 14.058 -3.858 -0.254 1.00 0.00 N ATOM 1470 CA CYS A 99 14.219 -5.272 0.042 1.00 0.00 C ATOM 1471 C CYS A 99 15.370 -5.426 1.039 1.00 0.00 C ATOM 1472 O CYS A 99 16.509 -5.072 0.737 1.00 0.00 O ATOM 1473 CB CYS A 99 14.450 -6.093 -1.228 1.00 0.00 C ATOM 1474 SG CYS A 99 14.970 -7.792 -0.789 1.00 0.00 S ATOM 0 H CYS A 99 13.947 -3.639 -1.244 1.00 0.00 H new ATOM 0 HA CYS A 99 13.302 -5.660 0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.536 -6.125 -1.821 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.213 -5.618 -1.844 1.00 0.00 H new ATOM 0 HG CYS A 99 15.162 -8.481 -1.874 1.00 0.00 H new ATOM 1599 N VAL A 107 12.936 3.605 6.251 1.00 0.00 N ATOM 1600 CA VAL A 107 11.983 3.739 5.162 1.00 0.00 C ATOM 1601 C VAL A 107 12.567 4.661 4.090 1.00 0.00 C ATOM 1602 O VAL A 107 13.104 5.723 4.404 1.00 0.00 O ATOM 1603 CB VAL A 107 10.637 4.227 5.702 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.786 4.834 4.584 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.888 3.097 6.409 1.00 0.00 C ATOM 0 HA VAL A 107 11.799 2.772 4.694 1.00 0.00 H new ATOM 0 HB VAL A 107 10.833 5.009 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.835 5.173 4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.314 5.680 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.603 4.082 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.935 3.471 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.708 2.284 5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.486 2.730 7.243 1.00 0.00 H new ATOM 1615 N ALA A 108 12.444 4.223 2.846 1.00 0.00 N ATOM 1616 CA ALA A 108 12.953 4.995 1.726 1.00 0.00 C ATOM 1617 C ALA A 108 12.123 6.272 1.574 1.00 0.00 C ATOM 1618 O ALA A 108 12.658 7.328 1.240 1.00 0.00 O ATOM 1619 CB ALA A 108 12.935 4.134 0.461 1.00 0.00 C ATOM 0 H ALA A 108 11.999 3.342 2.589 1.00 0.00 H new ATOM 0 HA ALA A 108 13.987 5.292 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.317 4.714 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.562 3.255 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.913 3.819 0.250 1.00 0.00 H new ATOM 1625 N GLY A 109 10.830 6.133 1.826 1.00 0.00 N ATOM 1626 CA GLY A 109 9.921 7.262 1.721 1.00 0.00 C ATOM 1627 C GLY A 109 8.520 6.885 2.205 1.00 0.00 C ATOM 1628 O GLY A 109 7.923 5.931 1.708 1.00 0.00 O ATOM 0 H GLY A 109 10.390 5.255 2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.301 8.096 2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.873 7.600 0.686 1.00 0.00 H new ATOM 1632 N GLU A 110 8.035 7.653 3.169 1.00 0.00 N ATOM 1633 CA GLU A 110 6.715 7.411 3.726 1.00 0.00 C ATOM 1634 C GLU A 110 5.784 8.586 3.415 1.00 0.00 C ATOM 1635 O GLU A 110 6.119 9.737 3.691 1.00 0.00 O ATOM 1636 CB GLU A 110 6.793 7.158 5.233 1.00 0.00 C ATOM 1637 CG GLU A 110 5.479 7.532 5.921 1.00 0.00 C ATOM 1638 CD GLU A 110 5.540 7.232 7.420 1.00 0.00 C ATOM 1639 OE1 GLU A 110 5.446 6.033 7.763 1.00 0.00 O ATOM 1640 OE2 GLU A 110 5.678 8.207 8.189 1.00 0.00 O ATOM 0 H GLU A 110 8.532 8.444 3.579 1.00 0.00 H new ATOM 0 HA GLU A 110 6.305 6.514 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.018 6.108 5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.610 7.739 5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.272 8.591 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.657 6.977 5.469 1.00 0.00 H new ATOM 1647 N LEU A 111 4.635 8.255 2.845 1.00 0.00 N ATOM 1648 CA LEU A 111 3.654 9.268 2.494 1.00 0.00 C ATOM 1649 C LEU A 111 2.416 9.101 3.378 1.00 0.00 C ATOM 1650 O LEU A 111 2.115 7.996 3.828 1.00 0.00 O ATOM 1651 CB LEU A 111 3.351 9.223 0.995 1.00 0.00 C ATOM 1652 CG LEU A 111 3.620 10.512 0.218 1.00 0.00 C ATOM 1653 CD1 LEU A 111 4.101 10.206 -1.202 1.00 0.00 C ATOM 1654 CD2 LEU A 111 2.390 11.423 0.223 1.00 0.00 C ATOM 0 H LEU A 111 4.361 7.299 2.617 1.00 0.00 H new ATOM 0 HA LEU A 111 4.050 10.265 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.942 8.423 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.302 8.955 0.864 1.00 0.00 H new ATOM 0 HG LEU A 111 4.422 11.052 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.285 11.140 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.023 9.626 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.338 9.633 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.609 12.333 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.551 10.904 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.133 11.682 1.250 1.00 0.00 H new ATOM 1666 N ARG A 112 1.732 10.213 3.599 1.00 0.00 N ATOM 1667 CA ARG A 112 0.534 10.204 4.421 1.00 0.00 C ATOM 1668 C ARG A 