USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 490 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 59 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 141:sc= 0.503 USER MOD Set 2.1: A 39 HIS : no HE2:sc= -5.44! C(o=-6.7!,f=-8.9!) USER MOD Set 2.2: A 43 ASN : amide:sc= -1.23 K(o=-6.7,f=-8.9) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= -0.0352 (180deg=-0.226) USER MOD Single : A 13 TYR OH : rot 30:sc= 0.503 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 23 THR OG1 : rot -76:sc= 1.22 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 81:sc= -0.359 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= -0.0134 (180deg=-0.167) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 75:sc= 1.17 USER MOD Single : A 67 LYS NZ :NH3+ -129:sc= -0.0785 (180deg=-0.165) USER MOD Single : A 71 TYR OH : rot -152:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 147 N LYS A 11 1.279 -6.318 -0.064 1.00 0.00 N ATOM 148 CA LYS A 11 1.819 -5.014 0.307 1.00 0.00 C ATOM 149 C LYS A 11 1.080 -4.413 1.477 1.00 0.00 C ATOM 150 O LYS A 11 1.693 -3.931 2.404 1.00 0.00 O ATOM 151 CB LYS A 11 1.792 -4.035 -0.862 1.00 0.00 C ATOM 152 CG LYS A 11 2.785 -4.355 -1.955 1.00 0.00 C ATOM 153 CD LYS A 11 2.736 -3.317 -3.063 1.00 0.00 C ATOM 154 CE LYS A 11 3.770 -3.602 -4.143 1.00 0.00 C ATOM 155 NZ LYS A 11 5.156 -3.521 -3.619 1.00 0.00 N ATOM 0 HA LYS A 11 2.855 -5.187 0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.789 -4.022 -1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.991 -3.031 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.790 -4.396 -1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.571 -5.341 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.740 -3.304 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.911 -2.327 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.597 -4.595 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.648 -2.889 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.826 -3.484 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.259 -2.663 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.356 -4.359 -3.036 1.00 0.00 H new ATOM 169 N PHE A 12 -0.228 -4.498 1.464 1.00 0.00 N ATOM 170 CA PHE A 12 -1.007 -3.906 2.529 1.00 0.00 C ATOM 171 C PHE A 12 -0.897 -4.691 3.824 1.00 0.00 C ATOM 172 O PHE A 12 -0.910 -4.104 4.909 1.00 0.00 O ATOM 173 CB PHE A 12 -2.455 -3.657 2.124 1.00 0.00 C ATOM 174 CG PHE A 12 -2.617 -2.425 1.268 1.00 0.00 C ATOM 175 CD1 PHE A 12 -2.166 -1.196 1.723 1.00 0.00 C ATOM 176 CD2 PHE A 12 -3.235 -2.485 0.035 1.00 0.00 C ATOM 177 CE1 PHE A 12 -2.328 -0.056 0.971 1.00 0.00 C ATOM 178 CE2 PHE A 12 -3.397 -1.343 -0.730 1.00 0.00 C ATOM 179 CZ PHE A 12 -2.943 -0.127 -0.256 1.00 0.00 C ATOM 0 H PHE A 12 -0.772 -4.965 0.738 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.571 -2.925 2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.830 -4.524 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.066 -3.554 3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.679 -1.132 2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.596 -3.433 -0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.973 0.893 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.877 -1.402 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.071 0.766 -0.849 1.00 0.00 H new ATOM 189 N TYR A 13 -0.769 -6.016 3.719 1.00 0.00 N ATOM 190 CA TYR A 13 -0.600 -6.823 4.912 1.00 0.00 C ATOM 191 C TYR A 13 0.758 -6.504 5.536 1.00 0.00 C ATOM 192 O TYR A 13 0.862 -6.273 6.730 1.00 0.00 O ATOM 193 CB TYR A 13 -0.691 -8.327 4.606 1.00 0.00 C ATOM 194 CG TYR A 13 -2.043 -8.816 4.098 1.00 0.00 C ATOM 195 CD1 TYR A 13 -2.187 -9.276 2.800 1.00 0.00 C ATOM 196 CD2 TYR A 13 -3.160 -8.837 4.923 1.00 0.00 C ATOM 197 CE1 TYR A 13 -3.397 -9.745 2.333 1.00 0.00 C ATOM 198 CE2 TYR A 13 -4.381 -9.303 4.463 1.00 0.00 C ATOM 199 CZ TYR A 13 -4.491 -9.758 3.165 1.00 0.00 C ATOM 200 OH TYR A 13 -5.697 -10.234 2.700 1.00 0.00 O ATOM 0 H TYR A 13 -0.780 -6.535 2.841 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.406 -6.582 5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.067 -8.575 3.863 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.442 -8.879 5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.333 -9.267 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.075 -8.484 5.940 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.485 -10.101 1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.241 -9.310 5.116 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.537 -10.920 2.019 1.00 0.00 H new ATOM 210 N ASP A 14 1.792 -6.469 4.694 1.00 0.00 N ATOM 211 CA ASP A 14 3.152 -6.115 5.129 1.00 0.00 C ATOM 212 C ASP A 14 3.259 -4.706 5.670 1.00 0.00 C ATOM 213 O ASP A 14 3.977 -4.466 6.644 1.00 0.00 O ATOM 214 CB ASP A 14 4.162 -6.313 4.015 1.00 0.00 C ATOM 215 CG ASP A 14 4.599 -7.755 3.872 1.00 0.00 C ATOM 216 OD1 ASP A 14 5.108 -8.325 4.868 1.00 0.00 O ATOM 217 OD2 ASP A 14 4.458 -8.325 2.771 1.00 0.00 O ATOM 0 H ASP A 14 1.716 -6.682 3.699 1.00 0.00 H new ATOM 0 HA ASP A 14 3.381 -6.797 5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.730 -5.974 3.074 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.036 -5.690 4.207 1.00 0.00 H new ATOM 222 N ILE A 15 2.573 -3.776 5.040 1.00 0.00 N ATOM 223 CA ILE A 15 2.583 -2.397 5.498 1.00 0.00 C ATOM 224 C ILE A 15 2.048 -2.293 6.926 1.00 0.00 C ATOM 225 O ILE A 15 2.680 -1.680 7.789 1.00 0.00 O ATOM 226 CB ILE A 15 1.784 -1.484 4.541 1.00 0.00 C ATOM 227 CG1 ILE A 15 2.538 -1.292 3.220 1.00 0.00 C ATOM 228 CG2 ILE A 15 1.449 -0.142 5.182 1.00 0.00 C ATOM 229 CD1 ILE A 15 1.719 -0.609 2.144 1.00 0.00 C ATOM 0 H ILE A 15 2.002 -3.946 4.212 1.00 0.00 H new ATOM 0 HA ILE A 15 3.617 -2.054 5.498 1.00 0.00 H new ATOM 0 HB ILE A 15 0.838 -1.981 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.437 -0.705 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.864 -2.265 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.887 0.469 4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.849 -0.306 6.077 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.371 0.372 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.319 -0.508 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.833 -1.206 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.415 0.379 2.490 1.00 0.00 H new ATOM 241 N LEU A 16 0.902 -2.907 7.181 1.00 0.00 N ATOM 242 CA LEU A 16 0.363 -2.951 8.535 1.00 0.00 C ATOM 243 C LEU A 16 1.194 -3.860 9.454 1.00 0.00 C ATOM 244 O LEU A 16 1.256 -3.646 10.665 1.00 0.00 O ATOM 245 CB LEU A 16 -1.111 -3.375 8.547 1.00 0.00 C ATOM 246 CG LEU A 16 -2.114 -2.368 7.973 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.515 -2.947 8.014 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.061 -1.057 8.748 1.00 0.00 C ATOM 0 H LEU A 16 0.332 -3.377 6.478 1.00 0.00 H new ATOM 0 HA LEU A 16 0.424 -1.935 8.926 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.203 -4.306 7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.396 -3.592 9.577 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.847 -2.165 6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.220 -2.224 7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.548 -3.862 7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.785 -3.172 9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.780 -0.355 8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.306 -1.242 9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.059 -0.634 8.680 1.00 