112 -0.676 10.652 3.599 1.00 0.00 C ATOM 1669 O ARG A 112 -0.653 11.716 2.982 1.00 0.00 O ATOM 1670 CB ARG A 112 0.689 11.126 5.632 1.00 0.00 C ATOM 1671 CG ARG A 112 -0.656 11.353 6.324 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.149 10.070 6.997 1.00 0.00 C ATOM 1673 NE ARG A 112 -1.887 10.400 8.237 1.00 0.00 N ATOM 1674 CZ ARG A 112 -1.966 9.590 9.302 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -1.354 8.398 9.284 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -2.658 9.973 10.384 1.00 0.00 N ATOM 0 H ARG A 112 1.984 11.127 3.223 1.00 0.00 H new ATOM 0 HA ARG A 112 0.381 9.184 4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.396 10.690 6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.105 12.082 5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.558 12.144 7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.392 11.691 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.796 9.517 6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.303 9.423 7.229 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.365 11.300 8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.828 8.107 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.414 7.782 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.124 10.880 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.719 9.357 11.195 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.706 9.818 3.617 1.00 0.00 N ATOM 1691 CA LEU A 113 -2.923 10.115 2.882 1.00 0.00 C ATOM 1692 C LEU A 113 -4.128 9.943 3.808 1.00 0.00 C ATOM 1693 O LEU A 113 -3.986 9.481 4.939 1.00 0.00 O ATOM 1694 CB LEU A 113 -3.000 9.268 1.609 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.791 9.350 0.675 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.891 8.311 -0.444 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.617 10.768 0.127 1.00 0.00 C ATOM 0 H LEU A 113 -1.722 8.936 4.130 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.923 11.153 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.141 8.226 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.887 9.567 1.050 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.897 9.116 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.019 8.391 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.930 7.312 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.795 8.489 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.751 10.799 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.509 11.055 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.467 11.462 0.954 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.288 10.326 3.294 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.518 10.220 4.062 1.00 0.00 C ATOM 1711 C GLY A 114 -7.631 9.583 3.228 1.00 0.00 C ATOM 1712 O GLY A 114 -7.733 9.832 2.028 1.00 0.00 O ATOM 0 H GLY A 114 -5.402 10.710 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.342 9.623 4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.829 11.210 4.395 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.438 8.773 3.898 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.541 8.099 3.234 1.00 0.00 C ATOM 1718 C LEU A 115 -10.855 8.787 3.609 1.00 0.00 C ATOM 1719 O LEU A 115 -11.919 8.173 3.554 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.519 6.601 3.547 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.135 5.964 3.683 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -8.247 4.477 4.023 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -7.296 6.203 2.426 1.00 0.00 C ATOM 0 H LEU A 115 -8.350 8.568 4.893 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.439 8.177 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.066 6.436 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.062 6.078 2.760 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.617 6.446 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.249 4.048 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.780 4.359 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.792 3.963 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.317 5.740 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.799 5.765 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.173 7.275 2.269 1.00 0.00 H new ATOM 1735 N ASP A 116 -10.737 10.053 3.981 1.00 0.00 N ATOM 1736 CA ASP A 116 -11.902 10.831 4.365 1.00 0.00 C ATOM 1737 C ASP A 116 -12.331 11.713 3.191 1.00 0.00 C ATOM 1738 O ASP A 116 -13.344 12.407 3.268 1.00 0.00 O ATOM 1739 CB ASP A 116 -11.588 11.744 5.552 1.00 0.00 C ATOM 1740 CG ASP A 116 -10.111 11.808 5.945 