0.00 H new ATOM 260 N GLY A 17 1.845 -4.855 8.873 1.00 0.00 N ATOM 261 CA GLY A 17 2.635 -5.783 9.660 1.00 0.00 C ATOM 262 C GLY A 17 1.840 -7.005 10.046 1.00 0.00 C ATOM 263 O GLY A 17 2.251 -7.789 10.900 1.00 0.00 O ATOM 0 H GLY A 17 1.842 -5.038 7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.514 -6.086 9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.994 -5.283 10.560 1.00 0.00 H new ATOM 267 N VAL A 18 0.708 -7.153 9.413 1.00 0.00 N ATOM 268 CA VAL A 18 -0.178 -8.272 9.647 1.00 0.00 C ATOM 269 C VAL A 18 0.080 -9.376 8.623 1.00 0.00 C ATOM 270 O VAL A 18 0.642 -9.116 7.556 1.00 0.00 O ATOM 271 CB VAL A 18 -1.662 -7.840 9.580 1.00 0.00 C ATOM 272 CG1 VAL A 18 -1.979 -6.882 10.702 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.981 -7.203 8.235 1.00 0.00 C ATOM 0 H VAL A 18 0.367 -6.496 8.712 1.00 0.00 H new ATOM 0 HA VAL A 18 0.025 -8.650 10.649 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.282 -8.730 9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.026 -6.586 10.643 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.793 -7.369 11.659 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.347 -5.998 10.615 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.030 -6.908 8.212 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.353 -6.324 8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.789 -7.921 7.438 1.00 0.00 H new ATOM 283 N PRO A 19 -0.301 -10.623 8.937 1.00 0.00 N ATOM 284 CA PRO A 19 -0.145 -11.751 8.011 1.00 0.00 C ATOM 285 C PRO A 19 -1.122 -11.640 6.855 1.00 0.00 C ATOM 286 O PRO A 19 -2.018 -10.805 6.879 1.00 0.00 O ATOM 287 CB PRO A 19 -0.533 -12.956 8.874 1.00 0.00 C ATOM 288 CG PRO A 19 -1.494 -12.394 9.852 1.00 0.00 C ATOM 289 CD PRO A 19 -0.925 -11.054 10.215 1.00 0.00 C ATOM 0 HA PRO A 19 0.855 -11.806 7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.986 -13.747 8.276 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.336 -13.389 9.370 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.490 -12.298 9.419 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.588 -13.035 10.728 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.697 -10.360 10.546 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.195 -11.126 11.021 1.00 0.00 H new ATOM 297 N VAL A 20 -0.957 -12.477 5.846 1.00 0.00 N ATOM 298 CA VAL A 20 -1.902 -12.525 4.741 1.00 0.00 C ATOM 299 C VAL A 20 -3.233 -13.027 5.310 1.00 0.00 C ATOM 300 O VAL A 20 -4.315 -12.672 4.858 1.00 0.00 O ATOM 301 CB VAL A 20 -1.418 -13.503 3.636 1.00 0.00 C ATOM 302 CG1 VAL A 20 -2.400 -13.556 2.478 1.00 0.00 C ATOM 303 CG2 VAL A 20 -0.033 -13.123 3.149 1.00 0.00 C ATOM 0 H VAL A 20 -0.179 -13.132 5.768 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.001 -11.536 4.292 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.365 -14.500 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.033 -14.249 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.371 -13.894 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.502 -12.562 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.285 -13.822 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.056 -12.113 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.669 -13.160 3.982 1.00 0.00 H new ATOM 313 N THR A 21 -3.093 -13.833 6.351 1.00 0.00 N ATOM 314 CA THR A 21 -4.184 -14.453 7.075 1.00 0.00 C ATOM 315 C THR A 21 -4.720 -13.526 8.176 1.00 0.00 C ATOM 316 O THR A 21 -5.354 -13.987 9.135 1.00 0.00 O ATOM 317 CB THR A 21 -3.676 -15.745 7.733 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.291 -15.584 8.107 1.00 0.00 O ATOM 319 CG2 THR A 21 -3.831 -16.938 6.803 1.00 0.00 C ATOM 0 H THR A 21 -2.178 -14.081 6.727 1.00 0.00 H new ATOM 0 HA THR A 21 -4.988 -14.661 6.369 1.00 0.00 H new ATOM 0 HB THR A 21 -4.276 -15.936 8.623 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.968 -16.408 8.528 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.462 -17.836 7.299 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.883 -17.069 6.551 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.258 -16.766 5.892 1.00 0.00 H new ATOM 327 N ALA A 22 -4.466 -12.232 8.031 1.00 0.00 N ATOM 328 CA ALA A 22 -4.837 -11.240 9.032 1.00 0.00 C ATOM 329 C ALA A 22 -6.331 -11.191 9.319 1.00 0.00 C ATOM 330 O ALA A 22 -7.166 -11.357 8.429 1.00 0.00 O ATOM 331 CB ALA A 22 -4.361 -9.868 8.607 1.00 0.00 C ATOM 0 H ALA A 22 -3.996 -11.840 7.215 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.348 -11.546 9.957 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.644 -9.135 9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.277 -9.877 8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.819 -9.603 7.654 1.00 0.00 H new ATOM 337 N THR A 23 -6.638 -10.957 10.573 1.00 0.00 N ATOM 338 CA THR A 23 -7.996 -10.795 11.041 1.00 0.00 C ATOM 339 C THR A 23 -8.218 -9.336 11.454 1.00 0.00 C ATOM 340 O THR A 23 -7.250 -8.585 11.595 1.00 0.00 O ATOM 341 CB THR A 23 -8.281 -11.730 12.236 1.00 0.00 C ATOM 342 OG1 THR A 23 -7.319 -11.490 13.276 1.00 0.00 O ATOM 343 CG2 THR A 23 -8.217 -13.191 11.809 1.00 0.00 C ATOM 0 H THR A 23 -5.939 -10.872 11.311 1.00 0.00 H new ATOM 0 HA THR A 23 -8.680 -11.058 10.234 1.00 0.00 H new ATOM 0 HB THR A 23 -9.285 -11.521 12.606 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.462 -11.895 13.029 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.421 -13.830 12.668 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.960 -13.376 11.034 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.224 -13.413 11.419 1.00 0.00 H new ATOM 351 N ASP A 24 -9.474 -8.948 11.684 1.00 0.00 N ATOM 352 CA ASP A 24 -9.817 -7.549 12.006 1.00 0.00 C ATOM 353 C ASP A 24 -9.047 -7.045 13.211 1.00 0.00 C ATOM 354 O ASP A 24 -8.607 -5.901 13.233 1.00 0.00 O ATOM 355 CB ASP A 24 -11.306 -7.398 12.319 1.00 0.00 C ATOM 356 CG ASP A 24 -12.214 -7.679 11.154 1.00 0.00 C ATOM 357 OD1 ASP A 24 -12.427 -6.775 10.328 1.00 0.00 O ATOM 358 OD2 ASP A 24 -12.749 -8.803 11.083 1.00 0.00 O ATOM 0 H ASP A 24 -10.275 -9.578 11.655 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.553 -6.966 11.124 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.564 -8.071 13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.490 -6.383 12.672 1.00 0.00 H new ATOM 363 N VAL A 25 -8.871 -7.896 14.211 1.00 0.00 N ATOM 364 CA VAL A 25 -8.198 -7.495 15.438 1.00 0.00 C ATOM 365 C VAL A 25 -6.736 -7.148 15.160 1.00 0.00 C ATOM 366 O VAL A 25 -6.225 -6.126 15.624 1.00 0.00 O ATOM 367 CB VAL A 25 -8.277 -8.613 16.505 1.00 0.00 C ATOM 368 CG1 VAL A 25 -7.429 -8.275 17.725 1.00 0.00 C ATOM 369 CG2 VAL A 25 -9.724 -8.863 16.910 1.00 0.00 C ATOM 0 H VAL A 25 -9.184 -8.867 14.197 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.707 -6.611 15.823 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.876 -9.526 16.064 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.506 -9.080 18.456 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.388 -8.157 17.423 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.785 -7.346 18.170 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.760 -9.652 17.661 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.149 -7.949 17.324 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.299 -9.167 16.036 1.00 0.00 H new ATOM 379 N GLU A 26 -6.087 -7.994 14.371 1.00 0.00 N ATOM 380 CA GLU A 26 -4.685 -7.808 14.012 1.00 0.00 C ATOM 381 C GLU A 26 -4.551 -6.572 13.147 1.00 0.00 C ATOM 382 O GLU A 26 -3.619 -5.788 13.278 1.00 0.00 O ATOM 383 CB GLU A 26 -4.193 -9.022 13.238 1.00 0.00 C ATOM 384 CG GLU A 26 -4.149 -10.297 14.052 1.00 0.00 C ATOM 385 CD GLU A 26 -3.891 -11.504 13.190 1.00 0.00 C ATOM 386 OE1 GLU A 26 -4.801 -11.886 12.424 1.00 0.00 O ATOM 387 OE2 GLU A 26 -2.788 -12.082 13.271 1.00 0.00 O ATOM 0 H GLU A 26 -6.514 -8.825 13.963 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.089 -7.689 14.917 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.841 -9.177 12.375 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.194 -8.814 12.854 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.369 -10.218 14.809 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.094 -10.423 14.580 1.00 0.00 H new ATOM 394 N ILE A 27 -5.504 -6.423 12.270 1.00 0.00 N ATOM 395 CA ILE A 27 -5.574 -5.315 11.351 1.00 0.00 C ATOM 396 C ILE A 27 -5.732 -3.987 12.083 1.00 0.00 C ATOM 397 O ILE A 27 -5.042 -3.020 11.777 1.00 0.00 O ATOM 398 CB ILE A 27 -6.730 -5.531 10.345 1.00 0.00 C ATOM 399 CG1 ILE A 27 -6.379 -6.692 9.407 1.00 0.00 C ATOM 400 CG2 ILE A 27 -7.016 -4.257 9.549 1.00 0.00 C ATOM 401 CD1 ILE A 27 -7.534 -7.178 8.565 1.00 0.00 C ATOM 0 H ILE A 27 -6.274 -7.084 12.170 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.633 -5.271 10.802 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.636 -5.778 10.899 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.569 -6.379 8.747 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.002 -7.524 10.002 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.833 -4.440 8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.296 -3.456 10.233 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.123 -3.966 8.995 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.201 -7.999 7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.338 -7.524 9.215 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.898 -6.362 7.941 1.00 0.00 H new ATOM 413 N LYS A 28 -6.631 -3.944 13.057 1.00 0.00 N ATOM 414 CA LYS A 28 -6.861 -2.721 13.805 1.00 0.00 C ATOM 415 C LYS A 28 -5.676 -2.346 14.656 1.00 0.00 C ATOM 416 O LYS A 28 -5.345 -1.181 14.759 1.00 0.00 O ATOM 417 CB LYS A 28 -8.087 -2.821 14.677 1.00 0.00 C ATOM 418 CG LYS A 28 -9.373 -2.893 13.910 1.00 0.00 C ATOM 419 CD LYS A 28 -10.532 -2.946 14.848 1.00 0.00 C ATOM 420 CE LYS A 28 -11.843 -3.038 14.092 1.00 0.00 C ATOM 421 NZ LYS A 28 -13.007 -3.099 15.003 1.00 0.00 N ATOM 0 H LYS A 28 -7.207 -4.735 13.344 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.017 -1.940 13.061 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.001 -3.706 15.308 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.120 -1.958 15.342 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.464 -2.025 13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.374 -3.775 13.270 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.429 -3.806 15.510 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.534 -2.057 15.479 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.943 -2.175 13.434 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.833 -3.924 13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.882 -3.161 14.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.926 -3.937 15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.032 -2.242 15.592 1.00 0.00 H new ATOM 435 N LYS A 29 -5.043 -3.328 15.283 1.00 0.00 N ATOM 436 CA LYS A 29 -3.890 -3.040 16.119 1.00 0.00 C ATOM 437 C LYS A 29 -2.742 -2.568 15.261 1.00 0.00 C ATOM 438 O LYS A 29 -2.000 -1.673 15.642 1.00 0.00 O ATOM 439 CB LYS A 29 -3.492 -4.266 16.965 1.00 0.00 C ATOM 440 CG LYS A 29 -3.029 -5.462 16.143 1.00 0.00 C ATOM 441 CD LYS A 29 -2.861 -6.722 16.981 1.00 0.00 C ATOM 442 CE LYS A 29 -1.772 -6.576 18.026 1.00 0.00 C ATOM 443 NZ LYS A 29 -1.577 -7.832 18.789 1.00 0.00 N ATOM 0 H LYS A 29 -5.303 -4.313 15.230 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.154 -2.244 16.815 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.695 -3.978 17.650 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.344 -4.566 17.575 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.750 -5.653 15.349 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.081 -5.222 15.662 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.805 -6.957 17.473 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.624 -7.562 16.327 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.837 -6.295 17.541 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.031 -5.769 18.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.825 -7.696 19.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.463 -8.086 19.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.306 -8.596 18.137 1.00 0.00 H new ATOM 457 N ALA A 30 -2.603 -3.174 14.100 1.00 0.00 N ATOM 458 CA ALA A 30 -1.622 -2.764 13.146 1.00 0.00 C ATOM 459 C ALA A 30 -1.908 -1.365 12.666 1.00 0.00 C ATOM 460 O ALA A 30 -1.005 -0.564 12.518 1.00 0.00 O ATOM 461 CB ALA A 30 -1.579 -3.725 11.988 1.00 0.00 C ATOM 0 H ALA A 30 -3.173 -3.965 13.801 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.645 -2.768 13.630 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.826 -3.397 11.271 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.325 -4.721 12.351 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.554 -3.754 11.502 1.00 0.00 H new ATOM 467 N TYR A 31 -3.176 -1.072 12.418 1.00 0.00 N ATOM 468 CA TYR A 31 -3.571 0.256 12.016 1.00 0.00 C ATOM 469 C TYR A 31 -3.294 1.253 13.115 1.00 0.00 C ATOM 470 O TYR A 31 -2.670 2.279 12.879 1.00 0.00 O ATOM 471 CB TYR A 31 -5.046 0.305 11.622 1.00 0.00 C ATOM 472 CG TYR A 31 -5.557 1.715 11.390 1.00 0.00 C ATOM 473 CD1 TYR A 31 -5.185 2.437 10.263 1.00 0.00 C ATOM 474 CD2 TYR A 31 -6.408 2.323 12.307 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.645 3.725 10.059 1.00 0.00 C ATOM 476 CE2 TYR A 31 -6.872 3.607 12.108 1.00 0.00 C ATOM 477 CZ TYR A 31 -6.489 4.304 10.984 1.00 0.00 C ATOM 478 OH TYR A 31 -6.946 5.585 10.786 1.00 0.00 O ATOM 0 H TYR A 31 -3.943 -1.740 12.490 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.977 0.522 11.141 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -5.193 -0.281 10.715 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -5.640 -0.166 12.405 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.527 1.986 9.535 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.711 1.780 13.190 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.345 4.275 9.179 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.533 4.063 12.830 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.531 5.842 11.529 1.00 0.00 H new ATOM 488 N ARG A 32 -3.748 0.940 14.333 1.00 0.00 N ATOM 489 CA ARG A 32 -3.550 1.848 15.444 1.00 0.00 C ATOM 490 C ARG A 32 -2.065 2.059 15.729 1.00 0.00 C ATOM 491 O ARG A 32 -1.657 3.145 16.090 1.00 0.00 O ATOM 492 CB ARG A 32 -4.323 1.392 16.708 1.00 0.00 C ATOM 493 CG ARG A 32 -3.739 0.195 17.445 1.00 0.00 C ATOM 494 CD ARG A 32 -2.760 0.627 18.529 1.00 0.00 C ATOM 495 NE ARG A 32 -2.181 -0.516 19.231 1.00 0.00 N ATOM 496 CZ ARG A 32 -1.391 -0.424 20.304 1.00 0.00 C ATOM 497 NH1 ARG A 32 -1.130 0.760 20.846 1.00 0.00 N ATOM 498 NH2 ARG A 32 -0.888 -1.520 20.850 1.00 0.00 N ATOM 0 H ARG A 32 -4.245 0.079 14.563 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.966 2.813 15.154 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.376 2.231 17.401 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.346 1.153 16.419 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.545 -0.386 17.893 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.232 -0.458 16.735 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.962 1.220 18.082 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.272 1.270 19.244 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.395 -1.449 18.877 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.534 1.606 20.443 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.526 0.824 21.665 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.104 -2.434 20.451 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.285 -1.451 21.669 1.00 0.00 H new ATOM 512 N LYS A 33 -1.260 1.023 15.543 1.00 0.00 N ATOM 513 CA LYS A 33 0.172 1.155 15.765 1.00 0.00 C ATOM 514 C LYS A 33 0.831 1.896 14.620 1.00 0.00 C ATOM 515 O LYS A 33 1.541 2.842 14.849 1.00 0.00 O ATOM 516 CB LYS A 33 0.827 -0.221 16.028 1.00 0.00 C ATOM 517 CG LYS A 33 1.077 -1.060 14.786 1.00 0.00 C ATOM 518 CD LYS A 33 1.372 -2.513 15.130 1.00 0.00 C ATOM 519 CE LYS A 33 2.617 -2.648 15.977 1.00 0.00 C ATOM 520 NZ LYS A 33 2.939 -4.063 16.272 1.00 0.00 N ATOM 0 H LYS A 33 -1.567 0.097 15.244 1.00 0.00 H new ATOM 0 HA LYS A 33 0.325 1.753 16.664 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.777 -0.063 16.539 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.190 -0.786 16.708 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.205 -1.012 14.134 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.915 -0.642 14.229 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.522 -2.940 15.662 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.494 -3.087 14.211 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.458 -2.185 15.461 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.479 -2.105 16.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.799 -4.109 16.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.148 -4.499 16.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.096 -4.576 15.381 1.00 0.00 H new ATOM 534 N CYS A 34 0.541 1.514 13.392 1.00 0.00 N ATOM 535 CA CYS A 34 1.165 2.166 12.247 1.00 0.00 C ATOM 536 C CYS A 34 0.787 3.643 12.181 1.00 0.00 C ATOM 537 O CYS A 34 1.645 4.506 11.964 1.00 0.00 O ATOM 538 CB CYS A 34 0.781 1.457 10.949 1.00 0.00 C ATOM 539 SG CYS A 34 1.503 -0.194 10.774 1.00 0.00 S ATOM 0 H CYS A 34 -0.113 0.767 13.158 1.00 0.00 H new ATOM 0 HA CYS A 34 2.246 2.100 12.372 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.305 1.375 10.899 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.094 2.071 10.105 1.00 0.00 H new ATOM 0 HG CYS A 34 0.801 -1.049 11.457 1.00 0.00 H new ATOM 545 N ALA A 35 -0.494 3.931 12.392 1.00 0.00 N ATOM 546 CA ALA A 35 -0.974 5.300 12.372 1.00 0.00 C ATOM 547 C ALA A 35 -0.375 6.120 13.512 1.00 0.00 C ATOM 548 O ALA A 35 0.125 7.193 13.295 1.00 0.00 O ATOM 549 CB ALA A 35 -2.493 5.324 12.444 1.00 0.00 C ATOM 0 H ALA A 35 -1.214 3.233 12.578 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.654 5.754 11.434 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.842 6.357 12.428 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.906 4.788 11.589 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.821 4.844 13.366 1.00 0.00 H new ATOM 555 N LEU A 36 -0.420 5.582 14.720 1.00 0.00 N ATOM 556 CA LEU A 36 0.112 6.282 15.885 1.00 0.00 C ATOM 557 C LEU A 36 1.628 6.435 15.837 1.00 0.00 C ATOM 558 O LEU A 36 2.166 7.440 16.273 1.00 0.00 O ATOM 559 CB LEU A 36 -0.337 5.630 17.190 1.00 0.00 C ATOM 560 CG LEU A 36 -1.829 5.778 17.526 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.186 4.963 18.758 1.00 0.00 C ATOM 562 CD2 LEU A 36 -2.193 7.243 17.734 1.00 0.00 C ATOM 0 H LEU A 36 -0.818 4.665 14.923 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.307 7.288 15.853 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.096 4.568 17.146 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.245 6.056 18.007 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.405 5.397 16.682 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.247 5.082 18.978 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.970 3.911 18.573 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.598 5.311 19.607 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.254 7.324 17.971 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.605 7.651 18.557 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.980 7.804 16.824 1.00 0.00 H new ATOM 574 N LYS A 37 2.309 5.430 15.345 1.00 0.00 N ATOM 575 CA LYS A 37 3.763 5.470 15.252 1.00 0.00 C ATOM 576 C LYS A 37 4.275 6.545 14.267 1.00 0.00 C ATOM 577 O LYS A 37 5.254 7.228 14.554 1.00 0.00 O ATOM 578 CB LYS A 37 4.301 4.091 14.867 1.00 0.00 C ATOM 579 CG LYS A 37 4.172 3.049 15.975 1.00 0.00 C ATOM 580 CD LYS A 37 4.492 1.657 15.472 1.00 0.00 C ATOM 581 CE LYS A 37 5.943 1.550 15.023 1.00 0.00 C ATOM 582 NZ LYS A 37 6.276 0.192 14.533 1.00 0.00 N ATOM 0 H LYS A 37 1.886 4.568 15.000 1.00 0.00 H new ATOM 0 HA LYS A 37 4.138 5.748 16.237 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.769 3.737 13.984 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.351 4.185 14.590 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.844 3.304 16.795 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.159 3.067 16.376 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.299 0.930 16.261 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.833 1.408 14.640 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.132 2.277 14.233 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.599 1.806 15.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.273 0.164 14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.121 -0.499 15.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.668 -0.043 13.723 1.00 0.00 H new ATOM 596 N TYR A 38 3.620 6.678 13.107 1.00 0.00 N ATOM 597 CA TYR A 38 4.075 7.630 12.074 1.00 0.00 C ATOM 598 C TYR A 38 3.052 8.720 11.728 1.00 0.00 C ATOM 599 O TYR A 38 3.138 9.341 10.675 1.00 0.00 O ATOM 600 CB TYR A 38 4.490 6.854 10.826 1.00 0.00 C ATOM 601 CG TYR A 38 5.708 5.985 11.050 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.579 4.673 11.494 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.988 6.475 10.824 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.690 3.879 11.702 1.00 0.00 C ATOM 605 CE2 TYR A 38 8.103 5.685 11.030 1.00 0.00 C ATOM 606 CZ TYR A 38 7.948 4.389 11.468 1.00 0.00 C ATOM 607 OH TYR A 38 9.057 3.595 11.670 1.00 0.00 O ATOM 0 H TYR A 38 2.784 6.149 12.858 1.00 0.00 H new ATOM 0 HA TYR A 38 4.928 8.167 12.490 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.659 6.229 10.500 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.695 7.557 10.019 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.595 4.269 11.679 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.114 7.491 10.481 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.573 2.862 12.047 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.091 6.082 10.848 1.00 0.00 H new ATOM 0 HH TYR A 38 9.867 4.105 11.459 1.00 0.00 H new ATOM 617 N HIS A 39 2.109 8.957 12.613 1.00 0.00 N ATOM 618 CA HIS A 39 1.089 10.006 12.403 1.00 0.00 C ATOM 619 C HIS A 39 1.714 11.399 12.277 1.00 0.00 C ATOM 620 O HIS A 39 2.674 11.716 12.963 1.00 0.00 O ATOM 621 CB HIS A 39 0.078 10.014 13.567 1.00 0.00 C ATOM 622 CG HIS A 39 0.695 10.229 14.926 1.00 0.00 C ATOM 623 ND1 HIS A 39 -0.036 10.573 16.040 1.00 0.00 N ATOM 624 CD2 HIS A 39 1.976 10.100 15.354 1.00 0.00 C ATOM 625 CE1 HIS A 39 0.770 10.641 17.086 1.00 0.00 C ATOM 626 NE2 HIS A 39 1.992 10.354 16.695 1.00 0.00 N