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -9.591 10.755 6.371 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -9.535 12.910 5.811 1.00 0.00 O ATOM 0 H ASP A 116 -9.853 10.559 4.025 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.694 10.136 4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.930 12.752 5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.163 11.406 6.414 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.539 11.658 2.130 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.823 12.443 0.941 1.00 0.00 C ATOM 1749 C GLY A 117 -11.461 13.914 1.156 1.00 0.00 C ATOM 1750 O GLY A 117 -12.105 14.803 0.600 1.00 0.00 O ATOM 0 H GLY A 117 -10.700 11.081 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.261 12.046 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.880 12.358 0.689 1.00 0.00 H new ATOM 1754 N THR A 118 -10.432 14.125 1.963 1.00 0.00 N ATOM 1755 CA THR A 118 -9.977 15.473 2.258 1.00 0.00 C ATOM 1756 C THR A 118 -8.605 15.722 1.628 1.00 0.00 C ATOM 1757 O THR A 118 -8.512 16.274 0.533 1.00 0.00 O ATOM 1758 CB THR A 118 -9.989 15.655 3.777 1.00 0.00 C ATOM 1759 OG1 THR A 118 -11.361 15.886 4.088 1.00 0.00 O ATOM 1760 CG2 THR A 118 -9.286 16.939 4.219 1.00 0.00 C ATOM 0 H THR A 118 -9.900 13.385 2.422 1.00 0.00 H new ATOM 0 HA THR A 118 -10.641 16.219 1.822 1.00 0.00 H new ATOM 0 HB THR A 118 -9.509 14.798 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.460 16.013 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.323 17.019 5.305 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.246 16.915 3.893 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.786 17.799 3.775 1.00 0.00 H new ATOM 1768 N SER A 119 -7.574 15.303 2.347 1.00 0.00 N ATOM 1769 CA SER A 119 -6.212 15.474 1.872 1.00 0.00 C ATOM 1770 C SER A 119 -6.149 15.230 0.363 1.00 0.00 C ATOM 1771 O SER A 119 -5.744 16.109 -0.396 1.00 0.00 O ATOM 1772 CB SER A 119 -5.251 14.534 2.603 1.00 0.00 C ATOM 1773 OG SER A 119 -4.848 15.057 3.865 1.00 0.00 O ATOM 0 H SER A 119 -7.655 14.845 3.255 1.00 0.00 H new ATOM 0 HA SER A 119 -5.904 16.498 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.731 13.566 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.370 14.363 1.984 1.00 0.00 H new ATOM 0 HG SER A 119 -4.237 14.427 4.300 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.556 14.030 -0.027 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.551 13.659 -1.432 1.00 0.00 C ATOM 1781 C VAL A 120 -7.886 13.001 -1.786 1.00 0.00 C ATOM 1782 O VAL A 120 -8.399 12.181 -1.025 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.346 12.765 -1.733 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -4.101 13.604 -2.025 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.090 11.785 -0.586 1.00 0.00 C ATOM 0 H VAL A 120 -6.891 13.303 0.605 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.448 14.544 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.575 12.183 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.259 12.945 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.287 14.242 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -3.869 14.224 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.229 11.162 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.892 12.341 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -5.967 11.153 -0.445 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.425 13.395 -2.970 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.691 12.853 -3.434 1.00 0.00 C ATOM 1797 C PRO A 121 -9.519 11.423 -3.949 1.00 0.00 C ATOM 1798 O PRO A 121 -8.397 10.933 -4.068 1.00 0.00 O ATOM 1799 CB PRO A 121 -10.162 13.819 -4.509 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.931 14.603 -4.933 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.846 14.364 -3.896 1.00 0.00 C ATOM 0 HA PRO A 121 -10.431 12.772 -2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.594 13.283 -5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.935 14.484 -4.125 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.594 14.281 -5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.162 15.666 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.937 13.977 -4.356 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.576 15.288 -3.385 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.648 10.793 -4.239 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.636 9.428 -4.738 1.00 0.00 C ATOM 1811 C LEU A 122 -10.717 9.448 -6.266 1.00 0.00 C ATOM 1812 O LEU A 122 -11.200 10.414 -6.854 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.743 