ATOM 0 H HIS A 39 2.012 8.447 13.491 1.00 0.00 H new ATOM 0 HA HIS A 39 0.581 9.771 11.468 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.658 10.798 13.387 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.460 9.066 13.571 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -1.041 10.748 16.056 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.829 9.843 14.744 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.474 10.891 18.094 1.00 0.00 H new ATOM 634 N PRO A 40 1.124 12.265 11.440 1.00 0.00 N ATOM 635 CA PRO A 40 1.615 13.639 11.232 1.00 0.00 C ATOM 636 C PRO A 40 1.514 14.486 12.505 1.00 0.00 C ATOM 637 O PRO A 40 2.129 15.546 12.613 1.00 0.00 O ATOM 638 CB PRO A 40 0.684 14.191 10.142 1.00 0.00 C ATOM 639 CG PRO A 40 -0.538 13.344 10.224 1.00 0.00 C ATOM 640 CD PRO A 40 -0.058 11.976 10.604 1.00 0.00 C ATOM 0 HA PRO A 40 2.669 13.660 10.957 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.450 15.241 10.316 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.146 14.126 9.157 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.236 13.734 10.965 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.065 13.323 9.270 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.817 11.420 11.155 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.201 11.381 9.729 1.00 0.00 H new ATOM 648 N ASP A 41 0.730 13.997 13.464 1.00 0.00 N ATOM 649 CA ASP A 41 0.515 14.684 14.744 1.00 0.00 C ATOM 650 C ASP A 41 1.802 14.776 15.561 1.00 0.00 C ATOM 651 O ASP A 41 1.949 15.660 16.401 1.00 0.00 O ATOM 652 CB ASP A 41 -0.563 13.970 15.562 1.00 0.00 C ATOM 653 CG ASP A 41 -1.926 14.028 14.911 1.00 0.00 C ATOM 654 OD1 ASP A 41 -2.410 15.141 14.627 1.00 0.00 O ATOM 655 OD2 ASP A 41 -2.525 12.958 14.682 1.00 0.00 O ATOM 0 H ASP A 41 0.225 13.115 13.380 1.00 0.00 H new ATOM 0 HA ASP A 41 0.185 15.697 14.515 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.276 12.928 15.702 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.619 14.421 16.553 1.00 0.00 H new ATOM 660 N LYS A 42 2.729 13.873 15.302 1.00 0.00 N ATOM 661 CA LYS A 42 3.999 13.848 16.017 1.00 0.00 C ATOM 662 C LYS A 42 5.149 13.642 15.054 1.00 0.00 C ATOM 663 O LYS A 42 6.283 14.017 15.336 1.00 0.00 O ATOM 664 CB LYS A 42 4.026 12.768 17.092 1.00 0.00 C ATOM 665 CG LYS A 42 3.125 13.037 18.274 1.00 0.00 C ATOM 666 CD LYS A 42 3.279 11.940 19.307 1.00 0.00 C ATOM 667 CE LYS A 42 2.412 12.174 20.526 1.00 0.00 C ATOM 668 NZ LYS A 42 2.582 11.093 21.523 1.00 0.00 N ATOM 0 H LYS A 42 2.629 13.142 14.598 1.00 0.00 H new ATOM 0 HA LYS A 42 4.109 14.814 16.509 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.739 11.818 16.642 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.049 12.655 17.450 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.372 14.002 18.717 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.088 13.094 17.945 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.019 10.982 18.858 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.323 11.876 19.613 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.668 13.132 20.978 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.366 12.233 20.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.975 11.282 22.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.315 10.183 21.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.576 11.054 21.827 1.00 0.00 H new ATOM 682 N ASN A 43 4.850 13.040 13.925 1.00 0.00 N ATOM 683 CA ASN A 43 5.837 12.782 12.909 1.00 0.00 C ATOM 684 C ASN A 43 5.650 13.768 11.773 1.00 0.00 C ATOM 685 O ASN A 43 4.707 13.660 10.994 1.00 0.00 O ATOM 686 CB ASN A 43 5.678 11.347 12.399 1.00 0.00 C ATOM 687 CG ASN A 43 5.883 10.314 13.488 1.00 0.00 C ATOM 688 OD1 ASN A 43 4.991 10.062 14.299 1.00 0.00 O ATOM 689 ND2 ASN A 43 7.052 9.696 13.506 1.00 0.00 N ATOM 0 H ASN A 43 3.912 12.716 13.688 1.00 0.00 H new ATOM 0 HA ASN A 43 6.839 12.900 13.323 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.683 11.226 11.971 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.394 11.170 11.596 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.241 8.982 14.209 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.765 9.934 12.816 1.00 0.00 H new ATOM 696 N PRO A 44 6.540 14.761 11.677 1.00 0.00 N ATOM 697 CA PRO A 44 6.459 15.805 10.654 1.00 0.00 C ATOM 698 C PRO A 44 6.963 15.344 9.292 1.00 0.00 C ATOM 699 O PRO A 44 6.770 16.023 8.281 1.00 0.00 O ATOM 700 CB PRO A 44 7.363 16.896 11.216 1.00 0.00 C ATOM 701 CG PRO A 44 8.398 16.154 11.987 1.00 0.00 C ATOM 702 CD PRO A 44 7.701 14.957 12.575 1.00 0.00 C ATOM 0 HA PRO A 44 5.431 16.120 10.472 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.810 17.491 10.420 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.808 17.583 11.854 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.221 15.848 11.341 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.824 16.781 12.770 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.350 14.081 12.590 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.388 15.139 13.603 1.00 0.00 H new ATOM 710 N SER A 45 7.616 14.198 9.271 1.00 0.00 N ATOM 711 CA SER A 45 8.189 13.677 8.055 1.00 0.00 C ATOM 712 C SER A 45 7.114 13.325 7.057 1.00 0.00 C ATOM 713 O SER A 45 6.083 12.740 7.399 1.00 0.00 O ATOM 714 CB SER A 45 9.004 12.456 8.354 1.00 0.00 C ATOM 715 OG SER A 45 9.717 12.613 9.575 1.00 0.00 O ATOM 0 H SER A 45 7.761 13.610 10.091 1.00 0.00 H new ATOM 0 HA SER A 45 8.826 14.450 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.352 11.584 8.417 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.704 12.272 7.539 1.00 0.00 H new ATOM 0 HG SER A 45 10.242 11.805 9.754 1.00 0.00 H new ATOM 721 N GLU A 46 7.370 13.679 5.836 1.00 0.00 N ATOM 722 CA GLU A 46 6.463 13.417 4.742 1.00 0.00 C ATOM 723 C GLU A 46 6.283 11.926 4.558 1.00 0.00 C ATOM 724 O GLU A 46 5.183 11.453 4.370 1.00 0.00 O ATOM 725 CB GLU A 46 6.999 14.049 3.459 1.00 0.00 C ATOM 726 CG GLU A 46 6.973 15.563 3.475 1.00 0.00 C ATOM 727 CD GLU A 46 5.579 16.108 3.640 1.00 0.00 C ATOM 728 OE1 GLU A 46 4.740 15.880 2.746 1.00 0.00 O ATOM 729 OE2 GLU A 46 5.306 16.754 4.669 1.00 0.00 O ATOM 0 H GLU A 46 8.223 14.165 5.559 1.00 0.00 H new ATOM 0 HA GLU A 46 5.493 13.857 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.023 13.713 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.410 13.692 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.602 15.927 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.401 15.942 2.547 1.00 0.00 H new ATOM 736 N GLU A 47 7.380 11.202 4.675 1.00 0.00 N ATOM 737 CA GLU A 47 7.404 9.748 4.538 1.00 0.00 C ATOM 738 C GLU A 47 6.516 9.118 5.586 1.00 0.00 C ATOM 739 O GLU A 47 5.771 8.184 5.312 1.00 0.00 O ATOM 740 CB GLU A 47 8.827 9.270 4.787 1.00 0.00 C ATOM 741 CG GLU A 47 9.847 9.669 3.728 1.00 0.00 C ATOM 742 CD GLU A 47 9.722 8.878 2.456 1.00 0.00 C ATOM 743 OE1 GLU A 47 10.152 7.701 2.440 1.00 0.00 O ATOM 744 OE2 GLU A 47 9.209 9.418 1.463 1.00 0.00 O ATOM 0 H GLU A 47 8.295 11.608 4.871 1.00 0.00 H new ATOM 0 HA GLU A 47 7.057 9.471 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.159 9.657 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.818 8.183 4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.730 10.729 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.851 9.538 4.132 1.00 0.00 H new ATOM 751 N ALA A 48 6.610 9.645 6.786 1.00 0.00 N ATOM 752 CA ALA A 48 5.837 9.142 7.912 1.00 0.00 C ATOM 753 C ALA A 48 4.375 9.338 7.655 1.00 0.00 C ATOM 754 O ALA A 48 3.552 8.447 7.874 1.00 0.00 O ATOM 755 CB ALA A 48 6.258 9.837 9.196 1.00 0.00 C ATOM 0 H ALA A 48 7.220 10.430 7.014 1.00 0.00 H new ATOM 0 HA ALA A 48 6.029 8.075 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.671 9.450 10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.316 9.651 9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.090 10.910 9.101 1.00 0.00 H new ATOM 761 N ALA A 49 4.076 10.494 7.153 1.00 0.00 N ATOM 762 CA ALA A 49 2.727 10.862 6.799 1.00 0.00 C ATOM 763 C ALA A 49 2.210 9.960 5.692 1.00 0.00 C ATOM 764 O ALA A 49 1.046 9.548 5.697 1.00 0.00 O ATOM 765 CB ALA A 49 2.670 12.321 6.382 1.00 0.00 C ATOM 0 H ALA A 49 4.765 11.224 6.972 1.00 0.00 H new ATOM 0 HA ALA A 49 2.086 10.733 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.646 12.584 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.004 12.949 7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.319 12.479 5.521 1.00 0.00 H new ATOM 771 N GLU A 50 3.086 9.656 4.737 1.00 0.00 N ATOM 772 CA GLU A 50 2.734 8.780 3.637 1.00 0.00 C ATOM 773 C GLU A 50 2.432 7.388 4.159 1.00 0.00 C ATOM 774 O GLU A 50 1.505 6.720 3.696 1.00 0.00 O ATOM 775 CB GLU A 50 3.859 8.724 2.618 1.00 0.00 C ATOM 776 CG GLU A 50 4.218 10.079 2.060 1.00 0.00 C ATOM 777 CD GLU A 50 4.791 10.000 0.672 1.00 0.00 C ATOM 778 OE1 GLU A 50 4.026 9.722 -0.269 1.00 0.00 O ATOM 779 OE2 GLU A 50 5.997 10.217 0.505 1.00 0.00 O ATOM 0 H GLU A 50 4.043 10.007 4.708 1.00 0.00 H new ATOM 0 HA GLU A 50 1.845 9.177 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.741 8.283 3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.568 8.066 1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.329 10.709 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.940 10.560 2.720 1.00 0.00 H new ATOM 786 N LYS A 51 3.213 6.968 5.140 1.00 0.00 N ATOM 787 CA LYS A 51 3.015 5.679 5.790 1.00 0.00 C ATOM 788 C LYS A 51 1.654 5.619 6.451 1.00 0.00 C ATOM 789 O LYS A 51 0.973 4.590 6.407 1.00 0.00 O ATOM 790 CB LYS A 51 4.082 5.447 6.831 1.00 0.00 C ATOM 791 CG LYS A 51 5.450 5.193 6.259 1.00 0.00 C ATOM 792 CD LYS A 51 6.475 5.061 7.357 1.00 0.00 C ATOM 793 CE LYS A 51 6.139 3.908 8.297 1.00 0.00 C ATOM 794 NZ LYS A 51 6.052 2.602 7.583 1.00 0.00 N ATOM 0 H LYS A 51 3.998 7.505 5.508 1.00 0.00 H new ATOM 0 HA LYS A 51 3.077 4.904 5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.130 6.316 7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.794 4.596 7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.435 4.283 5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.728 6.010 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.460 4.900 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.526 5.991 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.899 3.844 9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.190 4.112 8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.008 1.829 8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.196 2.586 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.891 2.479 6.981 1.00 0.00 H new ATOM 808 N PHE A 52 1.267 6.726 7.065 1.00 0.00 N ATOM 809 CA PHE A 52 -0.036 6.842 7.686 1.00 0.00 C ATOM 810 C PHE A 52 -1.115 6.598 6.639 1.00 0.00 C ATOM 811 O PHE A 52 -2.060 5.842 6.867 1.00 0.00 O ATOM 812 CB PHE A 52 -0.221 8.238 8.303 1.00 0.00 C ATOM 813 CG PHE A 52 -1.573 8.430 8.958 1.00 0.00 C ATOM 814 CD1 PHE A 52 -1.734 8.253 10.319 1.00 0.00 C ATOM 815 CD2 PHE A 52 -2.688 8.766 8.195 1.00 0.00 C ATOM 816 CE1 PHE A 52 -2.977 8.406 10.909 1.00 0.00 C ATOM 817 CE2 PHE A 52 -3.928 8.920 8.778 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.073 8.738 10.137 1.00 0.00 C ATOM 0 H PHE A 52 1.845 7.562 7.145 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.115 6.100 8.481 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.561 8.407 9.044 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.092 8.991 7.526 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.881 7.993 10.929 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.580 8.908 7.130 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.090 8.266 11.974 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.783 9.182 8.172 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.043 8.855 10.597 1.00 0.00 H new ATOM 828 N LYS A 53 -0.962 7.239 5.492 1.00 0.00 N ATOM 829 CA LYS A 53 -1.921 7.112 4.409 1.00 0.00 C ATOM 830 C LYS A 53 -1.988 5.672 3.898 1.00 0.00 C ATOM 831 O LYS A 53 -3.074 5.164 3.604 1.00 0.00 O ATOM 832 CB LYS A 53 -1.570 8.068 3.270 1.00 0.00 C ATOM 833 CG LYS A 53 -1.662 9.538 3.653 1.00 0.00 C ATOM 834 CD LYS A 53 -3.084 9.936 4.020 1.00 0.00 C ATOM 835 CE LYS A 53 -3.173 11.410 4.382 1.00 0.00 C ATOM 836 NZ LYS A 53 -4.551 11.815 4.748 1.00 0.00 N ATOM 0 H LYS A 53 -0.177 7.857 5.287 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.904 7.377 4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.558 7.854 2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.238 7.878 2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.000 9.737 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.315 10.153 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.750 9.725 3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.427 9.332 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.502 11.619 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.832 12.011 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.563 12.827 4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.189 11.641 3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.869 11.262 5.569 1.00 0.00 H new ATOM 850 N GLU A 54 -0.833 5.012 3.798 1.00 0.00 N ATOM 851 CA GLU A 54 -0.792 3.615 3.367 1.00 0.00 C ATOM 852 C GLU A 54 -1.483 2.724 4.378 1.00 0.00 C ATOM 853 O GLU A 54 -2.224 1.814 4.013 1.00 0.00 O ATOM 854 CB GLU A 54 0.640 3.148 3.175 1.00 0.00 C ATOM 855 CG GLU A 54 1.344 3.806 2.019 1.00 0.00 C ATOM 856 CD GLU A 54 2.761 3.306 1.845 1.00 0.00 C ATOM 857 OE1 GLU A 54 3.575 3.457 2.789 1.00 0.00 O ATOM 858 OE2 GLU A 54 3.070 2.762 0.767 1.00 0.00 O ATOM 0 H GLU A 54 0.079 5.418 4.008 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.315 3.547 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.201 3.343 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.643 2.069 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.782 3.622 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.359 4.885 2.173 1.00 0.00 H new ATOM 865 N ALA A 55 -1.252 3.009 5.653 1.00 0.00 N ATOM 866 CA ALA A 55 -1.865 2.251 6.727 1.00 0.00 C ATOM 867 C ALA A 55 -3.363 2.442 6.685 1.00 0.00 C ATOM 868 O ALA A 55 -4.135 1.508 6.891 1.00 0.00 O ATOM 869 CB ALA A 55 -1.307 2.690 8.075 1.00 0.00 C ATOM 0 H ALA A 55 -0.641 3.764 5.966 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.636 1.193 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.778 2.111 8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.230 2.524 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.514 3.749 8.227 1.00 0.00 H new ATOM 875 N SER A 56 -3.761 3.672 6.405 1.00 0.00 N ATOM 876 CA SER A 56 -5.152 4.028 6.312 1.00 0.00 C ATOM 877 C SER A 56 -5.822 3.305 5.141 1.00 0.00 C ATOM 878 O SER A 56 -6.900 2.757 5.294 1.00 0.00 O ATOM 879 CB SER A 56 -5.283 5.546 6.167 1.00 0.00 C ATOM 880 OG SER A 56 -4.761 6.201 7.313 1.00 0.00 O ATOM 0 H SER A 56 -3.121 4.448 6.237 1.00 0.00 H new ATOM 0 HA SER A 56 -5.661 3.716 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.751 5.880 5.276 