8.606 -4.075 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.518 8.240 -2.606 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -12.810 7.729 -1.965 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.371 7.238 -2.460 1.00 0.00 C ATOM 0 H LEU A 122 -11.577 11.202 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.701 8.934 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.677 9.163 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.874 7.685 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.227 9.143 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.623 7.476 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.574 8.504 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.154 6.842 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.232 6.995 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.609 6.330 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.454 7.675 -2.856 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.236 8.369 -6.866 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.247 8.250 -8.314 1.00 0.00 C ATOM 1830 C GLY A 123 -9.561 9.451 -8.968 1.00 0.00 C ATOM 1831 O GLY A 123 -9.848 9.785 -10.116 1.00 0.00 O ATOM 0 H GLY A 123 -9.836 7.569 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.741 7.331 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.275 8.176 -8.669 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.666 10.067 -8.209 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.937 11.223 -8.700 1.00 0.00 C ATOM 1837 C ALA A 124 -6.435 10.974 -8.553 1.00 0.00 C ATOM 1838 O ALA A 124 -5.882 11.114 -7.463 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.396 12.474 -7.948 1.00 0.00 C ATOM 0 H ALA A 124 -8.430 9.787 -7.257 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.143 11.384 -9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.849 13.341 -8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.464 12.624 -8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.203 12.349 -6.882 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.816 10.608 -9.667 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.389 10.338 -9.676 1.00 0.00 C ATOM 1847 C ALA A 125 -3.630 11.611 -9.296 1.00 0.00 C ATOM 1848 O ALA A 125 -3.760 12.637 -9.963 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.979 9.802 -11.049 1.00 0.00 C ATOM 0 H ALA A 125 -6.278 10.492 -10.569 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.139 9.574 -8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.908 9.599 -11.056 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.524 8.881 -11.258 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.213 10.543 -11.813 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.855 11.504 -8.227 1.00 0.00 N ATOM 1856 CA GLN A 126 -2.076 12.635 -7.751 1.00 0.00 C ATOM 1857 C GLN A 126 -0.677 12.177 -7.333 1.00 0.00 C ATOM 1858 O GLN A 126 -0.493 11.034 -6.918 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.788 13.345 -6.598 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.302 12.338 -5.568 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.615 12.814 -4.943 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -4.756 13.950 -4.521 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.566 11.884 -4.908 1.00 0.00 N ATOM 0 H GLN A 126 -2.750 10.652 -7.677 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.974 13.351 -8.567 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.103 14.044 -6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.621 13.931 -6.986 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.452 11.369 -6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -2.554 12.197 -4.788 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -5.382 10.952 -5.279 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -6.479 12.103 -4.510 1.00 0.00 H new ATOM 1872 N TRP A 127 0.272 13.092 -7.457 1.00 0.00 N ATOM 1873 CA TRP A 127 1.648 12.797 -7.096 1.00 0.00 C ATOM 1874 C TRP A 127 1.906 13.372 -5.702 1.00 0.00 C ATOM 1875 O TRP A 127 1.499 14.494 -5.404 1.00 0.00 O ATOM 1876 CB TRP A 127 2.618 13.332 -8.152 1.00 0.00 C ATOM 1877 CG TRP A 127 2.762 12.429 -9.379 1.00 0.00 C ATOM 1878 CD1 TRP A 127 1.980 12.384 -10.466 1.00 0.00 C ATOM 1879 CD2 TRP A 127 3.786 11.437 -9.601 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.423 11.440 -11.370 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.557 10.845 -10.827 1.00 0.00 C ATOM 1882 CE3 TRP A 127 4.871 11.052 -8.794 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.369 9.834 -11.354 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.673 10.040 -9.335 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.455 9.435 -10.567 1.00 0.00 C ATOM 0 H TRP A 127 0.115 14.039 -7.803 1.00 0.00 H new ATOM 0 HA TRP A 127 1.816 11.720 -7.064 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.280 14.316 -8.476 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.599 13.466 -7.695 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.112 13.008 -10.616 1.00 0.00 H new ATOM 0 HE1 TRP A 127 1.997 11.219 -12.270 1.00 0.00 H new ATOM 0 HE3 TRP A 127 5.070 11.502 -7.