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.331 5.815 6.032 1.00 0.00 H new ATOM 0 HG SER A 56 -3.782 6.169 7.290 1.00 0.00 H new ATOM 886 N ALA A 57 -5.152 3.276 3.979 1.00 0.00 N ATOM 887 CA ALA A 57 -5.690 2.584 2.798 1.00 0.00 C ATOM 888 C ALA A 57 -5.789 1.087 3.057 1.00 0.00 C ATOM 889 O ALA A 57 -6.761 0.424 2.663 1.00 0.00 O ATOM 890 CB ALA A 57 -4.831 2.863 1.574 1.00 0.00 C ATOM 0 H ALA A 57 -4.245 3.719 3.832 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.692 2.965 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.246 2.342 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.815 3.935 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.815 2.512 1.755 1.00 0.00 H new ATOM 896 N ALA A 58 -4.778 0.569 3.730 1.00 0.00 N ATOM 897 CA ALA A 58 -4.735 -0.823 4.097 1.00 0.00 C ATOM 898 C ALA A 58 -5.909 -1.135 4.976 1.00 0.00 C ATOM 899 O ALA A 58 -6.598 -2.103 4.772 1.00 0.00 O ATOM 900 CB ALA A 58 -3.442 -1.133 4.833 1.00 0.00 C ATOM 0 H ALA A 58 -3.966 1.107 4.035 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.777 -1.435 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.422 -2.188 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.593 -0.908 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.382 -0.525 5.736 1.00 0.00 H new ATOM 906 N TYR A 59 -6.159 -0.257 5.919 1.00 0.00 N ATOM 907 CA TYR A 59 -7.272 -0.387 6.832 1.00 0.00 C ATOM 908 C TYR A 59 -8.588 -0.302 6.082 1.00 0.00 C ATOM 909 O TYR A 59 -9.525 -0.993 6.401 1.00 0.00 O ATOM 910 CB TYR A 59 -7.191 0.689 7.904 1.00 0.00 C ATOM 911 CG TYR A 59 -8.169 0.523 9.037 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.974 -0.462 9.989 1.00 0.00 C ATOM 913 CD2 TYR A 59 -9.267 1.360 9.173 1.00 0.00 C ATOM 914 CE1 TYR A 59 -8.839 -0.615 11.043 1.00 0.00 C ATOM 915 CE2 TYR A 59 -10.145 1.211 10.229 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.925 0.221 11.163 1.00 0.00 C ATOM 917 OH TYR A 59 -10.793 0.070 12.221 1.00 0.00 O ATOM 0 H TYR A 59 -5.591 0.575 6.076 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.221 -1.363 7.314 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.181 0.700 8.313 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.357 1.660 7.438 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.125 -1.123 9.901 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.438 2.138 8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.668 -1.389 11.776 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.999 1.866 10.322 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.505 0.740 12.158 1.00 0.00 H new ATOM 927 N GLU A 60 -8.634 0.536 5.068 1.00 0.00 N ATOM 928 CA GLU A 60 -9.851 0.735 4.300 1.00 0.00 C ATOM 929 C GLU A 60 -10.334 -0.586 3.693 1.00 0.00 C ATOM 930 O GLU A 60 -11.528 -0.874 3.690 1.00 0.00 O ATOM 931 CB GLU A 60 -9.612 1.743 3.168 1.00 0.00 C ATOM 932 CG GLU A 60 -9.342 3.165 3.632 1.00 0.00 C ATOM 933 CD GLU A 60 -10.462 3.733 4.473 1.00 0.00 C ATOM 934 OE1 GLU A 60 -11.625 3.644 4.052 1.00 0.00 O ATOM 935 OE2 GLU A 60 -10.178 4.294 5.553 1.00 0.00 O ATOM 0 H GLU A 60 -7.840 1.094 4.753 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.612 1.119 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.766 1.404 2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.484 1.748 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.417 3.184 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.189 3.803 2.761 1.00 0.00 H new ATOM 942 N ILE A 61 -9.410 -1.380 3.187 1.00 0.00 N ATOM 943 CA ILE A 61 -9.778 -2.658 2.597 1.00 0.00 C ATOM 944 C ILE A 61 -9.719 -3.789 3.608 1.00 0.00 C ATOM 945 O ILE A 61 -10.644 -4.574 3.727 1.00 0.00 O ATOM 946 CB ILE A 61 -8.913 -2.987 1.360 1.00 0.00 C ATOM 947 CG1 ILE A 61 -7.422 -2.833 1.680 1.00 0.00 C ATOM 948 CG2 ILE A 61 -9.311 -2.107 0.182 1.00 0.00 C ATOM 949 CD1 ILE A 61 -6.512 -3.250 0.556 1.00 0.00 C ATOM 0 H ILE A 61 -8.412 -1.170 3.171 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.813 -2.561 2.268 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.090 -4.027 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.220 -1.792 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.187 -3.426 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.692 -2.352 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -10.359 -2.279 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.167 -1.059 0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.474 -3.112 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.684 -4.300 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.718 -2.641 -0.324 1.00 0.00 H new ATOM 961 N LEU A 62 -8.636 -3.849 4.332 1.00 0.00 N ATOM 962 CA LEU A 62 -8.395 -4.898 5.298 1.00 0.00 C ATOM 963 C LEU A 62 -9.404 -4.906 6.458 1.00 0.00 C ATOM 964 O LEU A 62 -9.817 -5.970 6.903 1.00 0.00 O ATOM 965 CB LEU A 62 -6.969 -4.793 5.798 1.00 0.00 C ATOM 966 CG LEU A 62 -5.890 -4.995 4.723 1.00 0.00 C ATOM 967 CD1 LEU A 62 -4.502 -4.873 5.313 1.00 0.00 C ATOM 968 CD2 LEU A 62 -6.056 -6.325 4.012 1.00 0.00 C ATOM 0 H LEU A 62 -7.883 -3.164 4.271 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.538 -5.854 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.830 -3.812 6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.820 -5.532 6.585 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.016 -4.204 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.759 -5.021 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.378 -3.882 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.368 -5.629 6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.276 -6.435 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.978 -7.137 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.033 -6.361 3.531 1.00 0.00 H new ATOM 980 N SER A 63 -9.814 -3.724 6.933 1.00 0.00 N ATOM 981 CA SER A 63 -10.792 -3.631 8.036 1.00 0.00 C ATOM 982 C SER A 63 -12.159 -4.178 7.601 1.00 0.00 C ATOM 983 O SER A 63 -13.066 -4.339 8.419 1.00 0.00 O ATOM 984 CB SER A 63 -10.927 -2.180 8.521 1.00 0.00 C ATOM 985 OG SER A 63 -11.777 -2.079 9.658 1.00 0.00 O ATOM 0 H SER A 63 -9.491 -2.824 6.579 1.00 0.00 H new ATOM 0 HA SER A 63 -10.426 -4.239 8.863 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.941 -1.786 8.768 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.324 -1.563 7.715 1.00 0.00 H new ATOM 0 HG SER A 63 -11.410 -1.419 10.283 1.00 0.00 H new ATOM 991 N ASP A 64 -12.295 -4.458 6.314 1.00 0.00 N ATOM 992 CA ASP A 64 -13.504 -5.041 5.776 1.00 0.00 C ATOM 993 C ASP A 64 -13.164 -6.395 5.224 1.00 0.00 C ATOM 994 O ASP A 64 -12.547 -6.492 4.203 1.00 0.00 O ATOM 995 CB ASP A 64 -14.153 -4.173 4.683 1.00 0.00 C ATOM 996 CG ASP A 64 -14.760 -2.887 5.203 1.00 0.00 C ATOM 997 OD1 ASP A 64 -15.498 -2.933 6.209 1.00 0.00 O ATOM 998 OD2 ASP A 64 -14.537 -1.829 4.587 1.00 0.00 O ATOM 0 H ASP A 64 -11.569 -4.286 5.618 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.235 -5.115 6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.402 -3.931 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.929 -4.754 4.184 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.577 -7.454 5.899 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.240 -8.848 5.532 1.00 0.00 C ATOM 1005 C PRO A 65 -13.579 -9.167 4.085 1.00 0.00 C ATOM 1006 O PRO A 65 -12.907 -9.959 3.434 1.00 0.00 O ATOM 1007 CB PRO A 65 -14.118 -9.663 6.466 1.00 0.00 C ATOM 1008 CG PRO A 65 -14.322 -8.774 7.636 1.00 0.00 C ATOM 1009 CD PRO A 65 -14.408 -7.389 7.090 1.00 0.00 C ATOM 0 HA PRO A 65 -12.173 -9.051 5.625 