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.168 9.386 -12.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.520 9.706 -8.754 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.121 8.660 -10.916 1.00 0.00 H new ATOM 1896 N GLY A 128 2.580 12.577 -4.884 1.00 0.00 N ATOM 1897 CA GLY A 128 2.897 12.992 -3.529 1.00 0.00 C ATOM 1898 C GLY A 128 4.363 12.706 -3.195 1.00 0.00 C ATOM 1899 O GLY A 128 4.890 11.654 -3.555 1.00 0.00 O ATOM 0 H GLY A 128 2.915 11.647 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.696 14.057 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.251 12.468 -2.824 1.00 0.00 H new ATOM 1903 N GLU A 129 4.978 13.659 -2.512 1.00 0.00 N ATOM 1904 CA GLU A 129 6.373 13.522 -2.127 1.00 0.00 C ATOM 1905 C GLU A 129 6.487 12.734 -0.820 1.00 0.00 C ATOM 1906 O GLU A 129 5.720 12.960 0.115 1.00 0.00 O ATOM 1907 CB GLU A 129 7.044 14.891 -2.001 1.00 0.00 C ATOM 1908 CG GLU A 129 7.974 15.157 -3.187 1.00 0.00 C ATOM 1909 CD GLU A 129 7.381 16.212 -4.123 1.00 0.00 C ATOM 1910 OE1 GLU A 129 7.074 17.312 -3.616 1.00 0.00 O ATOM 1911 OE2 GLU A 129 7.248 15.894 -5.325 1.00 0.00 O ATOM 0 H GLU A 129 4.537 14.529 -2.215 1.00 0.00 H new ATOM 0 HA GLU A 129 6.893 12.969 -2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.283 15.670 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.612 14.938 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.945 15.493 -2.824 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.142 14.231 -3.737 1.00 0.00 H new ATOM 1918 N LEU A 130 7.450 11.824 -0.798 1.00 0.00 N ATOM 1919 CA LEU A 130 7.674 11.001 0.379 1.00 0.00 C ATOM 1920 C LEU A 130 8.275 11.863 1.492 1.00 0.00 C ATOM 1921 O LEU A 130 9.250 12.579 1.269 1.00 0.00 O ATOM 1922 CB LEU A 130 8.522 9.778 0.023 1.00 0.00 C ATOM 1923 CG LEU A 130 7.882 8.776 -0.941 1.00 0.00 C ATOM 1924 CD1 LEU A 130 8.924 7.797 -1.485 1.00 0.00 C ATOM 1925 CD2 LEU A 130 6.707 8.053 -0.280 1.00 0.00 C ATOM 0 H LEU A 130 8.084 11.638 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 130 6.729 10.608 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.459 10.125 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.774 9.255 0.945 1.00 0.00 H new ATOM 0 HG LEU A 130 7.483 9.328 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.443 7.096 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.698 8.349 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.374 7.248 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.270 7.347 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.059 7.515 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 130 5.953 8.781 0.018 1.00 0.00 H new ATOM 1937 N LYS A 131 7.667 11.764 2.665 1.00 0.00 N ATOM 1938 CA LYS A 131 8.130 12.525 3.813 1.00 0.00 C ATOM 1939 C LYS A 131 9.111 11.675 4.622 1.00 0.00 C ATOM 1940 O LYS A 131 9.485 12.042 5.735 1.00 0.00 O ATOM 1941 CB LYS A 131 6.942 13.038 4.630 1.00 0.00 C ATOM 1942 CG LYS A 131 6.061 13.968 3.792 1.00 0.00 C ATOM 1943 CD LYS A 131 6.724 15.335 3.610 1.00 0.00 C ATOM 1944 CE LYS A 131 6.548 15.843 2.178 1.00 0.00 C ATOM 1945 NZ LYS A 131 6.360 17.311 2.169 1.00 0.00 N ATOM 0 H LYS A 131 6.858 11.169 2.845 1.00 0.00 H new ATOM 0 HA LYS A 131 8.671 13.413 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.351 12.195 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.304 13.569 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.875 13.518 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 131 5.092 14.091 4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 131 6.290 16.050 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.786 15.263 3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.421 15.579 1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 131 5.688 15.357 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 6.242 17.640 1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.513 17.556 2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 7.193 17.770 2.590 1.00 0.00 H new