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.065 -9.926 5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.635 -10.597 6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.233 -9.039 8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.497 -8.864 8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.435 -7.113 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.037 -6.651 7.801 1.00 0.00 H new ATOM 1017 N GLU A 66 -14.590 -8.503 3.582 1.00 0.00 N ATOM 1018 CA GLU A 66 -15.041 -8.717 2.229 1.00 0.00 C ATOM 1019 C GLU A 66 -14.083 -8.066 1.260 1.00 0.00 C ATOM 1020 O GLU A 66 -13.802 -8.594 0.196 1.00 0.00 O ATOM 1021 CB GLU A 66 -16.456 -8.182 2.058 1.00 0.00 C ATOM 1022 CG GLU A 66 -16.638 -6.769 2.589 1.00 0.00 C ATOM 1023 CD GLU A 66 -18.040 -6.257 2.400 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -18.898 -6.526 3.262 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -18.294 -5.585 1.386 1.00 0.00 O ATOM 0 H GLU A 66 -15.122 -7.801 4.097 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.061 -9.786 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.718 -8.201 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.152 -8.847 2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.387 -6.748 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.940 -6.102 2.083 1.00 0.00 H new ATOM 1032 N LYS A 67 -13.537 -6.949 1.674 1.00 0.00 N ATOM 1033 CA LYS A 67 -12.605 -6.206 0.890 1.00 0.00 C ATOM 1034 C LYS A 67 -11.234 -6.791 1.079 1.00 0.00 C ATOM 1035 O LYS A 67 -10.356 -6.663 0.232 1.00 0.00 O ATOM 1036 CB LYS A 67 -12.635 -4.760 1.348 1.00 0.00 C ATOM 1037 CG LYS A 67 -13.954 -4.049 1.083 1.00 0.00 C ATOM 1038 CD LYS A 67 -14.255 -3.969 -0.407 1.00 0.00 C ATOM 1039 CE LYS A 67 -15.499 -3.136 -0.687 1.00 0.00 C ATOM 1040 NZ LYS A 67 -16.719 -3.714 -0.065 1.00 0.00 N ATOM 0 H LYS A 67 -13.737 -6.531 2.582 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.864 -6.253 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.424 -4.725 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.835 -4.215 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.761 -4.577 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.917 -3.044 1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.402 -3.535 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.393 -4.974 -0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.348 -2.124 -0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.646 -3.058 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.470 -3.791 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.502 -4.658 0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.040 -3.097 0.708 1.00 0.00 H new ATOM 1054 N ARG A 68 -11.071 -7.446 2.207 1.00 0.00 N ATOM 1055 CA ARG A 68 -9.854 -8.093 2.564 1.00 0.00 C ATOM 1056 C ARG A 68 -9.672 -9.292 1.654 1.00 0.00 C ATOM 1057 O ARG A 68 -8.590 -9.538 1.170 1.00 0.00 O ATOM 1058 CB ARG A 68 -9.924 -8.538 4.027 1.00 0.00 C ATOM 1059 CG ARG A 68 -8.595 -8.508 4.760 1.00 0.00 C ATOM 1060 CD ARG A 68 -8.298 -9.819 5.473 1.00 0.00 C ATOM 1061 NE ARG A 68 -7.786 -10.848 4.559 1.00 0.00 N ATOM 1062 CZ ARG A 68 -7.771 -12.156 4.830 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -8.284 -12.609 5.970 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -7.228 -13.010 3.968 1.00 0.00 N ATOM 0 H ARG A 68 -11.805 -7.538 2.909 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.009 -7.414 2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.630 -7.897 4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.323 -9.552 4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.796 -8.294 4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.602 -7.695 5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.568 -9.643 6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.206 -10.183 5.953 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.418 -10.544 3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.691 -11.957 6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.271 -13.608 6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.822 -12.667 3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.218 -14.008 4.177 1.00 0.00 H new ATOM 1078 N ASP A 69 -10.772 -10.036 1.425 1.00 0.00 N ATOM 1079 CA ASP A 69 -10.762 -11.179 0.503 1.00 0.00 C ATOM 1080 C ASP A 69 -10.568 -10.707 -0.904 1.00 0.00 C ATOM 1081 O ASP A 69 -9.879 -11.342 -1.701 1.00 0.00 O ATOM 1082 CB ASP A 69 -12.042 -12.013 0.599 1.00 0.00 C ATOM 1083 CG ASP A 69 -12.124 -12.829 1.864 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -11.210 -13.648 2.104 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -13.108 -12.679 2.617 1.00 0.00 O ATOM 0 H ASP A 69 -11.675 -9.863 1.867 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.929 -11.819 0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.905 -11.350 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.099 -12.680 -0.261 1.00 0.00 H new ATOM 1090 N ILE A 70 -11.191 -9.591 -1.213 1.00 0.00 N ATOM 1091 CA ILE A 70 -11.049 -8.979 -2.508 1.00 0.00 C ATOM 1092 C ILE A 70 -9.587 -8.611 -2.748 1.00 0.00 C ATOM 1093 O ILE A 70 -9.006 -8.971 -3.770 1.00 0.00 O ATOM 1094 CB ILE A 70 -11.949 -7.729 -2.606 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -13.429 -8.126 -2.693 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -11.554 -6.825 -3.772 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -13.773 -8.965 -3.908 1.00 0.00 C ATOM 0 H ILE A 70 -11.807 -9.087 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.361 -9.687 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.801 -7.153 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.699 -8.680 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -14.037 -7.221 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -12.215 -5.959 -3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.524 -6.492 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.640 -7.379 -4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.836 -9.204 -3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.536 -8.407 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -13.194 -9.888 -3.889 1.00 0.00 H new ATOM 1109 N TYR A 71 -8.987 -7.942 -1.781 1.00 0.00 N ATOM 1110 CA TYR A 71 -7.569 -7.605 -1.857 1.00 0.00 C ATOM 1111 C TYR A 71 -6.714 -8.868 -1.912 1.00 0.00 C ATOM 1112 O TYR A 71 -5.798 -8.980 -2.709 1.00 0.00 O ATOM 1113 CB TYR A 71 -7.140 -6.729 -0.683 1.00 0.00 C ATOM 1114 CG TYR A 71 -5.657 -6.437 -0.676 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -5.092 -5.613 -1.639 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -4.822 -6.989 0.288 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -3.741 -5.349 -1.644 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -3.467 -6.726 0.290 1.00 0.00 C ATOM 1119 CZ TYR A 71 -2.932 -5.908 -0.680 1.00 0.00 C ATOM 1120 OH TYR A 71 -1.582 -5.637 -0.682 1.00 0.00 O ATOM 0 H TYR A 71 -9.454 -7.620 -0.934 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.417 -7.038 -2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.690 -5.789 -0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.412 -7.222 0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.722 -5.172 -2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.240 -7.634 1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.317 -4.706 -2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.830 -7.159 1.047 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.097 -6.388 -0.280 1.00 0.00 H new